File: ref_e2.sdf

package info (click to toggle)
rdkit 201809.1%2Bdfsg-6
  • links: PTS, VCS
  • area: main
  • in suites: buster
  • size: 123,688 kB
  • sloc: cpp: 230,509; python: 70,501; java: 6,329; ansic: 5,427; sql: 1,899; yacc: 1,739; lex: 1,243; makefile: 445; xml: 229; fortran: 183; sh: 123; cs: 93
file content (4226 lines) | stat: -rw-r--r-- 162,547 bytes parent folder | download | duplicates (7)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
1001
1002
1003
1004
1005
1006
1007
1008
1009
1010
1011
1012
1013
1014
1015
1016
1017
1018
1019
1020
1021
1022
1023
1024
1025
1026
1027
1028
1029
1030
1031
1032
1033
1034
1035
1036
1037
1038
1039
1040
1041
1042
1043
1044
1045
1046
1047
1048
1049
1050
1051
1052
1053
1054
1055
1056
1057
1058
1059
1060
1061
1062
1063
1064
1065
1066
1067
1068
1069
1070
1071
1072
1073
1074
1075
1076
1077
1078
1079
1080
1081
1082
1083
1084
1085
1086
1087
1088
1089
1090
1091
1092
1093
1094
1095
1096
1097
1098
1099
1100
1101
1102
1103
1104
1105
1106
1107
1108
1109
1110
1111
1112
1113
1114
1115
1116
1117
1118
1119
1120
1121
1122
1123
1124
1125
1126
1127
1128
1129
1130
1131
1132
1133
1134
1135
1136
1137
1138
1139
1140
1141
1142
1143
1144
1145
1146
1147
1148
1149
1150
1151
1152
1153
1154
1155
1156
1157
1158
1159
1160
1161
1162
1163
1164
1165
1166
1167
1168
1169
1170
1171
1172
1173
1174
1175
1176
1177
1178
1179
1180
1181
1182
1183
1184
1185
1186
1187
1188
1189
1190
1191
1192
1193
1194
1195
1196
1197
1198
1199
1200
1201
1202
1203
1204
1205
1206
1207
1208
1209
1210
1211
1212
1213
1214
1215
1216
1217
1218
1219
1220
1221
1222
1223
1224
1225
1226
1227
1228
1229
1230
1231
1232
1233
1234
1235
1236
1237
1238
1239
1240
1241
1242
1243
1244
1245
1246
1247
1248
1249
1250
1251
1252
1253
1254
1255
1256
1257
1258
1259
1260
1261
1262
1263
1264
1265
1266
1267
1268
1269
1270
1271
1272
1273
1274
1275
1276
1277
1278
1279
1280
1281
1282
1283
1284
1285
1286
1287
1288
1289
1290
1291
1292
1293
1294
1295
1296
1297
1298
1299
1300
1301
1302
1303
1304
1305
1306
1307
1308
1309
1310
1311
1312
1313
1314
1315
1316
1317
1318
1319
1320
1321
1322
1323
1324
1325
1326
1327
1328
1329
1330
1331
1332
1333
1334
1335
1336
1337
1338
1339
1340
1341
1342
1343
1344
1345
1346
1347
1348
1349
1350
1351
1352
1353
1354
1355
1356
1357
1358
1359
1360
1361
1362
1363
1364
1365
1366
1367
1368
1369
1370
1371
1372
1373
1374
1375
1376
1377
1378
1379
1380
1381
1382
1383
1384
1385
1386
1387
1388
1389
1390
1391
1392
1393
1394
1395
1396
1397
1398
1399
1400
1401
1402
1403
1404
1405
1406
1407
1408
1409
1410
1411
1412
1413
1414
1415
1416
1417
1418
1419
1420
1421
1422
1423
1424
1425
1426
1427
1428
1429
1430
1431
1432
1433
1434
1435
1436
1437
1438
1439
1440
1441
1442
1443
1444
1445
1446
1447
1448
1449
1450
1451
1452
1453
1454
1455
1456
1457
1458
1459
1460
1461
1462
1463
1464
1465
1466
1467
1468
1469
1470
1471
1472
1473
1474
1475
1476
1477
1478
1479
1480
1481
1482
1483
1484
1485
1486
1487
1488
1489
1490
1491
1492
1493
1494
1495
1496
1497
1498
1499
1500
1501
1502
1503
1504
1505
1506
1507
1508
1509
1510
1511
1512
1513
1514
1515
1516
1517
1518
1519
1520
1521
1522
1523
1524
1525
1526
1527
1528
1529
1530
1531
1532
1533
1534
1535
1536
1537
1538
1539
1540
1541
1542
1543
1544
1545
1546
1547
1548
1549
1550
1551
1552
1553
1554
1555
1556
1557
1558
1559
1560
1561
1562
1563
1564
1565
1566
1567
1568
1569
1570
1571
1572
1573
1574
1575
1576
1577
1578
1579
1580
1581
1582
1583
1584
1585
1586
1587
1588
1589
1590
1591
1592
1593
1594
1595
1596
1597
1598
1599
1600
1601
1602
1603
1604
1605
1606
1607
1608
1609
1610
1611
1612
1613
1614
1615
1616
1617
1618
1619
1620
1621
1622
1623
1624
1625
1626
1627
1628
1629
1630
1631
1632
1633
1634
1635
1636
1637
1638
1639
1640
1641
1642
1643
1644
1645
1646
1647
1648
1649
1650
1651
1652
1653
1654
1655
1656
1657
1658
1659
1660
1661
1662
1663
1664
1665
1666
1667
1668
1669
1670
1671
1672
1673
1674
1675
1676
1677
1678
1679
1680
1681
1682
1683
1684
1685
1686
1687
1688
1689
1690
1691
1692
1693
1694
1695
1696
1697
1698
1699
1700
1701
1702
1703
1704
1705
1706
1707
1708
1709
1710
1711
1712
1713
1714
1715
1716
1717
1718
1719
1720
1721
1722
1723
1724
1725
1726
1727
1728
1729
1730
1731
1732
1733
1734
1735
1736
1737
1738
1739
1740
1741
1742
1743
1744
1745
1746
1747
1748
1749
1750
1751
1752
1753
1754
1755
1756
1757
1758
1759
1760
1761
1762
1763
1764
1765
1766
1767
1768
1769
1770
1771
1772
1773
1774
1775
1776
1777
1778
1779
1780
1781
1782
1783
1784
1785
1786
1787
1788
1789
1790
1791
1792
1793
1794
1795
1796
1797
1798
1799
1800
1801
1802
1803
1804
1805
1806
1807
1808
1809
1810
1811
1812
1813
1814
1815
1816
1817
1818
1819
1820
1821
1822
1823
1824
1825
1826
1827
1828
1829
1830
1831
1832
1833
1834
1835
1836
1837
1838
1839
1840
1841
1842
1843
1844
1845
1846
1847
1848
1849
1850
1851
1852
1853
1854
1855
1856
1857
1858
1859
1860
1861
1862
1863
1864
1865
1866
1867
1868
1869
1870
1871
1872
1873
1874
1875
1876
1877
1878
1879
1880
1881
1882
1883
1884
1885
1886
1887
1888
1889
1890
1891
1892
1893
1894
1895
1896
1897
1898
1899
1900
1901
1902
1903
1904
1905
1906
1907
1908
1909
1910
1911
1912
1913
1914
1915
1916
1917
1918
1919
1920
1921
1922
1923
1924
1925
1926
1927
1928
1929
1930
1931
1932
1933
1934
1935
1936
1937
1938
1939
1940
1941
1942
1943
1944
1945
1946
1947
1948
1949
1950
1951
1952
1953
1954
1955
1956
1957
1958
1959
1960
1961
1962
1963
1964
1965
1966
1967
1968
1969
1970
1971
1972
1973
1974
1975
1976
1977
1978
1979
1980
1981
1982
1983
1984
1985
1986
1987
1988
1989
1990
1991
1992
1993
1994
1995
1996
1997
1998
1999
2000
2001
2002
2003
2004
2005
2006
2007
2008
2009
2010
2011
2012
2013
2014
2015
2016
2017
2018
2019
2020
2021
2022
2023
2024
2025
2026
2027
2028
2029
2030
2031
2032
2033
2034
2035
2036
2037
2038
2039
2040
2041
2042
2043
2044
2045
2046
2047
2048
2049
2050
2051
2052
2053
2054
2055
2056
2057
2058
2059
2060
2061
2062
2063
2064
2065
2066
2067
2068
2069
2070
2071
2072
2073
2074
2075
2076
2077
2078
2079
2080
2081
2082
2083
2084
2085
2086
2087
2088
2089
2090
2091
2092
2093
2094
2095
2096
2097
2098
2099
2100
2101
2102
2103
2104
2105
2106
2107
2108
2109
2110
2111
2112
2113
2114
2115
2116
2117
2118
2119
2120
2121
2122
2123
2124
2125
2126
2127
2128
2129
2130
2131
2132
2133
2134
2135
2136
2137
2138
2139
2140
2141
2142
2143
2144
2145
2146
2147
2148
2149
2150
2151
2152
2153
2154
2155
2156
2157
2158
2159
2160
2161
2162
2163
2164
2165
2166
2167
2168
2169
2170
2171
2172
2173
2174
2175
2176
2177
2178
2179
2180
2181
2182
2183
2184
2185
2186
2187
2188
2189
2190
2191
2192
2193
2194
2195
2196
2197
2198
2199
2200
2201
2202
2203
2204
2205
2206
2207
2208
2209
2210
2211
2212
2213
2214
2215
2216
2217
2218
2219
2220
2221
2222
2223
2224
2225
2226
2227
2228
2229
2230
2231
2232
2233
2234
2235
2236
2237
2238
2239
2240
2241
2242
2243
2244
2245
2246
2247
2248
2249
2250
2251
2252
2253
2254
2255
2256
2257
2258
2259
2260
2261
2262
2263
2264
2265
2266
2267
2268
2269
2270
2271
2272
2273
2274
2275
2276
2277
2278
2279
2280
2281
2282
2283
2284
2285
2286
2287
2288
2289
2290
2291
2292
2293
2294
2295
2296
2297
2298
2299
2300
2301
2302
2303
2304
2305
2306
2307
2308
2309
2310
2311
2312
2313
2314
2315
2316
2317
2318
2319
2320
2321
2322
2323
2324
2325
2326
2327
2328
2329
2330
2331
2332
2333
2334
2335
2336
2337
2338
2339
2340
2341
2342
2343
2344
2345
2346
2347
2348
2349
2350
2351
2352
2353
2354
2355
2356
2357
2358
2359
2360
2361
2362
2363
2364
2365
2366
2367
2368
2369
2370
2371
2372
2373
2374
2375
2376
2377
2378
2379
2380
2381
2382
2383
2384
2385
2386
2387
2388
2389
2390
2391
2392
2393
2394
2395
2396
2397
2398
2399
2400
2401
2402
2403
2404
2405
2406
2407
2408
2409
2410
2411
2412
2413
2414
2415
2416
2417
2418
2419
2420
2421
2422
2423
2424
2425
2426
2427
2428
2429
2430
2431
2432
2433
2434
2435
2436
2437
2438
2439
2440
2441
2442
2443
2444
2445
2446
2447
2448
2449
2450
2451
2452
2453
2454
2455
2456
2457
2458
2459
2460
2461
2462
2463
2464
2465
2466
2467
2468
2469
2470
2471
2472
2473
2474
2475
2476
2477
2478
2479
2480
2481
2482
2483
2484
2485
2486
2487
2488
2489
2490
2491
2492
2493
2494
2495
2496
2497
2498
2499
2500
2501
2502
2503
2504
2505
2506
2507
2508
2509
2510
2511
2512
2513
2514
2515
2516
2517
2518
2519
2520
2521
2522
2523
2524
2525
2526
2527
2528
2529
2530
2531
2532
2533
2534
2535
2536
2537
2538
2539
2540
2541
2542
2543
2544
2545
2546
2547
2548
2549
2550
2551
2552
2553
2554
2555
2556
2557
2558
2559
2560
2561
2562
2563
2564
2565
2566
2567
2568
2569
2570
2571
2572
2573
2574
2575
2576
2577
2578
2579
2580
2581
2582
2583
2584
2585
2586
2587
2588
2589
2590
2591
2592
2593
2594
2595
2596
2597
2598
2599
2600
2601
2602
2603
2604
2605
2606
2607
2608
2609
2610
2611
2612
2613
2614
2615
2616
2617
2618
2619
2620
2621
2622
2623
2624
2625
2626
2627
2628
2629
2630
2631
2632
2633
2634
2635
2636
2637
2638
2639
2640
2641
2642
2643
2644
2645
2646
2647
2648
2649
2650
2651
2652
2653
2654
2655
2656
2657
2658
2659
2660
2661
2662
2663
2664
2665
2666
2667
2668
2669
2670
2671
2672
2673
2674
2675
2676
2677
2678
2679
2680
2681
2682
2683
2684
2685
2686
2687
2688
2689
2690
2691
2692
2693
2694
2695
2696
2697
2698
2699
2700
2701
2702
2703
2704
2705
2706
2707
2708
2709
2710
2711
2712
2713
2714
2715
2716
2717
2718
2719
2720
2721
2722
2723
2724
2725
2726
2727
2728
2729
2730
2731
2732
2733
2734
2735
2736
2737
2738
2739
2740
2741
2742
2743
2744
2745
2746
2747
2748
2749
2750
2751
2752
2753
2754
2755
2756
2757
2758
2759
2760
2761
2762
2763
2764
2765
2766
2767
2768
2769
2770
2771
2772
2773
2774
2775
2776
2777
2778
2779
2780
2781
2782
2783
2784
2785
2786
2787
2788
2789
2790
2791
2792
2793
2794
2795
2796
2797
2798
2799
2800
2801
2802
2803
2804
2805
2806
2807
2808
2809
2810
2811
2812
2813
2814
2815
2816
2817
2818
2819
2820
2821
2822
2823
2824
2825
2826
2827
2828
2829
2830
2831
2832
2833
2834
2835
2836
2837
2838
2839
2840
2841
2842
2843
2844
2845
2846
2847
2848
2849
2850
2851
2852
2853
2854
2855
2856
2857
2858
2859
2860
2861
2862
2863
2864
2865
2866
2867
2868
2869
2870
2871
2872
2873
2874
2875
2876
2877
2878
2879
2880
2881
2882
2883
2884
2885
2886
2887
2888
2889
2890
2891
2892
2893
2894
2895
2896
2897
2898
2899
2900
2901
2902
2903
2904
2905
2906
2907
2908
2909
2910
2911
2912
2913
2914
2915
2916
2917
2918
2919
2920
2921
2922
2923
2924
2925
2926
2927
2928
2929
2930
2931
2932
2933
2934
2935
2936
2937
2938
2939
2940
2941
2942
2943
2944
2945
2946
2947
2948
2949
2950
2951
2952
2953
2954
2955
2956
2957
2958
2959
2960
2961
2962
2963
2964
2965
2966
2967
2968
2969
2970
2971
2972
2973
2974
2975
2976
2977
2978
2979
2980
2981
2982
2983
2984
2985
2986
2987
2988
2989
2990
2991
2992
2993
2994
2995
2996
2997
2998
2999
3000
3001
3002
3003
3004
3005
3006
3007
3008
3009
3010
3011
3012
3013
3014
3015
3016
3017
3018
3019
3020
3021
3022
3023
3024
3025
3026
3027
3028
3029
3030
3031
3032
3033
3034
3035
3036
3037
3038
3039
3040
3041
3042
3043
3044
3045
3046
3047
3048
3049
3050
3051
3052
3053
3054
3055
3056
3057
3058
3059
3060
3061
3062
3063
3064
3065
3066
3067
3068
3069
3070
3071
3072
3073
3074
3075
3076
3077
3078
3079
3080
3081
3082
3083
3084
3085
3086
3087
3088
3089
3090
3091
3092
3093
3094
3095
3096
3097
3098
3099
3100
3101
3102
3103
3104
3105
3106
3107
3108
3109
3110
3111
3112
3113
3114
3115
3116
3117
3118
3119
3120
3121
3122
3123
3124
3125
3126
3127
3128
3129
3130
3131
3132
3133
3134
3135
3136
3137
3138
3139
3140
3141
3142
3143
3144
3145
3146
3147
3148
3149
3150
3151
3152
3153
3154
3155
3156
3157
3158
3159
3160
3161
3162
3163
3164
3165
3166
3167
3168
3169
3170
3171
3172
3173
3174
3175
3176
3177
3178
3179
3180
3181
3182
3183
3184
3185
3186
3187
3188
3189
3190
3191
3192
3193
3194
3195
3196
3197
3198
3199
3200
3201
3202
3203
3204
3205
3206
3207
3208
3209
3210
3211
3212
3213
3214
3215
3216
3217
3218
3219
3220
3221
3222
3223
3224
3225
3226
3227
3228
3229
3230
3231
3232
3233
3234
3235
3236
3237
3238
3239
3240
3241
3242
3243
3244
3245
3246
3247
3248
3249
3250
3251
3252
3253
3254
3255
3256
3257
3258
3259
3260
3261
3262
3263
3264
3265
3266
3267
3268
3269
3270
3271
3272
3273
3274
3275
3276
3277
3278
3279
3280
3281
3282
3283
3284
3285
3286
3287
3288
3289
3290
3291
3292
3293
3294
3295
3296
3297
3298
3299
3300
3301
3302
3303
3304
3305
3306
3307
3308
3309
3310
3311
3312
3313
3314
3315
3316
3317
3318
3319
3320
3321
3322
3323
3324
3325
3326
3327
3328
3329
3330
3331
3332
3333
3334
3335
3336
3337
3338
3339
3340
3341
3342
3343
3344
3345
3346
3347
3348
3349
3350
3351
3352
3353
3354
3355
3356
3357
3358
3359
3360
3361
3362
3363
3364
3365
3366
3367
3368
3369
3370
3371
3372
3373
3374
3375
3376
3377
3378
3379
3380
3381
3382
3383
3384
3385
3386
3387
3388
3389
3390
3391
3392
3393
3394
3395
3396
3397
3398
3399
3400
3401
3402
3403
3404
3405
3406
3407
3408
3409
3410
3411
3412
3413
3414
3415
3416
3417
3418
3419
3420
3421
3422
3423
3424
3425
3426
3427
3428
3429
3430
3431
3432
3433
3434
3435
3436
3437
3438
3439
3440
3441
3442
3443
3444
3445
3446
3447
3448
3449
3450
3451
3452
3453
3454
3455
3456
3457
3458
3459
3460
3461
3462
3463
3464
3465
3466
3467
3468
3469
3470
3471
3472
3473
3474
3475
3476
3477
3478
3479
3480
3481
3482
3483
3484
3485
3486
3487
3488
3489
3490
3491
3492
3493
3494
3495
3496
3497
3498
3499
3500
3501
3502
3503
3504
3505
3506
3507
3508
3509
3510
3511
3512
3513
3514
3515
3516
3517
3518
3519
3520
3521
3522
3523
3524
3525
3526
3527
3528
3529
3530
3531
3532
3533
3534
3535
3536
3537
3538
3539
3540
3541
3542
3543
3544
3545
3546
3547
3548
3549
3550
3551
3552
3553
3554
3555
3556
3557
3558
3559
3560
3561
3562
3563
3564
3565
3566
3567
3568
3569
3570
3571
3572
3573
3574
3575
3576
3577
3578
3579
3580
3581
3582
3583
3584
3585
3586
3587
3588
3589
3590
3591
3592
3593
3594
3595
3596
3597
3598
3599
3600
3601
3602
3603
3604
3605
3606
3607
3608
3609
3610
3611
3612
3613
3614
3615
3616
3617
3618
3619
3620
3621
3622
3623
3624
3625
3626
3627
3628
3629
3630
3631
3632
3633
3634
3635
3636
3637
3638
3639
3640
3641
3642
3643
3644
3645
3646
3647
3648
3649
3650
3651
3652
3653
3654
3655
3656
3657
3658
3659
3660
3661
3662
3663
3664
3665
3666
3667
3668
3669
3670
3671
3672
3673
3674
3675
3676
3677
3678
3679
3680
3681
3682
3683
3684
3685
3686
3687
3688
3689
3690
3691
3692
3693
3694
3695
3696
3697
3698
3699
3700
3701
3702
3703
3704
3705
3706
3707
3708
3709
3710
3711
3712
3713
3714
3715
3716
3717
3718
3719
3720
3721
3722
3723
3724
3725
3726
3727
3728
3729
3730
3731
3732
3733
3734
3735
3736
3737
3738
3739
3740
3741
3742
3743
3744
3745
3746
3747
3748
3749
3750
3751
3752
3753
3754
3755
3756
3757
3758
3759
3760
3761
3762
3763
3764
3765
3766
3767
3768
3769
3770
3771
3772
3773
3774
3775
3776
3777
3778
3779
3780
3781
3782
3783
3784
3785
3786
3787
3788
3789
3790
3791
3792
3793
3794
3795
3796
3797
3798
3799
3800
3801
3802
3803
3804
3805
3806
3807
3808
3809
3810
3811
3812
3813
3814
3815
3816
3817
3818
3819
3820
3821
3822
3823
3824
3825
3826
3827
3828
3829
3830
3831
3832
3833
3834
3835
3836
3837
3838
3839
3840
3841
3842
3843
3844
3845
3846
3847
3848
3849
3850
3851
3852
3853
3854
3855
3856
3857
3858
3859
3860
3861
3862
3863
3864
3865
3866
3867
3868
3869
3870
3871
3872
3873
3874
3875
3876
3877
3878
3879
3880
3881
3882
3883
3884
3885
3886
3887
3888
3889
3890
3891
3892
3893
3894
3895
3896
3897
3898
3899
3900
3901
3902
3903
3904
3905
3906
3907
3908
3909
3910
3911
3912
3913
3914
3915
3916
3917
3918
3919
3920
3921
3922
3923
3924
3925
3926
3927
3928
3929
3930
3931
3932
3933
3934
3935
3936
3937
3938
3939
3940
3941
3942
3943
3944
3945
3946
3947
3948
3949
3950
3951
3952
3953
3954
3955
3956
3957
3958
3959
3960
3961
3962
3963
3964
3965
3966
3967
3968
3969
3970
3971
3972
3973
3974
3975
3976
3977
3978
3979
3980
3981
3982
3983
3984
3985
3986
3987
3988
3989
3990
3991
3992
3993
3994
3995
3996
3997
3998
3999
4000
4001
4002
4003
4004
4005
4006
4007
4008
4009
4010
4011
4012
4013
4014
4015
4016
4017
4018
4019
4020
4021
4022
4023
4024
4025
4026
4027
4028
4029
4030
4031
4032
4033
4034
4035
4036
4037
4038
4039
4040
4041
4042
4043
4044
4045
4046
4047
4048
4049
4050
4051
4052
4053
4054
4055
4056
4057
4058
4059
4060
4061
4062
4063
4064
4065
4066
4067
4068
4069
4070
4071
4072
4073
4074
4075
4076
4077
4078
4079
4080
4081
4082
4083
4084
4085
4086
4087
4088
4089
4090
4091
4092
4093
4094
4095
4096
4097
4098
4099
4100
4101
4102
4103
4104
4105
4106
4107
4108
4109
4110
4111
4112
4113
4114
4115
4116
4117
4118
4119
4120
4121
4122
4123
4124
4125
4126
4127
4128
4129
4130
4131
4132
4133
4134
4135
4136
4137
4138
4139
4140
4141
4142
4143
4144
4145
4146
4147
4148
4149
4150
4151
4152
4153
4154
4155
4156
4157
4158
4159
4160
4161
4162
4163
4164
4165
4166
4167
4168
4169
4170
4171
4172
4173
4174
4175
4176
4177
4178
4179
4180
4181
4182
4183
4184
4185
4186
4187
4188
4189
4190
4191
4192
4193
4194
4195
4196
4197
4198
4199
4200
4201
4202
4203
4204
4205
4206
4207
4208
4209
4210
4211
4212
4213
4214
4215
4216
4217
4218
4219
4220
4221
4222
4223
4224
4225
4226
t01
     RDKit          3D

