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
$$$$
t54
RDKit 3D
25 26 0 0 1 0 0 0 0 0999 V2000
28.5587 32.8939 35.6782 N 0 0 0 0 0 0 0 0 0 0 0 0
24.1893 37.6181 34.3238 N 0 0 0 0 0 0 0 0 0 0 0 0
23.6491 38.4403 34.0231 H 0 0 0 0 0 0 0 0 0 0 0 0
23.7029 37.2556 35.1542 H 0 0 0 0 0 0 0 0 0 0 0 0
28.4700 34.8655 33.6675 C 0 0 0 0 0 0 0 0 0 0 0 0
28.4616 35.6007 32.8704 H 0 0 0 0 0 0 0 0 0 0 0 0
27.5486 34.8934 34.7116 C 0 0 0 0 0 0 0 0 0 0 0 0
26.5441 35.8005 34.8899 O 0 0 0 0 0 0 0 0 0 0 0 0
29.4325 33.8561 33.6364 C 0 0 0 0 0 0 0 0 0 0 0 0
26.4688 36.9315 34.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
27.4642 37.3403 33.8017 H 0 0 0 0 0 0 0 0 0 0 0 0
30.5867 33.7936 32.3625 Cl 0 0 0 0 0 0 0 0 0 0 0 0
27.6353 33.8896 35.6783 C 0 0 0 0 0 0 0 0 0 0 0 0
26.9327 33.8687 36.5095 H 0 0 0 0 0 0 0 0 0 0 0 0
25.6645 36.5962 32.7576 C 0 0 0 0 0 0 0 0 0 0 0 0
25.7863 37.3833 32.0053 H 0 0 0 0 0 0 0 0 0 0 0 0
25.9310 35.6367 32.3044 H 0 0 0 0 0 0 0 0 0 0 0 0
29.4423 32.9043 34.6484 C 0 0 0 0 0 0 0 0 0 0 0 0
30.1762 32.1039 34.6575 H 0 0 0 0 0 0 0 0 0 0 0 0
24.2312 36.5747 33.2539 C 0 0 0 0 0 0 0 0 0 0 0 0
23.9705 35.6198 33.7218 H 0 0 0 0 0 0 0 0 0 0 0 0
23.4994 36.8271 32.4832 H 0 0 0 0 0 0 0 0 0 0 0 0
25.6022 38.0070 34.6647 C 0 0 0 0 0 0 0 0 0 0 0 0
25.7708 38.9925 34.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
25.6879 38.0477 35.7534 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0
1 18 1 0
2 3 1 0
2 4 1 0
2 20 1 0
2 23 1 0
5 6 1 0
5 7 2 0
5 9 1 0
7 13 1 0
7 8 1 0
8 10 1 0
9 18 2 0
9 12 1 0
10 11 1 0
10 15 1 0
10 23 1 0
13 14 1 0
15 16 1 0
15 17 1 0
15 20 1 0
18 19 1 0
20 21 1 0
20 22 1 0
23 24 1 0
23 25 1 0
M CHG 1 2 1
M END
$$$$
t55
RDKit 3D
29 30 0 0 1 0 0 0 0 0999 V2000
9.2440 23.7131 16.7022 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1571 21.7897 18.5735 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8014 21.2886 17.9453 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6214 21.0474 19.0381 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1445 23.7808 15.6408 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4589 24.0217 14.8192 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5504 24.3751 17.9805 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3038 25.1587 17.8453 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6667 24.9082 18.3553 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8802 23.1697 16.4963 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2403 23.9392 16.0514 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9297 22.3331 15.7884 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5259 23.9520 15.8119 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9605 24.0221 16.8068 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0431 23.3610 19.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7959 22.6980 18.5608 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5412 23.8987 19.8209 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9297 22.5242 19.6125 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2273 23.1314 20.1939 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3551 21.7678 20.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2035 22.6135 17.7598 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3730 21.9565 17.4784 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8036 23.4059 18.3997 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9975 23.9142 13.5568 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7443 23.9727 12.7680 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7398 23.6757 14.3033 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6922 23.5611 14.0369 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6602 23.7425 13.2531 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3354 23.6647 12.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0
1 10 1 0
1 5 1 0
2 3 1 0
2 4 1 0
2 18 1 0
2 21 1 0
5 26 1 0
5 13 2 0
6 24 2 0
6 13 1 0
7 8 1 0
7 9 1 0
7 15 1 0
10 11 1 0
10 12 1 0
10 21 1 0
13 14 1 0
15 16 1 0
15 17 1 0
15 18 1 0
18 19 1 0
18 20 1 0
21 22 1 0
21 23 1 0
24 25 1 0
24 28 1 0
26 27 1 0
26 28 2 0
28 29 1 0
M CHG 1 2 1
M END
$$$$
t56
RDKit 3D
25 26 0 0 1 0 0 0 0 0999 V2000
18.0089 34.1912 45.5625 C 0 0 0 0 0 0 0 0 0 0 0 0
18.2831 33.1406 45.4931 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0169 34.8677 44.3810 N 0 0 0 0 0 0 0 0 0 0 0 0
17.6802 36.1754 44.4406 C 0 0 0 0 0 0 0 0 0 0 0 0
17.6881 36.7110 43.4941 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3406 36.8252 45.6163 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0766 37.8787 45.6064 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3422 36.1026 46.8105 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0723 36.6214 47.7259 H 0 0 0 0 0 0 0 0 0 0 0 0
17.6838 34.7535 46.7948 C 0 0 0 0 0 0 0 0 0 0 0 0
17.7322 33.9114 47.8679 O 0 0 0 0 0 0 0 0 0 0 0 0
17.4300 34.4761 49.1539 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1243 35.2917 49.3824 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4010 34.8539 49.1547 H 0 0 0 0 0 0 0 0 0 0 0 0
17.5577 33.3913 50.2256 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1795 33.7450 51.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9336 32.1057 49.8403 N 0 0 0 0 0 0 0 0 0 0 0 0
16.0064 31.9369 50.2452 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8867 31.9647 48.8213 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0333 31.3760 50.4836 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8003 31.0874 51.5143 H 0 0 0 0 0 0 0 0 0 0 0 0
18.3756 30.5020 49.9247 H 0 0 0 0 0 0 0 0 0 0 0 0
18.8948 32.6357 50.3456 C 0 0 0 0 0 0 0 0 0 0 0 0
19.5235 32.6465 49.4487 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5045 32.8876 51.2162 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 10 2 0
1 3 1 0
3 4 2 0
4 5 1 0
4 6 1 0
6 7 1 0
6 8 2 0
8 9 1 0
8 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
12 14 1 0
12 15 1 0
15 16 1 0
15 23 1 0
15 17 1 0
17 18 1 0
17 19 1 0
17 20 1 0
20 21 1 0
20 22 1 0
20 23 1 0
23 24 1 0
23 25 1 0
M CHG 1 17 1
M END
$$$$
|