 30 31  0  0  0  0  0  0  0  0999 V2000
    7.8182   24.3906   39.4875 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470   25.6287   39.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9750   26.6325   40.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0148   26.4632   40.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3498   27.1902   39.6765 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7763   21.6925   39.0895 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0486   21.1711   39.5952 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4220   20.9761   38.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4161   27.8832   40.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9405   25.9896   39.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2846   25.2867   38.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1932   23.5146   38.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8693   24.1075   37.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100   23.0280   38.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5476   23.6831   40.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8095   23.2159   41.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1422   24.3684   41.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1073   28.1076   40.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5983   29.0506   40.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2447   28.7609   41.3652 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4993   22.6016   40.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3333   23.0485   39.4843 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8971   21.9829   40.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1611   22.4385   37.9412 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6454   21.7076   37.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9838   22.8852   37.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6981   30.0436   41.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440   29.9584   42.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4729   30.6230   42.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4267   30.5817   40.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0
  1 15  1  0
  1  2  1  0
  2  3  2  0
  2 10  1  0
  3  4  1  0
  3  9  1  0
  5 10  2  0
  5 18  1  0
  6  7  1  0
  6  8  1  0
  6 21  1  0
  6 24  1  0
  9 18  2  0
  9 20  1  0
 10 11  1  0
 12 13  1  0
 12 14  1  0
 12 24  1  0
 15 16  1  0
 15 17  1  0
 15 21  1  0
 18 19  1  0
 20 27  1  0
 21 22  1  0
 21 23  1  0
 24 25  1  0
 24 26  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
M  CHG  1   6   1
M  END
$$$$
t02
     RDKit          3D

 31 32  0  0  0  0  0  0  0  0999 V2000
   25.0501   18.7314   44.9096 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.6899   17.5227   44.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4296   16.3824   45.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4668   16.4362   46.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1531   16.1911   42.3127 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.0816   21.2076   45.9828 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.0663   22.0402   46.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.9567   21.2780   45.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6940   13.6122   46.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6551   14.1150   46.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4300   12.6169   46.9812 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1784   12.2791   47.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4665   12.1170   46.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0704   15.1721   44.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5243   17.3478   42.9331 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7082   18.1668   42.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.7672   14.0455   45.2149 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9230   19.9973   44.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7595   20.0707   43.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9907   20.0014   43.5629 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1251   18.7139   45.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0491   17.8449   46.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0928   18.6480   45.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9304   15.1293   43.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6258   14.2132   42.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1044   19.9688   46.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9935   20.0220   47.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2096   19.9944   47.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9120   21.2384   45.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0074   21.2709   45.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9820   22.1608   44.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0
  1 21  1  0
  1  2  1  0
  2  3  2  0
  2 15  1  0
  3  4  1  0
  3 14  1  0
  5 15  2  0
  5 24  1  0
  6  7  1  0
  6  8  1  0
  6 26  1  0
  6 29  1  0
  9 10  1  0
  9 11  2  3
  9 17  1  0
 11 12  1  0
 11 13  1  0
 14 24  2  0
 14 17  1  0
 15 16  1  0
 18 19  1  0
 18 20  1  0
 18 29  1  0
 21 22  1  0
 21 23  1  0
 21 26  1  0
 24 25  1  0
 26 27  1  0
 26 28  1  0
 29 30  1  0
 29 31  1  0
M  CHG  1   6   1
M  END
$$$$
t03
     RDKit          3D

 30 31  0  0  0  0  0  0  0  0999 V2000
   18.0379   46.5130   43.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7562   47.8775   42.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3205   48.8321   43.7707 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.2071   48.4052   44.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6400   49.2128   45.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5881   47.0760   44.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9597   46.1330   44.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1801   45.0822   44.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3899   45.6472   42.2663 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7186   44.2624   42.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7803   44.0929   42.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1400   43.7303   41.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4352   43.8579   43.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4971   46.6786   45.8994 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7968   47.5881   47.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4819   48.3761   46.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8777   48.0667   47.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4273   46.8440   48.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7149   46.1470   48.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7859   47.5423   48.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6044   46.0332   47.7663 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.3448   46.6608   47.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0185   45.5374   48.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2381   45.0492   46.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1522   44.5210   46.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5339   44.3372   47.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6105   45.7748   45.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2821   45.0117   44.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3774   46.3752   44.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5103   48.4924   41.6784 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0
  1  2  1  0
  1  9  1  0
  2  3  2  0
  2 30  1  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  6 14  1  0
  7  8  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 14 15  1  0
 14 27  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
M  CHG  1  21   1
M  END
$$$$
t04
     RDKit          3D

 26 27  0  0  0  0  0  0  0  0999 V2000
   19.2661   31.4061   42.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2698   31.9541   43.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3804   33.1418   43.8533 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5527   33.8080   43.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5890   34.7632   44.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6318   33.3737   42.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4525   32.1299   42.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2576   31.6951   41.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1042   29.7316   41.5474 Br  0  0  0  0  0  0  0  0  0  0  0  0
   16.7527   31.1922   43.5061 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   21.8219   34.0866   42.7456 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.1671   35.1535   43.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9141   34.8330   44.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5846   36.0535   43.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6657   35.4986   43.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8772   36.3856   44.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2676   34.6603   44.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1153   35.7852   42.3033 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.1163   36.0145   42.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6444   36.6310   41.9538 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3581   34.2818   41.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7931   35.0912   40.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2346   33.3908   40.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8541   34.6389   41.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4611   33.7965   41.7204 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1928   34.9404   40.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0
  1  2  1  0
  1  9  1  0
  2  3  2  0
  2 10  1  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  6 11  1  0
  7  8  1  0
 11 12  1  0
 11 21  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 18 24  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
M  CHG  1  18   1
M  END
$$$$
t05
     RDKit          3D

 29 30  0  0  0  0  0  0  0  0999 V2000
   34.4832   48.4519   13.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7529   49.5993   13.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2061   50.3808   14.3478 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.4045   50.0004   15.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9523   50.6772   16.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.1293   48.8776   16.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6635   48.1000   15.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2021   47.1834   15.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.2997   48.5192   17.3985 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.1705   47.4391   12.4667 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   35.6714   48.1676   17.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2195   47.5779   17.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.2342   49.0967   18.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.6575   47.3608   19.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6654   47.2542   19.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.2238   46.3656   19.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.8174   48.0527   20.2035 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.8130   47.5057   21.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.2487   48.9534   20.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.4094   48.2778   19.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9594   47.2913   19.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.8758   48.7983   20.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.4029   49.0989   18.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7198   50.1254   18.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.3686   49.1293   18.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.5212   50.0359   11.9613 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9688   49.2695   11.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.4751   50.2338   11.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.9324   50.9588   11.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0
  1  2  1  0
  1 10  1  0
  2 26  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  6  9  1  0
  7  8  1  0
  9 11  1  0
  9 23  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
M  CHG  1  17   1
M  END
$$$$
t06
     RDKit          3D

 28 29  0  0  0  0  0  0  0  0999 V2000
   16.9085   52.5783   40.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5087   51.6807   41.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5114   51.9565   42.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0868   50.4218   40.9471 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0746   50.0603   39.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7412   49.0351   39.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4639   50.8667   38.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8822   52.1600   38.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1581   52.8735   38.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4264   50.4541   37.2211 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6254   50.7104   36.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3837   49.9545   36.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0708   51.6893   36.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3016   50.6489   34.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6523   51.4764   34.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2142   50.6706   34.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5738   49.3781   34.5436 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1923   48.5710   34.7136 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3616   49.3476   33.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3099   49.2236   35.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8559   48.2700   35.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6459   50.0418   35.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6160   49.2659   36.8426 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6561   49.2737   37.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1563   48.3557   37.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3325   53.9004   40.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6876   55.0095   40.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0040   55.9976   41.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0
  1 26  1  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  7 10  1  0
  8  9  1  0
 10 11  1  0
 10 23  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 26 27  3  0
 27 28  1  0
M  CHG  1  17   1
M  END
$$$$
t07
     RDKit          3D

 26 27  0  0  0  0  0  0  0  0999 V2000
   34.2227   46.2457   36.1278 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.0782   46.4946   37.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3022   45.6555   38.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8183   44.7776   37.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.5968   47.8373   39.4918 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.3740   46.0142   33.2521 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.5746   45.5334   32.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.0274   46.9440   32.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.1693   45.9014   39.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7010   47.5607   38.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3194   48.2746   37.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.2185   44.8617   40.6578 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   32.9929   45.9763   35.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4965   46.9334   35.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.2790   45.3507   35.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.3484   46.8716   35.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2663   46.8391   35.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.1053   47.9219   35.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.8248   46.9925   40.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7497   47.2193   41.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.3045   45.2721   33.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6744   44.2559   34.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.4208   45.2325   33.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.6357   46.1539   34.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3499   46.7154   33.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.0218   45.1446   34.2219 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0
  1 16  1  0
  1  2  1  0
  2  3  2  0
  2 10  1  0
  3  4  1  0
  3  9  1  0
  5 10  2  0
  5 19  1  0
  6  7  1  0
  6  8  1  0
  6 21  1  0
  6 24  1  0
  9 19  2  0
  9 12  1  0
 10 11  1  0
 13 14  1  0
 13 15  1  0
 13 21  1  0
 16 17  1  0
 16 18  1  0
 16 24  1  0
 19 20  1  0
 21 22  1  0
 21 23  1  0
 24 25  1  0
 24 26  1  0
M  CHG  1   6   1
M  END
$$$$
t08
     RDKit          3D

 33 34  0  0  0  0  0  0  0  0999 V2000
   13.3079   40.2972    9.7799 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2176   40.6010   10.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3492   41.4458   11.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3110   41.9008   11.9369 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8260   40.4061   11.1304 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5309   39.3557    8.1898 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3492   39.4632    7.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4268   38.3414    8.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2610   41.7676   12.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9167   40.1272   10.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7017   39.4595    9.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0786   39.7506    8.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2481   40.2727    7.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8178   38.6886    8.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5773   39.8714   10.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4746   38.8221   10.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7846   40.4462   11.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0290   41.2221   12.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1317   41.4198   12.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5389   42.6028   13.5670 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3123   39.9037    7.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1856   39.3580    6.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5138   40.9570    7.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7961   40.0203    9.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0085   41.0736    9.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6834   39.5508    9.9423 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4455   42.9505   14.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0277   42.0512   14.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6694   43.4748   13.8538 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9723   43.8747   15.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7632   43.3830   16.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4122   44.7764   15.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1715   44.1709   16.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0
  1 15  1  0
  1  2  1  0
  2  3  2  0
  2 10  1  0
  3  4  1  0
  3  9  1  0
  5 10  2  0
  5 18  1  0
  6  7  1  0
  6  8  1  0
  6 21  1  0
  6 24  1  0
  9 18  2  0
  9 20  1  0
 10 11  1  0
 12 13  1  0
 12 14  1  0
 12 21  1  0
 15 16  1  0
 15 17  1  0
 15 24  1  0
 18 19  1  0
 20 27  1  0
 21 22  1  0
 21 23  1  0
 24 25  1  0
 24 26  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
M  CHG  1   6   1
M  END
$$$$
t09
     RDKit          3D

 37 38  0  0  1  0  0  0  0  0999 V2000
   19.4487   35.4653   55.7931 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.8128   34.2255   55.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8599   33.8421   54.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6194   34.4946   54.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4867   32.0268   56.9070 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.2010   38.1111   56.9367 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9327   39.0786   57.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4196   37.5385   57.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2423   32.9836   53.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1188   33.8185   54.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3772   32.7551   52.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5381   33.4405   52.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2241   32.5987   54.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0658   33.2573   56.8166 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7684   33.4582   57.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3234   32.1749   53.9980 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7883   35.6322   56.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4257   36.2205   55.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2986   34.6671   56.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8920   36.5714   54.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7951   36.5352   55.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1834   36.4402   53.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5803   31.7251   55.9512 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1286   30.7384   56.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6921   36.2914   57.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6377   36.1305   58.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9097   35.8170   58.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4419   37.7887   57.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3082   38.1852   58.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2730   38.3269   57.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2845   37.9844   55.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2999   38.2535   55.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5953   38.7211   55.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4539   31.6284   51.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5252   32.0247   50.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3157   30.9771   51.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5478   31.0177   51.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0
  1 20  1  0
  1  2  1  0
  2  3  2  0
  2 14  1  0
  3  4  1  0
  3 13  1  0
  5 14  2  0
  5 23  1  0
  6  7  1  0
  6  8  1  0
  6 28  1  0
  6 31  1  0
  9 10  1  0
  9 11  2  0
  9 16  1  0
 11 12  1  0
 11 34  1  0
 13 23  2  0
 13 16  1  0
 14 15  1  0
 17 18  1  0
 17 19  1  0
 17 25  1  0
 20 21  1  0
 20 22  1  0
 20 31  1  0
 23 24  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 28 29  1  0
 28 30  1  0
 31 32  1  0
 31 33  1  0
 34 35  1  0
 34 36  1  0
 34 37  1  0
M  CHG  1   6   1
M  END
$$$$
t10
     RDKit          3D

 29 30  0  0  1  0  0  0  0  0999 V2000
    8.5054   33.2181   18.6187 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3060   32.5756   19.9418 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3036   32.1320   19.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3602   33.3346   20.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2839   31.4360   20.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2612   31.8052   20.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8793   30.8134   21.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4876   30.5415   19.0744 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6520   29.5869   19.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6102   30.4761   18.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6099   30.9098   18.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8002   30.0356   17.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5004   31.0821   18.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2661   32.1067   17.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1462   32.3444   16.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4663   31.8346   16.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8793   33.3442   18.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5827   33.5092   18.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9801   34.2367   17.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4533   33.8774   17.9863 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2953   34.2729   18.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1981   34.0958   19.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4644   34.8288   15.9406 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2444   34.9319   18.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4569   34.1918   16.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2951   33.9126   15.9863 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3711   35.1881   16.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640   35.3825   18.9529 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9932   36.0812   15.6796 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0
  1  2  1  0
  1 20  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 20 21  2  0
 20 25  1  0
 21 22  1  0
 21 24  1  0
 23 25  2  0
 23 27  1  0
 24 27  2  0
 24 28  1  0
 25 26  1  0
 27 29  1  0
M  CHG  1   8   1
M  END
$$$$
t11
     RDKit          3D

 29 30  0  0  1  0  0  0  0  0999 V2000
   13.5163   28.0174   16.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8149   27.2406   17.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4428   27.5278   16.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3116   30.3256   17.6858 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2655   30.3522   16.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9873   31.1687   16.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8796   29.4428   16.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5315   30.5077   15.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7793   31.3020   15.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2514   30.8228   14.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8715   29.2268   14.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6028   28.4429   14.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2968   29.4237   13.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9110   28.6896   15.7607 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2744   29.4375   16.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2990   28.0117   15.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7500   29.0165   18.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3998   28.5600   18.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7686   29.1769   18.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7280   33.7675   19.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1197   33.9170   18.6914 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1142   31.4596   18.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7076   31.3857   19.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5597   30.4208   20.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2959   32.7665   17.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5889   32.9401   16.9537 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5099   32.5389   20.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9667   32.3441   22.3861 Br  0  0  0  0  0  0  0  0  0  0  0  0
   13.5311   35.2765   20.7831 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
  1 17  1  0
  1 14  1  0
  4  5  1  0
  4 17  1  0
  4 22  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 17 18  1  0
 17 19  1  0
 20 27  2  0
 20 21  1  0
 20 29  1  0
 21 25  2  0
 22 23  2  0
 22 25  1  0
 23 24  1  0
 23 27  1  0
 25 26  1  0
 27 28  1  0
M  CHG  1  14   1
M  END
$$$$
t12
     RDKit          3D

 30 31  0  0  1  0  0  0  0  0999 V2000
   16.9461   36.6633   21.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7363   37.7124   21.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9458   38.0070   21.0808 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3646   37.2178   20.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3313   37.5191   19.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6664   36.1343   19.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4202   35.8830   20.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7998   35.0561   19.7552 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1577   35.3719   18.4389 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2466   34.5030   17.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2790   35.0058   17.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0736   33.5677   18.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7254   34.1830   16.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4949   33.4056   16.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8822   33.8345   15.6229 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6091   35.2414   18.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8681   34.1976   18.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1604   35.4733   19.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2796   35.4032   15.5485 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0790   35.3265   14.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7521   36.2337   15.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0723   36.1591   17.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1612   36.2703   17.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6470   37.1622   17.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7378   35.6359   15.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0264   36.3741   14.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2615   34.7008   15.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0871   38.9291   23.2001 I   0  0  0  0  0  0  0  0  0  0  0  0
   15.7207   36.3264   21.6561 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5043   36.9445   22.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0
  1  2  1  0
  1 29  1  0
  2  3  2  0
  2 28  1  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  6  9  1  0
  7  8  1  0
  9 16  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 13 19  1  0
 16 17  1  0
 16 18  1  0
 16 22  1  0
 19 20  1  0
 19 21  1  0
 19 25  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 29 30  1  0
M  CHG  1  19   1
M  END
$$$$
t13
     RDKit          3D

 36 38  0  0  1  0  0  0  0  0999 V2000
   16.0781   49.5903   57.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9276   49.8742   58.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9559   50.9044   58.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7348   48.9461   59.3755 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6865   47.6520   58.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5543   46.9465   59.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8096   47.2039   57.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0048   48.2289   56.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0848   47.9923   55.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7497   45.8602   57.2778 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2561   45.4150   55.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5004   45.6124   55.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1505   45.9951   55.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6778   43.9374   55.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3214   43.7783   55.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8179   43.2647   55.7988 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4664   43.5347   57.0971 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0449   44.3269   57.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1475   42.8185   56.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9982   44.8995   58.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2577   45.4147   58.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4012   44.2360   57.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9427   44.0939   58.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6689   44.7526   59.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3578   43.6223   59.7846 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6804   42.9966   58.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0007   42.2292   57.8526 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3946   42.5061   58.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2660   50.6742   56.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3413   51.0854   55.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4149   51.6487   56.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2330   52.6812   55.8674 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1221   51.5346   56.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4311   50.6178   55.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1498   49.8077   55.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2625   50.9468   54.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0
  1  8  1  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7 10  1  0
  8  9  1  0
 10 20  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 17 26  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 29 30  1  0
 29 31  1  0
 29 34  1  0
 31 32  1  0
 31 33  1  0
 31 34  1  0
 34 35  1  0
 34 36  1  0
M  CHG  1  17   1
M  END
$$$$
t14
     RDKit          3D

 41 43  0  0  1  0  0  0  0  0999 V2000
    4.5619   24.9008   50.2762 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7725   25.3661   49.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9803   25.5616   48.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1673   25.3836   47.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2035   26.0255   47.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4010   26.2257   46.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0854   26.1249   50.1261 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3109   22.4267   51.1068 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2551   22.2031   50.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8284   21.5185   51.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0470   25.2246   45.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6369   24.2824   45.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2149   25.4016   44.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8794   25.6728   50.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8413   25.5396   51.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2109   26.2876   48.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1890   26.6404   48.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9172   24.3794   43.2295 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3852   23.5687   43.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9205   24.5465   42.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1539   25.2493   51.6476 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6853   26.1413   51.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0965   25.5364   51.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5753   24.2413   49.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0029   24.9988   48.8451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1078   23.6302   48.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4173   24.0869   52.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4200   23.6765   52.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3963   24.4652   53.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912   22.9726   52.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3888   23.3032   52.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6775   22.1397   53.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9528   27.4150   45.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2345   28.2242   46.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5997   23.2851   50.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1419   22.6120   49.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7974   23.8223   50.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1513   27.5923   44.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5901   28.5184   44.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7933   26.5850   43.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9678   26.7396   42.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0
  1 24  1  0
  1  2  1  0
  2  3  2  0
  2 14  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5 16  2  0
  6 33  1  0
  6 11  2  0
  7 16  1  0
  7 14  2  0
  8  9  1  0
  8 10  1  0
  8 30  1  0
  8 35  1  0
 11 12  1  0
 11 13  1  0
 13 40  2  0
 13 18  1  0
 14 15  1  0
 16 17  1  0
 18 19  1  0
 18 20  1  0
 21 22  1  0
 21 23  1  0
 21 27  1  0
 24 25  1  0
 24 26  1  0
 24 35  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 30 31  1  0
 30 32  1  0
 33 34  1  0
 33 38  2  0
 35 36  1  0
 35 37  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
M  CHG  1   8   1
M  END
$$$$
t15
     RDKit          3D

 34 35  0  0  1  0  0  0  0  0999 V2000
   11.8819   42.0342   25.1800 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7116   42.2641   25.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4559   41.8243   25.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3624   41.2403   24.5497 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5866   43.2129   27.8890 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5860   43.3517   23.2483 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0094   43.7413   22.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7933   43.9765   23.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6249   41.9593   24.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2364   42.6720   24.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5002   41.4503   24.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1642   41.7291   23.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8911   40.7471   24.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2959   42.0837   26.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6901   42.9589   27.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6042   43.3658   27.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0577   41.6301   25.8212 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1804   41.9586   25.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7653   41.1134   25.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0467   41.7321   26.9321 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8137   41.6460   23.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9878   42.1833   23.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6029   40.5727   23.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4114   42.7580   27.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5373   42.9544   28.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9492   43.2632   25.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7474   43.2915   26.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2979   44.1213   25.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5899   43.4292   24.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0588   44.4147   24.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3592   42.6743   24.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0697   41.9794   22.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8772   41.2619   23.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8268   41.9707   21.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0
  1 21  1  0
  1  2  1  0
  2  3  2  0
  2 15  1  0
  3  4  1  0
  3 14  1  0
  5 15  2  0
  5 24  1  0
  6  7  1  0
  6  8  1  0
  6 29  1  0
  6 32  1  0
  9 10  1  0
  9 11  2  3
  9 17  1  0
 11 12  1  0
 11 13  1  0
 14 24  2  0
 14 17  1  0
 15 16  1  0
 18 19  1  0
 18 20  1  0
 18 26  1  0
 21 22  1  0
 21 23  1  0
 21 32  1  0
 24 25  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
 29 30  1  0
 29 31  1  0
 32 33  1  0
 32 34  1  0
M  CHG  1   6   1
M  END
$$$$
t16
     RDKit          3D

 38 40  0  0  1  0  0  0  0  0999 V2000
   24.0303   38.8812   24.2191 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7033   38.7054   22.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7661   39.5180   22.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2975   40.3441   22.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4262   39.3419   20.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9869   37.4812   20.7606 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.3175   37.8524   26.8281 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.8647   37.6500   27.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7286   37.3783   26.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8192   41.5645   18.2493 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.4452   40.2062   20.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2679   37.7060   22.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9890   37.0032   22.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0736   38.3041   20.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8606   38.0894   19.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.3532   38.4720   24.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7667   39.2446   25.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.0768   38.3970   23.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1514   39.6737   25.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1037   39.4897   24.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3467   40.7431   24.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6840   40.7613   18.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6231   40.5753   18.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2620   37.1352   25.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2715   36.7155   25.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6775   36.4156   24.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6741   37.2448   26.8436 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5664   36.2451   27.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.3073   37.8376   27.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2635   39.3365   26.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1522   39.7821   27.0645 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3822   39.7090   27.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6459   41.8387   18.8624 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9616   42.4815   18.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2113   40.5262   20.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9420   40.1265   21.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3022   41.3470   20.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3442   41.5958   20.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0
  1 19  1  0
  1  2  1  0
  2  3  2  0
  2 12  1  0
  3  4  1  0
  3  5  1  0
  5 11  1  0
  5 14  2  0
  6 14  1  0
  6 12  2  0
  7  8  1  0
  7  9  1  0
  7 27  1  0
  7 30  1  0
 10 33  2  0
 10 22  1  0
 11 35  1  0
 11 22  2  0
 12 13  1  0
 14 15  1  0
 16 17  1  0
 16 18  1  0
 16 24  1  0
 19 20  1  0
 19 21  1  0
 19 30  1  0
 22 23  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 30 31  1  0
 30 32  1  0
 33 34  1  0
 33 37  1  0
 35 36  1  0
 35 37  2  0
 37 38  1  0
M  CHG  1   7   1
M  END
$$$$
t17
     RDKit          3D

 40 42  0  0  1  0  0  0  0  0999 V2000
   25.4020   28.1878   20.5191 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.4689   27.6959   19.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8764   28.2875   18.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3756   29.1769   18.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.2721   26.0397   19.4675 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.9450   27.7742   17.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4384   28.5687   16.2972 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.5689   27.7376   20.9028 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.5450   27.7171   20.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8989   27.0867   20.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.2198   26.5729   20.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9781   26.0217   21.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.2308   27.2401   15.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3555   27.9788   21.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0549   28.9041   22.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.3543   27.7612   22.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.6065   26.6606   18.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4521   26.2247   17.7855 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4156   29.1112   19.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2423   28.8121   18.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8257   30.1291   19.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4064   26.8383   22.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6155   26.5083   23.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.5869   25.9738   21.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9400   27.2277   22.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3140   26.3479   22.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6775   27.9905   22.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0328   29.1277   20.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0263   29.7146   21.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2946   29.5609   19.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.3388   26.7670   14.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3263   27.1944   14.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.9707   26.6778   14.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0914   27.0377   15.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.1906   25.7326   13.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0581   25.3671   12.9385 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.8238   25.6433   13.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8429   25.2082   13.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.9345   25.1704   13.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8215   24.3639   12.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0
  1 19  1  0
  1  2  1  0
  2  3  2  0
  2 11  1  0
  3  4  1  0
  3  6  1  0
  5 11  2  0
  5 17  1  0
  6 17  2  0
  6  7  1  0
  7 13  1  0
  8  9  1  0
  8 10  1  0
  8 25  1  0
  8 28  1  0
 11 12  1  0
 13 31  2  0
 13 33  1  0
 14 15  1  0
 14 16  1  0
 14 22  1  0
 17 18  1  0
 19 20  1  0
 19 21  1  0
 19 28  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 28 29  1  0
 28 30  1  0
 31 32  1  0
 31 35  1  0
 33 34  1  0
 33 37  2  0
 35 36  1  0
 35 39  2  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
M  CHG  1   8   1
M  END
$$$$
t18
     RDKit          3D

 33 34  0  0  1  0  0  0  0  0999 V2000
   27.3372   42.8432   16.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8895   44.1944   15.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7966   39.3831   14.7847 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.3481   41.7517   15.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9791   41.8915   14.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.7701   40.4802   15.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1565   41.4336   17.8841 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.6437   37.9473   13.0891 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1452   38.7421   13.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.2550   37.6332   12.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.4739   45.0011   16.5358 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9726   44.5331   14.3829 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.3715   43.9374   13.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6756   45.4540   14.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.7374   42.6327   17.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7388   43.4402   18.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.1617   40.4069   16.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5262   39.4744   17.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.6457   38.0175   15.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1665   38.0335   16.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.9579   37.4388   14.6874 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.7497   39.5773   13.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7133   39.7428   12.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.3247   40.4727   13.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.9995   37.3264   15.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7394   37.9900   15.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.9025   36.4560   16.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.5265   36.8396   14.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8949   36.0588   13.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.5327   36.4247   14.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.3555   38.4293   12.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5842   38.7812   11.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.6771   37.5756   12.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0
  1 15  1  0
  1  2  1  0
  2 12  1  0
  2 11  2  0
  3 19  1  0
  3 22  1  0
  3  6  1  0
  4  5  1  0
  4  6  1  0
  6 17  2  0
  7 15  2  0
  7 17  1  0
  8  9  1  0
  8 10  1  0
  8 28  1  0
  8 31  1  0
 12 13  1  0
 12 14  1  0
 15 16  1  0
 17 18  1  0
 19 20  1  0
 19 21  1  0
 19 25  1  0
 22 23  1  0
 22 24  1  0
 22 31  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 28 29  1  0
 28 30  1  0
 31 32  1  0
 31 33  1  0
M  CHG  1   8   1
M  END
$$$$
t19
     RDKit          3D

 30 31  0  0  1  0  0  0  0  0999 V2000
   17.8258   29.9210   38.8773 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6121   30.6032   38.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2492   31.4015   40.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9237   31.5402   40.8734 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4380   31.1810   37.9122 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9385   27.3098   39.4459 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9408   27.2918   39.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3346   26.4723   39.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0259   32.0699   40.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6445   30.5439   37.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8073   29.9344   37.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4328   29.5954   37.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0355   30.2429   36.7859 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5074   29.8145   37.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6288   29.7117   40.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1947   30.6214   40.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9531   29.5187   40.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1565   31.9348   38.9977 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1925   32.4361   38.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7385   32.8368   41.1596 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8500   33.2427   41.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1852   28.1360   37.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1350   27.8700   37.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3710   28.0012   36.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0823   27.1678   37.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1387   27.3005   37.7181 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8028   26.1375   37.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5932   28.5140   40.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8910   28.2365   41.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5004   28.7349   39.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0
  1 15  1  0
  1  2  1  0
  2  3  2  0
  2 10  1  0
  3  4  1  0
  3  9  1  0
  5 10  2  0
  5 18  1  0
  6  7  1  0
  6  8  1  0
  6 25  1  0
  6 28  1  0
  9 18  2  0
  9 20  1  0
 10 11  1  0
 12 13  1  0
 12 14  1  0
 12 22  1  0
 15 16  1  0
 15 17  1  0
 15 28  1  0
 18 19  1  0
 20 21  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 28 29  1  0
 28 30  1  0
M  CHG  1   6   1
M  END
$$$$
t20
     RDKit          3D

 37 38  0  0  1  0  0  0  0  0999 V2000
   32.3051   22.7665   19.2630 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.9377   22.9988   19.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0855   23.1092   20.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4836   23.0415   21.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.9600   23.3584   17.7114 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1949   20.5740   19.2401 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.7850   19.7667   19.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.2509   20.1793   19.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.7108   23.3400   20.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2891   23.1342   17.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8436   23.0432   16.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.2362   23.2205   18.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1170   23.6879   18.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.7863   24.0162   17.6112 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.8674   22.2634   20.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1653   21.5480   20.9836 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.9835   23.0941   21.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.2022   23.4539   18.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1473   23.6334   18.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.6409   22.0581   17.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0732   22.4628   16.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.7622   21.4742   17.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.0159   23.4301   21.2865 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.6713   21.1373   17.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8625   20.2867   17.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.6257   21.6446   18.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1728   22.4651   23.2708 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.1242   22.2295   23.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.2053   21.5152   20.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0521   22.1985   20.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.3798   20.9108   21.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.0313   23.7285   22.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5584   24.4803   23.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9673   23.9790   22.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6020   23.6646   21.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1332   22.8367   20.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.4163   24.6185   20.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0
  1 15  1  0
  1  2  1  0
  2  3  2  0
  2 10  1  0
  3  4  1  0
  3  9  1  0
  5 10  2  0
  5 18  1  0
  6  7  1  0
  6  8  1  0
  6 24  1  0
  6 29  1  0
  9 18  2  0
  9 23  1  0
 10 11  1  0
 12 13  1  0
 12 14  1  0
 12 20  1  0
 15 16  1  0
 15 17  1  0
 15 29  1  0
 18 19  1  0
 20 21  1  0
 20 22  1  0
 20 24  1  0
 23 35  1  0
 24 25  1  0
 24 26  1  0
 27 28  1  0
 27 32  1  0
 29 30  1  0
 29 31  1  0
 32 33  1  0
 32 34  1  0
 32 35  1  0
 35 36  1  0
 35 37  1  0
M  CHG  1   6   1
M  END
$$$$
t21
     RDKit          3D

 39 41  0  0  1  0  0  0  0  0999 V2000
   29.5556   28.3058   34.2035 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9247   29.2165   35.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6020   29.0410   35.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0494   28.1488   35.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.9573   29.9618   36.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9794   31.3096   36.3447 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.0947   27.8982   31.3880 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.0424   27.6650   30.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.5358   28.7578   31.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.5702   29.7598   36.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5418   30.3817   35.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5578   30.6338   35.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.7042   31.0704   36.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2749   31.8349   37.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.0221   28.1682   34.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3022   27.1062   34.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.4370   28.5454   35.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.7614   27.3183   33.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8266   27.7886   33.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.4993   26.4733   34.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.6491   28.9105   33.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7183   29.0480   33.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.2174   29.9147   32.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.5152   28.1761   31.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9164   28.7956   30.9182 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.0589   27.2259   31.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.4384   26.7899   32.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1966   26.0304   32.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.6896   26.3405   31.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2233   29.8904   38.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9825   30.1347   38.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.5486   29.4274   35.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7696   29.3224   34.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2317   29.2342   36.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4576   28.9798   35.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9061   29.6980   38.5821 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6599   29.8027   39.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9110   29.3718   37.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8857   29.2215   38.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0
  1 18  1  0
  1  2  1  0
  2  3  2  0
  2 11  1  0
  3  4  1  0
  3  5  1  0
  5 10  1  0
  5 13  2  0
  6 13  1  0
  6 11  2  0
  7  8  1  0
  7  9  1  0
  7 24  1  0
  7 27  1  0
 10 30  2  0
 10 32  1  0
 11 12  1  0
 13 14  1  0
 15 16  1  0
 15 17  1  0
 15 21  1  0
 18 19  1  0
 18 20  1  0
 18 27  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 27 28  1  0
 27 29  1  0
 30 31  1  0
 30 36  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 34 38  1  0
 36 37  1  0
 36 38  2  0
 38 39  1  0
M  CHG  1   7   1
M  END
$$$$
t22
     RDKit          3D

 33 34  0  0  1  0  0  0  0  0999 V2000
   26.4465   22.6728   46.4803 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.1995   21.3044   46.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1338   20.7733   47.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4448   21.4295   47.8303 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.8062   18.9931   45.9634 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.0667   24.7165   47.7359 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.2546   23.8242   48.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.4569   25.4327   48.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8966   19.3939   47.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9905   20.3403   45.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8584   20.6326   45.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1319   23.2369   45.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0617   22.5568   44.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6278   24.1513   44.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8329   23.6069   47.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7977   23.8146   47.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8112   23.1296   48.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.7590   18.5530   46.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6451   17.4729   46.7088 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.5969   23.5124   45.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0502   22.6557   46.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.1409   23.6358   44.6748 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8191   19.0295   48.1461 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8112   24.7665   46.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5066   25.6732   45.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.8718   24.8667   46.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.5837   24.9358   47.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2725   25.4055   48.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.3920   25.6401   46.8322 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.5569   17.6297   48.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3270   17.2030   47.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6748   17.5013   48.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.3926   17.1064   48.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0
  1 15  1  0
  1  2  1  0
  2  3  2  0
  2 10  1  0
  3  4  1  0
  3  9  1  0
  5 10  2  0
  5 18  1  0
  6  7  1  0
  6  8  1  0
  6 24  1  0
  6 27  1  0
  9 18  2  0
  9 23  1  0
 10 11  1  0
 12 13  1  0
 12 14  1  0
 12 20  1  0
 15 16  1  0
 15 17  1  0
 15 27  1  0
 18 19  1  0
 20 21  1  0
 20 22  1  0
 20 24  1  0
 23 30  1  0
 24 25  1  0
 24 26  1  0
 27 28  1  0
 27 29  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
M  CHG  1   6   1
M  END
$$$$
t23
     RDKit          3D

 29 30  0  0  1  0  0  0  0  0999 V2000
   30.0808   36.1688   11.3556 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.5260   37.0062    8.6568 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.2221   36.6514   10.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4840   37.6088    9.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3709   36.9772   11.9602 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.8330   37.7547   11.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.5233   37.3953   12.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.4375   36.5532    9.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6907   36.0953    8.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.2574   37.2911   11.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2178   37.4136   12.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.3929   37.7738   10.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1817   38.2600   11.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.0282   38.2593    8.4932 Br  0  0  0  0  0  0  0  0  0  0  0  0
   29.3277   35.0442   10.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9540   34.4682   10.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.0546   34.3262   11.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.7346   36.6216   12.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3294   36.0656   13.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.9903   37.6824   12.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.0864   35.5483   10.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3359   36.4014    9.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.7206   34.7542    9.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.9534   35.9347   10.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5693   35.0769   11.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1264   36.3590   10.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.2433   36.5103   13.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0232   37.1462   13.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.9551   35.4854   13.3423 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0
  1 18  1  0
  1  3  1  0
  2  8  2  0
  2  4  1  0
  3 10  2  0
  3  8  1  0
  4 12  2  0
  4 14  1  0
  5  6  1  0
  5  7  1  0
  5 24  1  0
  5 27  1  0
  8  9  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 15 16  1  0
 15 17  1  0
 15 21  1  0
 18 19  1  0
 18 20  1  0
 18 27  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 27 28  1  0
 27 29  1  0
M  CHG  1   5   1
M  END
$$$$
t24
     RDKit          3D

 36 37  0  0  1  0  0  0  0  0999 V2000
   40.7123   20.7902   29.3837 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.4396   20.5514   29.3575 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.0331   20.8507   29.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.7199   20.9580   30.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7686   22.3935   27.9604 N   0  0  0  0  0  0  0  0  0  0  0  0
   38.0548   23.0786   27.6832 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.6370   22.9418   28.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.1242   20.5124   29.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.9748   20.1957   27.9713 H   0  0  0  0  0  0  0  0  0  0  0  0
   42.3889   21.2664   31.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.6353   21.5365   31.8363 H   0  0  0  0  0  0  0  0  0  0  0  0
   46.4258   21.0276   31.1381 S   0  0  0  0  0  0  0  0  0  0  0  0
   43.7291   21.3208   31.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9705   21.6425   32.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.3152   19.8552   28.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3787   19.3498   28.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.0457   19.0418   28.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.6469   21.4979   30.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0409   22.4522   30.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.3485   20.9005   31.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.1781   20.5827   26.9874 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.1855   19.8425   26.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.0382   21.2418   26.8172 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.8958   21.3895   26.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.8947   21.9461   25.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.0039   20.7536   26.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.3968   21.8532   29.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7377   20.9924   29.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.8245   22.6338   29.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
   47.2838   20.4650   29.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.0525   21.1395   28.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
   46.9468   19.4565   29.3689 H   0  0  0  0  0  0  0  0  0  0  0  0
   48.7844   20.4505   29.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.0571   19.7669   30.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
   49.2995   20.1115   28.9613 H   0  0  0  0  0  0  0  0  0  0  0  0
   49.1643   21.4492   30.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0
  1 18  1  0
  1  3  1  0
  2  8  2  0
  2  4  1  0
  3 10  2  0
  3  8  1  0
  4 13  2  0
  4 12  1  0
  5  6  1  0
  5  7  1  0
  5 24  1  0
  5 27  1  0
  8  9  1  0
 10 11  1  0
 10 13  1  0
 12 30  1  0
 13 14  1  0
 15 16  1  0
 15 17  1  0
 15 21  1  0
 18 19  1  0
 18 20  1  0
 18 27  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 27 28  1  0
 27 29  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
M  CHG  1   5   1
M  END
$$$$
t25
     RDKit          3D

 33 34  0  0  1  0  0  0  0  0999 V2000
   39.6278   29.1868   35.6342 N   0  0  0  0  0  0  0  0  0  0  0  0
   39.2469   26.6413   38.3436 N   0  0  0  0  0  0  0  0  0  0  0  0
   39.6774   28.5897   36.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.7517   27.3344   39.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.1675   29.3339   33.1891 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.8524   29.5588   32.4565 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.6881   28.7476   33.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.2256   27.2846   37.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.8290   26.6679   36.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.1906   29.2463   38.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5520   30.2701   37.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.2323   28.6253   39.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6276   29.1486   40.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.6163   28.7695   34.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1713   29.6478   34.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.7707   28.2744   35.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.8134   26.7628   40.6372 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.4409   30.3932   35.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.4073   30.3066   35.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.9340   31.2810   35.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.2277   27.8315   33.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.4171   27.3090   33.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.8352   27.0609   34.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.0672   28.5491   32.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5360   27.8150   31.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.4667   29.2269   31.9545 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.7658   30.6165   33.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.9205   31.0383   33.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.6104   31.3064   33.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.3036   25.4315   40.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2415   25.4016   40.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.8896   24.7603   40.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.3981   25.0761   41.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0
  1 18  1  0
  1  3  1  0
  2  8  2  0
  2  4  1  0
  3 10  2  0
  3  8  1  0
  4 12  2  0
  4 17  1  0
  5  6  1  0
  5  7  1  0
  5 24  1  0
  5 27  1  0
  8  9  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 14 15  1  0
 14 16  1  0
 14 21  1  0
 17 30  1  0
 18 19  1  0
 18 20  1  0
 18 27  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 27 28  1  0
 27 29  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
M  CHG  1   5   1
M  END
$$$$
t26
     RDKit          3D

 36 37  0  0  1  0  0  0  0  0999 V2000
   13.8167   28.9749   38.5515 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9457   28.2257   41.5184 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8710   28.6733   40.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500   29.5387   39.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7340   29.2687   41.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7055   29.4106   42.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6532   29.7099   40.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8304   28.5641   39.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6483   28.1006   38.8098 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9624   25.7935   42.7044 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0707   25.5778   42.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1433   24.9824   43.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3286   30.1135   38.0245 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.5207   30.3001   41.0444 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3017   28.1929   40.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3762   28.8630   40.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0273   28.5915   41.6660 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7884   27.9954   42.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8601   28.9510   43.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7900   27.5822   43.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6738   26.7745   40.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8561   26.3111   39.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5342   26.8244   39.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0535   25.8819   41.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9601   26.2252   42.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2320   24.8625   41.3412 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7849   26.9968   43.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4076   26.6359   44.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7698   27.4439   43.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4045   30.4453   42.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4469   29.4640   42.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2005   31.0940   42.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0608   31.0855   42.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2451   30.4677   42.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9823   32.0620   42.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9203   31.2188   43.8341 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0
  1  4  1  0
  2 15  1  0
  2 18  1  0
  2  3  1  0
  3  5  2  0
  3  8  1  0
  4  7  2  0
  4 13  1  0
  5  6  1  0
  5  7  1  0
  7 14  1  0
  8  9  1  0
 10 11  1  0
 10 12  1  0
 10 24  1  0
 10 27  1  0
 14 30  1  0
 15 16  1  0
 15 17  1  0
 15 21  1  0
 18 19  1  0
 18 20  1  0
 18 27  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 27 28  1  0
 27 29  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
M  CHG  1  10   1
M  END
$$$$
t27
     RDKit          3D

 37 38  0  0  1  0  0  0  0  0999 V2000
   15.8327   40.5269   36.7488 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0737   43.1082   34.0642 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0449   41.8629   34.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1750   40.6588   33.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3354   40.6993   32.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9629   39.4092   36.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1346   39.4130   34.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8757   41.7070   36.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7427   42.5723   36.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2711   45.1168   33.0321 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7080   44.3317   33.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6154   45.6690   32.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9270   38.1746   36.6334 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2576   38.1957   34.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5426   44.2957   34.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1577   44.0062   35.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2190   44.8890   34.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8586   43.2225   32.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7861   42.9798   32.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1007   42.4932   32.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3645   45.1364   35.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5994   44.5027   35.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7134   45.8254   36.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7315   45.9643   34.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4179   46.7195   33.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8466   46.4824   34.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3456   44.5926   32.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9056   44.4980   31.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1439   45.3382   32.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7485   38.2527   38.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7346   37.2305   38.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7888   38.7171   38.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5819   38.7787   38.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4052   38.1949   32.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3317   38.6934   32.2813 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5350   38.6453   32.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4666   37.1525   32.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0
  1  6  1  0
  2 15  1  0
  2 18  1  0
  2  3  1  0
  3  4  2  0
  3  8  1  0
  4  5  1  0
  4  7  1  0
  6  7  2  0
  6 13  1  0
  7 14  1  0
  8  9  1  0
 10 11  1  0
 10 12  1  0
 10 24  1  0
 10 27  1  0
 13 30  1  0
 14 34  1  0
 15 16  1  0
 15 17  1  0
 15 21  1  0
 18 19  1  0
 18 20  1  0
 18 27  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 27 28  1  0
 27 29  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
 34 35  1  0
 34 36  1  0
 34 37  1  0
M  CHG  1  10   1
M  END
$$$$
t28
     RDKit          3D

 33 34  0  0  1  0  0  0  0  0999 V2000
   31.2076   29.4309   42.3739 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.2107   29.2272   44.5742 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9736   29.6308   44.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5147   30.3777   43.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1892   30.6095   44.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5778   31.0912   45.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.9441   31.0046   44.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4079   29.0909   42.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9201   28.3101   42.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.3795   27.1429   46.1980 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.6986   26.5449   46.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.3624   26.9861   46.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.0065   30.7537   42.2956 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   30.1249   31.9507   44.7656 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.2502   28.7229   43.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2239   29.1641   43.9091 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.0571   29.0509   42.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.5893   29.5138   45.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7020   29.4101   46.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.9393   30.5498   46.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.3169   27.2009   43.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8637   26.8456   42.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.3104   26.7698   43.6505 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.0208   26.6666   44.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9658   25.5732   44.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.0788   26.9505   44.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.6498   28.5709   46.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6601   28.8246   46.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.6270   28.6268   47.6651 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.5605   32.5647   45.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4839   33.1324   45.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.7856   33.2711   46.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.6787   31.8238   46.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0
  1  4  1  0
  2 15  1  0
  2 18  1  0
  2  3  1  0
  3  5  2  0
  3  8  1  0
  4  7  2  0
  4 13  1  0
  5  6  1  0
  5  7  1  0
  7 14  1  0
  8  9  1  0
 10 11  1  0
 10 12  1  0
 10 24  1  0
 10 27  1  0
 14 30  1  0
 15 16  1  0
 15 17  1  0
 15 21  1  0
 18 19  1  0
 18 20  1  0
 18 27  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 27 28  1  0
 27 29  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
M  CHG  1  10   1
M  END
$$$$
t29
     RDKit          3D

 35 37  0  0  1  0  0  0  0  0999 V2000
   17.0027   25.2867   52.0315 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3039   26.5946   48.7821 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1596   26.0958   50.9113 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3772   27.2353   50.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6271   27.5370   51.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1008   25.8476   49.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7526   24.9770   49.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5441   28.0437   49.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5311   27.6790   48.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6454   22.8628   52.8440 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9609   22.1609   53.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3944   23.0517   51.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1364   24.4972   52.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1879   24.5737   53.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0908   24.9121   52.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7697   25.3681   52.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9108   25.5335   52.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8379   26.2253   53.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0201   23.0412   52.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9957   22.5594   52.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7722   22.9755   51.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0008   22.2502   52.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9107   21.2406   52.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2821   22.1647   53.9665 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4427   24.1033   53.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0531   24.0191   54.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3888   24.1191   53.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7572   29.1893   49.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9911   29.4787   50.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7005   28.4773   47.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4587   28.2094   46.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9445   29.9717   48.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3315   30.8576   48.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9173   29.6143   47.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0730   30.2183   46.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0
  1 16  1  0
  1  3  1  0
  2  6  2  0
  2  9  1  0
  3  4  2  0
  3  6  1  0
  4  5  1  0
  4  8  1  0
  6  7  1  0
  8 28  1  0
  8  9  2  0
  9 30  1  0
 10 11  1  0
 10 12  1  0
 10 22  1  0
 10 25  1  0
 13 14  1  0
 13 15  1  0
 13 19  1  0
 16 17  1  0
 16 18  1  0
 16 25  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 25 26  1  0
 25 27  1  0
 28 29  1  0
 28 32  2  0
 30 31  1  0
 30 34  2  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
M  CHG  1  10   1
M  END
$$$$
t30
     RDKit          3D

 41 43  0  0  1  0  0  0  0  0999 V2000
   21.2040   17.6313   31.4522 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6393   17.7630   29.1727 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3158   17.1866   29.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0777   17.4715   28.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1011   17.5132   28.9092 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1723   16.7289   28.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7868   17.0411   30.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6406   15.9546   30.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8667   17.2214   30.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1567   16.8930   32.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4685   19.2173   29.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4460   19.4889   29.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9814   15.7849   32.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7335   15.4918   32.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0254   19.0926   31.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8526   19.5954   31.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0912   19.4582   32.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1684   16.5308   34.8664 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6792   19.5142   30.9264 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8729   19.0290   31.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5593   20.5921   31.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6221   18.8423   28.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8986   18.7424   27.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5225   19.1845   28.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4810   19.8482   28.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8323   20.8276   28.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0193   19.9947   27.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7594   12.9679   33.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0238   13.0220   32.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6293   11.9552   33.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5930   11.1755   32.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8925   15.0548   34.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2724   17.1987   33.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5728   18.0261   33.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7121   13.9934   34.3395 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9943   15.4714   35.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9158   14.9475   35.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6664   11.7881   34.5756 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5038   10.8485   35.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6630   11.7552   34.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6580   12.6013   35.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0
  1  7  1  0
  1 10  1  0
  2  3  1  0
  2  4  1  0
  2 11  1  0
  2  5  1  0
  5  6  1  0
  5 22  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
 10 13  2  0
 10 33  1  0
 11 12  1  0
 11 25  1  0
 11 19  1  0
 13 14  1  0
 13 32  1  0
 15 16  1  0
 15 17  1  0
 15 19  1  0
 18 33  2  0
 18 36  1  0
 19 20  1  0
 19 21  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 28 29  1  0
 28 30  2  0
 28 35  1  0
 30 31  1  0
 30 38  1  0
 32 36  2  0
 32 35  1  0
 33 34  1  0
 36 37  1  0
 38 39  1  0
 38 40  1  0
 38 41  1  0
M  CHG  1   2   1
M  END
$$$$
t31
     RDKit          3D

 40 42  0  0  1  0  0  0  0  0999 V2000
   27.5523   35.7874   15.6153 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.9419   37.8956   14.8258 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7538   37.4436   15.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1042   38.4505   14.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1738   36.8596   13.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2136   36.6621   13.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7053   35.5579   14.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8081   35.0025   14.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.2429   34.9391   13.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.5360   34.8830   16.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1483   38.7663   14.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8344   39.7482   15.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0973   33.5589   16.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7769   33.1834   15.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.6588   36.7573   15.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1179   36.7042   14.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.4769   36.4944   16.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.9616   34.3976   19.0512 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.1898   38.1756   15.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7785   38.1993   16.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.0654   38.8336   15.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1485   37.5243   12.7871 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6565   37.7172   11.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.0140   36.8908   12.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.5684   38.8449   13.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6375   39.0472   13.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0258   39.6636   12.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0832   32.6654   17.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9530   35.2255   17.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2917   36.2346   18.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.5232   33.1325   18.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5460   32.5048   19.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6347   31.4060   17.3237 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6068   30.4687   18.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9408   30.8265   19.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.6178   30.3150   18.7991 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.0775   29.1501   17.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7144   28.7795   17.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.0360   28.3964   18.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0733   29.2788   17.4507 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0
  1  7  1  0
  1 10  1  0
  2  3  1  0
  2  4  1  0
  2 11  1  0
  2  5  1  0
  5  6  1  0
  5 22  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
 10 13  2  0
 10 29  1  0
 11 12  1  0
 11 25  1  0
 11 19  1  0
 13 14  1  0
 13 28  1  0
 15 16  1  0
 15 17  1  0
 15 19  1  0
 18 29  2  0
 18 31  1  0
 19 20  1  0
 19 21  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 28 31  2  0
 28 33  1  0
 29 30  1  0
 31 32  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 34 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
M  CHG  1   2   1
M  END
$$$$
t32
     RDKit          3D

 41 43  0  0  1  0  0  0  0  0999 V2000
   19.0309   51.7773   19.2877 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2770   52.5406   20.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6867   53.8057   20.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6049   54.2450   20.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4916   50.8537   18.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4026   50.7434   18.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2570   52.7928   21.5320 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3468   52.1255   18.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7638   51.2903   18.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0097   50.4839   20.3121 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1722   50.6706   20.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7365   50.1568   20.9568 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9006   51.6119   16.9883 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3486   50.9164   16.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0233   52.0741   16.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9237   52.7608   17.4162 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4040   53.7128   17.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7203   52.8853   16.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4974   55.9757   22.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0419   55.0592   22.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0069   57.1779   22.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9982   57.2235   23.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0573   52.1000   20.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6787   51.1107   20.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9097   54.5443   21.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1557   49.4894   18.7067 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5031   49.0579   19.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0928   48.8082   17.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2503   55.8053   21.8880 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4189   51.8955   19.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4053   52.5900   20.5718 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4279   51.7890   19.3208 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7056   54.0127   21.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0620   54.5687   22.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6091   49.3928   19.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3797   49.3632   18.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6847   48.4526   19.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3295   58.4900   22.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2123   59.0188   23.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3382   58.3807   22.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9383   59.1098   21.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0
  1  8  1  0
  1  2  1  0
  2  3  2  0
  2 23  1  0
  3  4  1  0
  3 25  1  0
  5  6  1  0
  5 13  1  0
  5 26  1  0
  7 23  2  0
  7 33  1  0
  8  9  1  0
  8 16  1  0
  8 30  1  0
 10 11  1  0
 10 12  1  0
 10 35  1  0
 10 30  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 19 20  1  0
 19 21  2  0
 19 29  1  0
 21 22  1  0
 21 38  1  0
 23 24  1  0
 25 33  2  0
 25 29  1  0
 26 27  1  0
 26 28  1  0
 26 35  1  0
 30 31  1  0
 30 32  1  0
 33 34  1  0
 35 36  1  0
 35 37  1  0
 38 39  1  0
 38 40  1  0
 38 41  1  0
M  CHG  1  10   1
M  END
$$$$
t33
     RDKit          3D

 37 39  0  0  1  0  0  0  0  0999 V2000
   31.8088   16.1905   49.0043 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4502   15.4950   47.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5591   15.8678   47.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.1937   14.0268   48.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1412   14.0062   48.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.2548   13.3545   47.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.9855   13.3751   49.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9328   12.9304   49.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.3766   12.5597   49.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.2943   14.2850   50.6675 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4608   14.8758   50.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.4091   13.7443   51.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.4908   15.3066   50.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3824   16.0238   51.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.4143   14.7290   50.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.2474   15.8681   49.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4839   14.8771   48.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.1253   19.4105   50.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7607   19.4842   50.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1555   20.3132   50.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.7779   17.4868   49.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1763   16.7433   48.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.1556   17.2955   49.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8089   18.2988   50.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8815   18.2399   50.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.8946   20.3138   51.3946 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.2199   21.4554   51.9217 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7774   22.0563   51.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.9642   22.0771   52.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.4664   21.1621   52.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.8009   16.4799   47.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7427   17.5727   47.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.8166   16.1661   47.6403 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.7187   15.8505   46.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1036   14.9565   46.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.4613   16.5940   46.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.0622   18.5441   49.8011 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1 16  1  0
  1 23  1  0
  2  3  1  0
  2 34  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 16 31  1  0
 18 24  2  0
 18 19  1  0
 18 26  1  0
 19 20  1  0
 19 37  2  0
 21 22  1  0
 21 23  2  0
 21 37  1  0
 23 24  1  0
 24 25  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 31 32  1  0
 31 33  1  0
 31 34  1  0
 34 35  1  0
 34 36  1  0
M  CHG  1  10   1
M  END
$$$$
t34
     RDKit          3D

 40 42  0  0  1  0  0  0  0  0999 V2000
   16.4599   22.7663   21.5498 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4994   22.8641   22.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1054   24.1001   23.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5659   25.0156   22.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9731   21.5314   20.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7628   21.7204   20.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9327   21.7952   24.0890 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6376   23.7263   20.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1004   24.6724   20.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8667   23.3540   21.7524 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6934   23.9075   21.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1727   23.5343   22.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9750   21.3471   19.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9757   21.0866   20.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2776   20.6404   19.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0129   22.8555   19.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6041   22.9453   18.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9877   23.1772   19.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8737   21.7564   23.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1169   20.7501   22.7753 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1434   24.2018   24.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9513   20.9012   21.8609 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2533   19.9012   21.5334 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5665   20.8143   22.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2077   23.9810   20.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7302   23.5785   19.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4008   25.0545   20.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5872   23.0242   24.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8351   23.0136   25.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8584   25.4739   24.4730 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2016   21.8602   21.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7712   21.7318   22.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8628   21.6422   21.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8757   25.6103   25.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2080   25.0965   26.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9149   25.2050   25.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7132   27.0914   25.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9696   27.2501   26.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6657   27.5266   26.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3986   27.6337   24.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0
  1  8  1  0
  1  2  1  0
  2  3  2  0
  2 19  1  0
  3  4  1  0
  3 21  1  0
  5  6  1  0
  5 13  1  0
  5 22  1  0
  7 19  2  0
  7 28  1  0
  8  9  1  0
  8 16  1  0
  8 25  1  0
 10 11  1  0
 10 12  1  0
 10 31  1  0
 10 25  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 19 20  1  0
 21 28  2  0
 21 30  1  0
 22 23  1  0
 22 24  1  0
 22 31  1  0
 25 26  1  0
 25 27  1  0
 28 29  1  0
 30 34  1  0
 31 32  1  0
 31 33  1  0
 34 35  1  0
 34 36  1  0
 34 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
M  CHG  1  10   1
M  END
$$$$
t35
     RDKit          3D

 36 38  0  0  1  0  0  0  0  0999 V2000
   33.6383   49.0797   43.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5027   49.2920   43.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5425   49.2722   44.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.2844   49.5310   43.2659 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.2250   49.5616   41.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2205   49.7274   41.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.3011   49.3727   41.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5255   49.1180   41.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4247   48.9578   41.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.1640   49.4075   39.6478 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.1902   49.0073   38.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7556   49.0281   37.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.3765   47.5071   38.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8934   47.1345   39.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.8392   47.1127   37.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.0362   50.0072   38.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4054   50.6082   39.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.1868   48.8278   38.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5707   48.4779   39.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.4840   49.2099   37.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.9315   46.9360   38.7466 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.6157   47.0819   39.7138 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.9674   45.9192   38.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.1575   48.7748   43.7850 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   30.8798   47.5543   37.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3330   47.7208   36.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.1170   46.7792   37.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.0944   50.1949   38.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7538   50.3884   39.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.7265   50.0589   37.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.1286   51.4180   38.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1295   52.0210   39.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.5196   52.0594   37.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.6344   51.0244   37.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5707   50.6207   36.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.0226   51.9330   37.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0
  1  2  1  0
  1 24  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  7 10  1  0
  8  9  1  0
 10 16  1  0
 10 11  1  0
 11 12  1  0
 11 28  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 13 21  1  0
 16 17  1  0
 16 34  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 18 25  1  0
 21 22  1  0
 21 23  1  0
 21 25  1  0
 25 26  1  0
 25 27  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
 31 32  1  0
 31 33  1  0
 31 34  1  0
 34 35  1  0
 34 36  1  0
M  CHG  1  21   1
M  END
$$$$
t36
     RDKit          3D

 28 29  0  0  1  0  0  0  0  0999 V2000
   31.6571   24.2738   27.1182 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.5859   24.3833   33.2034 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.5370   24.9758   34.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.7309   25.0484   32.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.4614   22.1919   29.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3815   21.3629   29.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.9889   23.4250   29.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4574   23.7752   30.6158 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.0327   22.0059   27.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3789   20.4935   27.1973 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   32.0645   24.4192   28.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4738   25.3977   28.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.3162   22.8548   31.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3696   22.3070   31.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.1460   23.0575   26.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8226   22.9495   25.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.2704   23.6916   33.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0856   23.0740   33.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.5112   24.4779   32.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.7553   23.4695   33.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6501   24.0875   33.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.6190   22.8542   34.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.5163   21.8959   31.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3467   21.1341   32.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.6209   21.3651   30.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.8346   22.6224   32.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0927   23.2604   31.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.6427   21.8894   32.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0
  1 15  1  0
  2  3  1  0
  2  4  1  0
  2 20  1  0
  2 17  1  0
  5  6  1  0
  5  7  2  0
  5  9  1  0
  7 11  1  0
  7  8  1  0
  8 13  1  0
  9 15  2  0
  9 10  1  0
 11 12  1  0
 13 14  1  0
 13 23  1  0
 13 17  1  0
 15 16  1  0
 17 18  1  0
 17 19  1  0
 20 21  1  0
 20 22  1  0
 20 26  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
M  CHG  1   2   1
M  END
$$$$
t37
     RDKit          3D

 28 29  0  0  1  0  0  0  0  0999 V2000
   13.5443   51.9047   36.3930 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1396   52.6927   36.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3218   51.5753   36.9839 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2060   49.3596   34.8715 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8961   50.8126   35.1181 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9568   50.2271   34.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7661   51.2441   34.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0874   51.6350   33.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0554   49.9424   35.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0338   50.1896   36.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1036   52.4046   35.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2777   52.8484   34.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8333   53.1815   35.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5288   50.8251   36.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2137   50.5338   37.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6718   51.2433   35.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2568   49.0407   33.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1793   48.5750   33.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0510   49.8789   33.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2423   50.0468   32.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7658   50.0884   34.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9654   50.3952   33.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2549   49.2162   33.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2172   49.2780   32.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3116   48.9986   31.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1497   49.6556   35.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9208   49.1904   36.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3857   48.8903   35.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
  1 14  1  0
  1 11  1  0
  4 17  2  0
  4  9  1  0
  5  7  1  0
  5  6  1  0
  6 19  1  0
  6  9  2  0
  7  8  1  0
  7 21  1  0
  7 11  1  0
  9 10  1  0
 11 12  1  0
 11 13  1  0
 14 15  1  0
 14 16  1  0
 14 26  1  0
 17 18  1  0
 17 24  1  0
 19 20  1  0
 19 24  2  0
 21 22  1  0
 21 23  1  0
 21 26  1  0
 24 25  1  0
 26 27  1  0
 26 28  1  0
M  CHG  1   1   1
M  END
$$$$
t38
     RDKit          3D

 36 37  0  0  0  0  0  0  0  0999 V2000
   16.8961   49.0112   22.3400 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6734   47.8724   22.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8746   47.6363   21.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2459   48.3515   21.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0560   45.7179   23.6935 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8404   48.7511   20.1293 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2872   48.3772   19.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4870   47.9819   20.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6497   46.4883   22.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3409   46.8548   23.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4400   46.9124   24.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6598   49.2521   23.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8280   49.0183   24.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4028   50.3197   23.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3443   50.1181   21.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8582   51.0577   21.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4136   50.3115   21.6341 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1973   45.5648   22.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7362   44.6481   23.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4711   48.4592   22.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7108   47.3961   22.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6701   48.5203   23.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0709   49.8607   19.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5968   50.6347   19.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4942   48.9045   19.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6013   49.9285   19.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5123   49.8916   18.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1216   50.8516   19.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9057   48.9834   21.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6474   50.0445   21.3159 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9922   48.4286   21.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7888   46.4077   21.3049 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5980   45.2471   21.4971 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4614   45.3294   20.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0500   44.3368   21.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9708   45.1923   22.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0
  1 15  1  0
  1  2  1  0
  2  3  2  0
  2 10  1  0
  3  4  1  0
  3  9  1  0
  5 10  2  0
  5 18  1  0
  6  7  1  0
  6  8  1  0
  6 26  1  0
  6 29  1  0
  9 18  2  0
  9 32  1  0
 10 11  1  0
 12 13  1  0
 12 14  1  0
 12 20  1  0
 15 16  1  0
 15 17  1  0
 15 23  1  0
 18 19  1  0
 20 21  1  0
 20 22  1  0
 20 29  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 29 30  1  0
 29 31  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
M  CHG  1   6   1
M  END
$$$$
t39
     RDKit          3D

 45 46  0  0  0  0  0  0  0  0999 V2000
   17.1279   25.9032    8.1933 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2929   25.1375    8.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4860   24.0727    7.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7166   23.8053    6.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5447   24.6385    9.0548 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9482   24.8138    9.9937 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8448   24.3207    9.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4232   24.2078   10.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6580   23.3050    7.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3838   25.3522    9.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3695   26.1494    9.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9686   27.0429    9.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2008   27.7362    8.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8863   27.6413    9.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0611   25.7328    7.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4985   25.5908    6.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4714   26.6523    7.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6512   23.6270    8.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5907   23.0848    8.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1196   24.5759    7.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6694   23.6429    7.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4827   24.4100    6.6378 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6016   26.6045   10.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7226   27.4747   11.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2899   25.8394   10.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6860   22.3031    6.3234 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2035   24.8397    8.7014 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6622   25.7852    8.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4607   24.0351    8.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1688   26.1179   10.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9631   25.9364   11.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4371   26.8476   10.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8705   21.4978    6.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0154   20.9926    7.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7413   22.1237    6.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6852   20.4539    5.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4950   20.9621    4.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7878   19.8611    5.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9051   19.5423    5.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0854   19.0310    6.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7947   20.1406    4.8358 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7151   18.5062    3.9612 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8501   17.8688    4.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5640   18.9864    2.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5993   17.8648    3.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0
  1 15  1  0
  1  2  1  0
  2  3  2  0
  2 10  1  0
  3  4  1  0
  3  9  1  0
  5 10  2  0
  5 18  1  0
  6  7  1  0
  6  8  1  0
  6 27  1  0
  6 30  1  0
  9 18  2  0
  9 26  1  0
 10 11  1  0
 12 13  1  0
 12 14  1  0
 12 23  1  0
 15 16  1  0
 15 17  1  0
 15 20  1  0
 18 19  1  0
 20 21  1  0
 20 22  1  0
 20 27  1  0
 23 24  1  0
 23 25  1  0
 23 30  1  0
 26 33  1  0
 27 28  1  0
 27 29  1  0
 30 31  1  0
 30 32  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
 36 37  1  0
 36 38  1  0
 36 39  1  0
 39 40  1  0
 39 41  1  0
 39 42  1  0
 42 43  1  0
 42 44  1  0
 42 45  1  0
M  CHG  1   6   1
M  END
$$$$
t40
     RDKit          3D

 32 33  0  0  0  0  0  0  0  0999 V2000
   15.2334   41.2406   28.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2261   40.9060   28.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0697   42.2578   29.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9302   42.7418   29.8464 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8612   42.7120   29.7765 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7765   42.1076   29.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8385   42.5266   29.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7980   41.0614   28.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0927   40.6494   27.9173 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2614   39.8534   27.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6509   40.4844   27.7283 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7172   39.4817   26.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7836   39.4724   26.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4813   39.7698   25.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9919   38.0715   27.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2037   37.4379   26.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8911   38.0403   27.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8263   37.4457   27.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0484   36.3904   28.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8904   37.4922   27.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3016   40.9613   28.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2801   42.0578   28.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5713   40.6747   27.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8252   40.4282   29.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5678   40.6096   30.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9329   40.9987   29.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4409   38.9563   29.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6970   38.7232   28.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0089   38.6963   30.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288   38.0715   29.2520 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5499   37.3103   29.9392 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4839   38.5679   29.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  9  2  0
  1  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  8 11  1  0
  9 10  1  0
 11 12  1  0
 11 21  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 18 30  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 30 31  1  0
 30 32  1  0
M  CHG  1  30   1
M  END
$$$$
t41
     RDKit          3D

 32 33  0  0  0  0  0  0  0  0999 V2000
   23.5080   41.2255   33.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1479   40.4796   33.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9421   41.3729   34.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3691   42.2882   35.8812 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4067   43.0823   35.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6968   43.7914   36.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0700   43.0435   34.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5710   42.0642   33.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9908   41.9192   32.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1218   43.8889   33.9117 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.8848   43.7217   32.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8919   44.1457   32.7585 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0612   42.6577   32.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1945   44.3689   31.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7315   44.0452   30.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1655   44.0104   31.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2098   45.8892   31.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8449   46.2638   30.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.2128   46.2954   31.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6524   44.8874   34.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7565   44.4382   35.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.6746   45.1805   34.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.7861   46.1420   34.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7361   45.8936   35.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1149   46.7209   35.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8948   47.0533   33.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9265   47.3406   33.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.3295   47.9720   33.9156 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2825   46.4373   32.5118 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.7054   47.1577   32.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.5954   45.7212   32.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5005   40.2382   35.4802 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  8  2  0
  1  3  1  0
  3  4  2  0
  3 32  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  7 10  1  0
  8  9  1  0
 10 11  1  0
 10 20  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 17 29  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
 29 30  1  0
 29 31  1  0
M  CHG  1  29   1
M  END
$$$$
t42
     RDKit          3D

 32 33  0  0  0  0  0  0  0  0999 V2000
   15.0579   27.2105   26.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3970   27.5124   26.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8542   28.3368   25.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2261   26.8217   27.0387 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6613   25.7841   27.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3790   25.2739   28.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3185   25.3676   27.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5271   26.1391   26.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4713   25.9227   26.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0608   28.1331   25.0165 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.8108   24.2928   28.3872 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3697   23.9673   28.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7780   24.8880   28.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1064   23.4204   29.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9412   23.1442   27.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2356   23.6295   26.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8455   23.1107   27.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4438   21.7091   27.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2107   21.1941   28.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9641   21.1555   26.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9108   21.6329   26.9450 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2377   22.5020   26.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0582   20.9204   26.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6528   23.5253   29.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0321   23.0046   30.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2650   24.2111   29.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5393   22.5036   28.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2771   22.1462   29.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1129   22.9642   27.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7951   21.2883   28.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5209   20.5638   27.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2066   20.7884   28.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0
  1  2  1  0
  1 10  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  7 11  1  0
  8  9  1  0
 11 12  1  0
 11 24  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 21 30  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 30 31  1  0
 30 32  1  0
M  CHG  1  21   1
M  END
$$$$
t43
     RDKit          3D

 37 38  0  0  0  0  0  0  0  0999 V2000
   27.6947   27.8470   39.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6339   28.6126   40.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6889   28.9958   40.9673 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.7822   28.9070   41.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0008   28.3885   40.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1302   27.6428   39.8133 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9896   27.4023   39.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1740   26.7954   38.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2103   27.9454   39.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4582   27.3030   38.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0850   27.7551   40.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.5702   27.5597   38.6526 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.8849   29.4024   38.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9494   29.6529   39.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6456   30.0808   39.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6491   26.7012   37.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2829   25.8299   37.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6676   26.2691   37.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6757   29.6840   37.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3079   30.7088   37.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9443   29.0114   36.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1627   27.4507   36.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1058   27.9658   36.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.3896   26.7049   35.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.9574   29.6162   36.5188 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.0076   30.4560   35.9284 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7573   29.7259   37.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1657   28.4326   35.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1998   27.9682   35.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.5673   28.8264   34.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.6850   29.6286   42.5115 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5831   28.7214   41.9403 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.2373   30.9246   42.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0903   31.2902   41.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.0187   31.6831   43.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6724   32.7075   43.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.1787   31.3009   44.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  1  7  1  0
  1 12  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4 31  1  0
  5  6  1  0
  5 32  1  0
  6  7  2  0
  7  8  1  0
  9 10  1  0
  9 11  1  0
  9 13  1  0
  9 12  1  0
 12 16  1  0
 13 14  1  0
 13 15  1  0
 13 19  1  0
 16 17  1  0
 16 18  1  0
 16 22  1  0
 19 20  1  0
 19 21  1  0
 19 25  1  0
 22 23  1  0
 22 24  1  0
 22 28  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 28 29  1  0
 28 30  1  0
 31 33  1  0
 33 34  1  0
 33 35  2  3
 35 36  1  0
 35 37  1  0
M  CHG  1  25   1
M  END
$$$$
t44
     RDKit          3D

 25 26  0  0  1  0  0  0  0  0999 V2000
   28.6182   39.7100   43.7798 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.6605   40.7124   44.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.3365   39.2606   44.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.8518   33.6755   41.2763 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.2964   37.1552   42.1864 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.7202   36.0947   41.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8390   38.4800   41.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6649   38.5929   40.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6484   38.8682   42.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1819   39.7823   42.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8827   38.0907   42.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.2724   39.1398   44.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4339   38.2193   44.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7111   39.8588   44.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.9025   39.4841   42.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7838   40.4527   41.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.9289   39.1193   42.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.2851   34.8481   41.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1377   34.7620   42.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7913   33.7555   40.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4478   32.8143   40.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6285   36.1326   40.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1148   37.0550   40.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1582   34.9455   40.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3055   34.9516   39.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
  1 12  1  0
  1 15  1  0
  4 20  2  0
  4 18  1  0
  5  7  1  0
  5  6  1  0
  6 22  1  0
  6 18  2  0
  7  8  1  0
  7  9  1  0
  7 15  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 15 16  1  0
 15 17  1  0
 18 19  1  0
 20 21  1  0
 20 24  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
M  CHG  1   1   1
M  END
$$$$
t45
     RDKit          3D

 29 31  0  0  1  0  0  0  0  0999 V2000
   18.6683   36.2492   33.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2094   36.2654   31.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1712   36.0646   31.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2009   37.4914   31.1283 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7781   37.7943   30.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8174   38.3518   31.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1235   36.5562   30.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5903   37.0020   29.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1414   36.5545   33.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2136   37.5137   33.9166 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5731   35.7830   34.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9850   36.6572   32.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9513   37.1321   32.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7882   35.9470   34.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1921   36.3054   36.6158 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.9422   35.3175   30.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3417   35.4087   29.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3664   34.3862   30.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1052   35.3274   31.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0732   34.4619   32.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0569   35.2825   30.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9564   36.5551   35.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7298   37.3021   35.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2065   35.3916   36.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6023   35.2009   37.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7574   35.0032   34.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5731   34.4603   33.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9540   34.7236   35.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1536   33.9918   35.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0
  1  2  2  0
  1 14  1  0
  2  3  1  0
  2  7  1  0
  4  5  1  0
  4  6  1  0
  4 12  1  0
  4  7  1  0
  7  8  1  0
  7 16  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 12 19  1  0
 14 26  1  0
 14 22  2  0
 15 24  2  0
 15 22  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 22 23  1  0
 24 25  1  0
 24 28  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
M  CHG  1   4   1
M  END
$$$$
t46
     RDKit          3D

 32 34  0  0  1  0  0  0  0  0999 V2000
   11.9233   43.0363   34.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4217   42.6107   35.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1044   43.2221   35.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5960   40.3459   34.7716 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3526   39.4321   35.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3865   40.1390   34.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9317   42.1942   33.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4275   41.8998   32.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0507   42.7805   32.9849 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0585   41.2804   35.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9402   40.8231   36.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3155   44.3473   33.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4566   40.9061   33.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1874   40.1565   33.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0902   45.9156   32.9070 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6554   44.7299   33.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4514   44.0603   33.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6126   41.8864   36.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7934   41.7905   36.9309 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6787   42.9568   35.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1352   46.7702   32.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4916   47.7168   32.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9222   41.4161   36.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7499   40.4433   37.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2048   42.1109   37.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2744   41.0953   34.9422 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4373   41.5749   34.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9193   40.1029   35.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3686   45.2641   33.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042   45.0507   33.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7793   46.4903   32.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0541   47.2152   32.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0
  1  2  2  0
  1 12  1  0
  2  3  1  0
  2 10  1  0
  4  5  1  0
  4  6  1  0
  4 13  1  0
  4 10  1  0
  7  8  1  0
  7  9  1  0
  7 13  1  0
 10 11  1  0
 10 23  1  0
 12 29  1  0
 12 16  2  0
 13 14  1  0
 13 26  1  0
 15 21  2  0
 15 16  1  0
 16 17  1  0
 18 19  1  0
 18 20  1  0
 18 26  1  0
 18 23  1  0
 21 22  1  0
 21 31  1  0
 23 24  1  0
 23 25  1  0
 26 27  1  0
 26 28  1  0
 29 30  1  0
 29 31  2  0
 31 32  1  0
M  CHG  1   4   1
M  END
$$$$
t47
     RDKit          3D

 36 38  0  0  1  0  0  0  0  0999 V2000
   36.6443   19.8371   33.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0222   20.2968   34.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5306   20.9265   35.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.8464   19.5975   33.7202 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.8701   19.3649   33.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.7736   20.4299   33.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.0604   20.1669   33.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9071   18.9682   32.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7665   19.5567   31.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.5190   18.0982   32.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.8115   20.7507   31.6611 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.5913   19.9652   34.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0884   20.8425   35.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.5090   18.4861   32.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8979   18.2822   32.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.0212   20.1630   34.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7380   19.9168   35.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.3599   20.4548   34.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.5212   20.4615   31.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.8418   20.4903   31.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.7006   20.7421   32.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7181   20.9791   32.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.1979   20.4206   35.0841 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.0528   17.4827   35.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8011   16.6284   35.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.1486   17.5205   35.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.5050   18.7715   35.9152 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4564   18.6100   36.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.0463   18.9820   36.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.5049   17.2459   33.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0594   16.4277   33.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.4679   16.8990   33.9713 H   0  0  0  0  0  0  0  0  0  0  0  0
   42.5714   20.7155   34.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.6922   21.7360   34.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.1089   20.6492   35.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.0131   19.9817   34.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0
  1  2  2  0
  1  7  1  0
  2  3  1  0
  2 12  1  0
  4  5  1  0
  4  6  1  0
  4 14  1  0
  4 12  1  0
  7 16  2  0
  7 19  1  0
  8  9  1  0
  8 10  1  0
  8 14  1  0
 11 19  2  0
 11 21  1  0
 12 13  1  0
 12 27  1  0
 14 15  1  0
 14 30  1  0
 16 17  1  0
 16 18  1  0
 18 21  2  0
 18 23  1  0
 19 20  1  0
 21 22  1  0
 23 33  1  0
 24 25  1  0
 24 26  1  0
 24 30  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 30 31  1  0
 30 32  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
M  CHG  1   4   1
M  END
$$$$
t48
     RDKit          3D

 32 33  0  0  0  0  0  0  0  0999 V2000
   18.2389   37.8365   15.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8941   37.3106   13.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1426   36.5325   13.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4585   37.7198   12.7824 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4046   38.6962   12.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8129   38.9813   11.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8487   39.3120   14.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2148   38.8353   15.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4648   39.2319   16.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4072   37.2162   16.7512 Br  0  0  0  0  0  0  0  0  0  0  0  0
   20.8281   40.3032   14.1068 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.1746   41.0200   15.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6034   42.0042   15.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2654   41.2505   15.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1580   40.2442   16.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2111   40.7548   17.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7943   39.2306   16.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.5689   40.1780   15.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2354   39.7460   16.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9614   41.1643   15.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6509   39.2749   14.4760 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4515   38.6458   14.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8429   38.6360   14.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4508   40.8206   12.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6810   40.9861   12.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8814   41.8158   13.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5394   39.9001   12.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1796   38.8697   12.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7852   40.2344   11.3144 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8271   39.9144   13.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2310   40.9210   13.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.5829   39.3181   12.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0
  1  2  1  0
  1 10  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  7 11  1  0
  8  9  1  0
 11 12  1  0
 11 24  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 21 30  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 30 31  1  0
 30 32  1  0
M  CHG  1  21   1
M  END
$$$$
t49
     RDKit          3D

 34 35  0  0  1  0  0  0  0  0999 V2000
   33.3809   37.3408   37.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6285   36.8894   37.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4979   36.2772   37.9974 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.0972   36.1319   39.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8278   35.6107   39.9055 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.8798   36.5647   39.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0237   37.1907   38.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0699   37.5999   39.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.5374   36.3872   41.1762 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1262   36.5124   41.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4707   36.1013   40.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.8701   37.5732   41.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.7780   35.7565   42.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1115   36.2900   43.8016 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.6936   35.6212   42.9776 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.5848   36.2977   42.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3123   36.9020   43.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.5231   36.7388   41.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.8218   34.8450   42.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7828   34.7785   43.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.9042   34.2101   41.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.7489   34.2897   43.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9347   33.2264   43.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.7283   34.8014   44.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.3927   34.3881   42.9197 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7645   33.7611   43.4371 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.4080   34.0087   41.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.5489   37.9974   36.7005 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3158   37.4300   36.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1499   36.4617   36.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.3964   38.0314   35.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4298   37.5686   35.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.5853   38.9989   35.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.1809   37.1124   35.3499 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0
  1  2  1  0
  1 28  1  0
  2  3  2  0
  2 34  1  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  6  9  1  0
  7  8  1  0
  9 16  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 13 25  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 28 29  1  0
 29 30  1  0
 29 31  2  3
 31 32  1  0
 31 33  1  0
M  CHG  1  25   1
M  END
$$$$
t50
     RDKit          3D

 26 27  0  0  0  0  0  0  0  0999 V2000
   35.9032   18.7539   49.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7276   18.2017   49.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.7429   18.8375   50.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7381   19.5288   51.4034 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.8661   20.1528   50.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0721   20.6803   51.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.9130   20.1351   49.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9818   19.4116   48.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1420   19.3673   47.5511 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.0009   20.7998   48.3470 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1371   21.8657   48.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3195   21.3983   49.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.7124   22.4939   49.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.5501   22.7884   47.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3331   23.3830   47.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.7943   23.4611   48.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.8889   21.9764   46.7657 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.0787   21.4766   47.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.4989   22.6013   46.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.8295   20.9981   46.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2648   20.4413   45.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.6133   21.5809   45.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.4235   20.0572   47.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1662   19.4282   46.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.6367   19.3915   47.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.9936   17.9484   51.9399 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  8  2  0
  1  3  1  0
  3  4  2  0
  3 26  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  7 10  1  0
  8  9  1  0
 10 11  1  0
 10 23  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
M  CHG  1  17   1
M  END
$$$$
t51
     RDKit          3D

 40 41  0  0  1  0  0  0  0  0999 V2000
   16.1472   16.6880   52.9997 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5193   16.9134   52.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3287   17.0950   54.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9033   17.0382   55.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5456   17.2066   51.5381 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6464   18.1421   52.8968 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4137   18.8228   52.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8194   18.7150   53.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7062   17.3258   53.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2097   16.9867   51.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6824   16.8828   50.7456 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4435   15.9467   51.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1460   15.3371   51.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7502   15.2193   52.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4169   16.9907   54.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5594   16.1729   54.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8356   17.9001   54.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2611   17.3712   52.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3194   17.5451   52.5090 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7074   16.9039   51.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3559   17.7424   50.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4567   16.3737   50.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3589   17.4786   55.1355 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4168   17.4443   51.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6750   16.6548   51.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9783   18.1810   50.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9123   17.2610   54.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5238   17.7816   54.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3386   16.3371   53.9545 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2607   16.5853   57.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7769   17.7139   55.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2681   16.8659   54.5767 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9703   18.6436   54.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3182   17.8579   56.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7141   18.5841   57.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3599   18.1931   56.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7492   16.6942   58.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1352   17.3930   59.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.7937   17.0173   58.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6883   15.7069   58.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0
  1 15  1  0
  1  2  1  0
  2  3  2  0
  2 10  1  0
  3  4  1  0
  3  9  1  0
  5 10  2  0
  5 18  1  0
  6  7  1  0
  6  8  1  0
  6 24  1  0
  6 27  1  0
  9 18  2  0
  9 23  1  0
 10 11  1  0
 12 13  1  0
 12 14  1  0
 12 20  1  0
 15 16  1  0
 15 17  1  0
 15 27  1  0
 18 19  1  0
 20 21  1  0
 20 22  1  0
 20 24  1  0
 23 31  1  0
 24 25  1  0
 24 26  1  0
 27 28  1  0
 27 29  1  0
 30 37  1  0
 30 34  1  0
 31 32  1  0
 31 33  1  0
 31 34  1  0
 34 35  1  0
 34 36  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
M  CHG  1   6   1
M  END
$$$$
t52
     RDKit          3D

 42 43  0  0  1  0  0  0  0  0999 V2000
   26.9891   48.3434   57.0043 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.1677   49.6532   56.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3317   50.0777   55.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1315   49.3722   55.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.3292   51.9619   56.3614 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.3144   46.7304   59.3849 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6358   47.6838   59.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.6786   46.1552   60.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.5062   51.3978   55.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6886   51.6565   54.8454 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2136   50.6651   56.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2808   50.4590   57.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6345   47.7826   57.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9122   48.3507   56.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.5969   46.7685   56.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.9110   53.0053   54.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1418   53.2865   53.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.8698   53.6869   55.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.1480   47.4272   57.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4004   47.0227   56.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.0185   47.9899   57.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.4784   52.2964   55.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5298   53.3376   55.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1976   47.7820   58.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4182   48.7485   59.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1101   47.6545   58.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8292   46.6712   59.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5195   45.6794   59.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.5371   46.7721   60.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.9606   46.2658   58.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9357   45.8446   58.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.3499   45.4581   57.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.2943   53.0932   53.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3369   52.3544   52.9376 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.5149   54.4827   53.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7418   54.7182   52.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.4853   54.5436   52.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.4865   55.2549   53.9327 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.4112   52.7527   54.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4105   53.4411   55.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.3909   52.8202   54.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.3045   51.7353   55.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0
  1 19  1  0
  1  2  1  0
  2  3  2  0
  2 11  1  0
  3  4  1  0
  3  9  1  0
  5 11  2  0
  5 22  1  0
  6  7  1  0
  6  8  1  0
  6 27  1  0
  6 30  1  0
  9 22  2  0
  9 10  1  0
 10 16  1  0
 11 12  1  0
 13 14  1  0
 13 15  1  0
 13 24  1  0
 16 17  1  0
 16 18  1  0
 16 33  1  0
 19 20  1  0
 19 21  1  0
 19 30  1  0
 22 23  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 30 31  1  0
 30 32  1  0
 33 34  1  0
 33 35  1  0
 33 39  1  0
 35 36  1  0
 35 37  1  0
 35 38  1  0
 39 40  1  0
 39 41  1  0
 39 42  1  0
M  CHG  1   6   1
M  END
$$$$
t53
     RDKit          3D

 43 45  0  0  1  0  0  0  0  0999 V2000
   14.2183   17.4355   23.0032 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1022   17.1536   21.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9867   17.5373   20.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1618   18.0785   21.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0404   16.1686   19.5846 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7235   20.1381   24.0927 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6906   21.1619   24.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9394   19.8203   25.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4763   17.8144   18.5869 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8966   17.2744   19.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1978   19.2650   17.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4623   19.6339   17.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0691   18.9462   17.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0821   16.4629   20.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9877   16.0965   21.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4984   17.3046   23.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9733   16.3356   23.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3121   17.2937   24.7988 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1745   18.1705   23.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2270   17.8767   24.8162 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1671   17.8769   23.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5610   20.3879   18.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9428   16.5864   18.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9269   16.3476   17.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4538   18.4509   23.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0645   18.1872   22.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1613   18.5386   24.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8210   19.8088   23.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5805   20.5892   23.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4269   19.8833   22.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3440   19.6962   23.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1707   20.0713   22.6659 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6403   20.1895   24.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9047   20.6719   18.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7012   20.0854   18.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5619   21.1633   19.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5089   20.9662   19.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2398   21.7056   19.8447 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2879   21.9180   20.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8996   22.1950   20.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1154   22.7884   20.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2379   22.4654   20.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5018   23.2712   21.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0
  1 19  1  0
  1  2  1  0
  2  3  2  0
  2 14  1  0
  3  4  1  0
  3 10  1  0
  5 14  2  0
  5 23  1  0
  6  7  1  0
  6  8  1  0
  6 28  1  0
  6 31  1  0
  9 11  1  0
  9 10  1  0
 10 23  2  0
 11 12  1  0
 11 13  1  0
 11 22  1  0
 14 15  1  0
 16 17  1  0
 16 18  1  0
 16 25  1  0
 19 20  1  0
 19 21  1  0
 19 31  1  0
 22 34  2  0
 22 36  1  0
 23 24  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 28 29  1  0
 28 30  1  0
 31 32  1  0
 31 33  1  0
 34 35  1  0
 34 38  1  0
 36 37  1  0
 36 40  2  0
 38 39  1  0
 38 42  2  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
M  CHG  1   6   1
M  END
$$$$
t54
     RDKit          3D

 25 26  0  0  1  0  0  0  0  0999 V2000
   28.5587   32.8939   35.6782 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.1893   37.6181   34.3238 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6491   38.4403   34.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.7029   37.2556   35.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.4700   34.8655   33.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4616   35.6007   32.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.5486   34.8934   34.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5441   35.8005   34.8899 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.4325   33.8561   33.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4688   36.9315   34.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4642   37.3403   33.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.5867   33.7936   32.3625 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   27.6353   33.8896   35.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9327   33.8687   36.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6645   36.5962   32.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7863   37.3833   32.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.9310   35.6367   32.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.4423   32.9043   34.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1762   32.1039   34.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2312   36.5747   33.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9705   35.6198   33.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4994   36.8271   32.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6022   38.0070   34.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7708   38.9925   34.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6879   38.0477   35.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0
  1 18  1  0
  2  3  1  0
  2  4  1  0
  2 20  1  0
  2 23  1  0
  5  6  1  0
  5  7  2  0
  5  9  1  0
  7 13  1  0
  7  8  1  0
  8 10  1  0
  9 18  2  0
  9 12  1  0
 10 11  1  0
 10 15  1  0
 10 23  1  0
 13 14  1  0
 15 16  1  0
 15 17  1  0
 15 20  1  0
 18 19  1  0
 20 21  1  0
 20 22  1  0
 23 24  1  0
 23 25  1  0
M  CHG  1   2   1
M  END
$$$$
t55
     RDKit          3D

 29 30  0  0  1  0  0  0  0  0999 V2000
    9.2440   23.7131   16.7022 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1571   21.7897   18.5735 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8014   21.2886   17.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6214   21.0474   19.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1445   23.7808   15.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4589   24.0217   14.8192 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5504   24.3751   17.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3038   25.1587   17.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   24.9082   18.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8802   23.1697   16.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2403   23.9392   16.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9297   22.3331   15.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5259   23.9520   15.8119 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9605   24.0221   16.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0431   23.3610   19.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7959   22.6980   18.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5412   23.8987   19.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9297   22.5242   19.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2273   23.1314   20.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3551   21.7678   20.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2035   22.6135   17.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3730   21.9565   17.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8036   23.4059   18.3997 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9975   23.9142   13.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7443   23.9727   12.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7398   23.6757   14.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6922   23.5611   14.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6602   23.7425   13.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3354   23.6647   12.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0
  1 10  1  0
  1  5  1  0
  2  3  1  0
  2  4  1  0
  2 18  1  0
  2 21  1  0
  5 26  1  0
  5 13  2  0
  6 24  2  0
  6 13  1  0
  7  8  1  0
  7  9  1  0
  7 15  1  0
 10 11  1  0
 10 12  1  0
 10 21  1  0
 13 14  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 21 22  1  0
 21 23  1  0
 24 25  1  0
 24 28  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
M  CHG  1   2   1
M  END
$$$$
t56
     RDKit          3D

 25 26  0  0  1  0  0  0  0  0999 V2000
   18.0089   34.1912   45.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2831   33.1406   45.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0169   34.8677   44.3810 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6802   36.1754   44.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6881   36.7110   43.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3406   36.8252   45.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0766   37.8787   45.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3422   36.1026   46.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0723   36.6214   47.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6838   34.7535   46.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7322   33.9114   47.8679 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4300   34.4761   49.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1243   35.2917   49.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4010   34.8539   49.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5577   33.3913   50.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1795   33.7450   51.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9336   32.1057   49.8403 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0064   31.9369   50.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8867   31.9647   48.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0333   31.3760   50.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8003   31.0874   51.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3756   30.5020   49.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8948   32.6357   50.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5235   32.6465   49.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5045   32.8876   51.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1 10  2  0
  1  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 15 23  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
M  CHG  1  17   1
M  END
$$$$