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1-1
Cerius2 12120216093D 1 1.00000
Structure written by MMmdl.
39 41 0 0 0 0 0 0 0 0999 V2000
27.7051 22.0403 17.0243 C 0 0 0 0 0 0
26.4399 22.0976 16.4318 N 0 0 0 0 0 0
25.5381 21.4424 17.2831 C 0 0 0 0 0 0
26.2525 20.9753 18.3748 C 0 0 0 0 0 0
27.5943 21.3608 18.2218 C 0 0 0 0 0 0
24.0821 21.3670 17.1082 C 0 0 0 0 0 0
26.1324 22.6824 15.1634 C 0 0 0 0 0 0
23.4105 22.2668 16.2675 C 0 0 0 0 0 0
22.0220 22.2007 16.1197 C 0 0 0 0 0 0
21.2976 21.2409 16.8307 C 0 0 0 0 0 0
21.9509 20.3402 17.6750 C 0 0 0 0 0 0
23.3399 20.4115 17.8175 C 0 0 0 0 0 0
26.3695 24.0457 14.9358 C 0 0 0 0 0 0
26.0627 24.6119 13.6959 C 0 0 0 0 0 0
25.5236 23.8179 12.6910 C 0 0 0 0 0 0
25.2821 22.4660 12.9010 C 0 0 0 0 0 0
25.5848 21.8942 14.1391 C 0 0 0 0 0 0
25.2311 24.3643 11.5034 F 0 0 0 0 0 0
28.9655 22.5443 16.4025 C 0 0 0 0 0 0
19.5328 21.1457 16.6315 S 0 0 0 0 0 0
19.0413 22.4851 16.3229 O 0 0 0 0 0 0
18.9873 20.4577 17.7975 O 0 0 0 0 0 0
19.3258 20.1152 15.2035 C 0 0 0 0 0 0
25.8309 20.4354 19.2156 H 0 0 0 0 0 0
28.4100 21.1477 18.9041 H 0 0 0 0 0 0
23.9630 23.0298 15.7210 H 0 0 0 0 0 0
21.5209 22.9035 15.4575 H 0 0 0 0 0 0
21.3956 19.5863 18.2287 H 0 0 0 0 0 0
23.8404 19.7079 18.4815 H 0 0 0 0 0 0
26.7480 24.6961 15.7203 H 0 0 0 0 0 0
26.2341 25.6696 13.5167 H 0 0 0 0 0 0
24.8658 21.8592 12.1019 H 0 0 0 0 0 0
25.4187 20.8273 14.2701 H 0 0 0 0 0 0
29.8338 22.0387 16.8401 H 0 0 0 0 0 0
29.0870 23.6157 16.5858 H 0 0 0 0 0 0
28.9947 22.3510 15.3261 H 0 0 0 0 0 0
18.2555 20.0118 15.0126 H 0 0 0 0 0 0
19.7633 19.1356 15.4046 H 0 0 0 0 0 0
19.8115 20.5898 14.3489 H 0 0 0 0 0 0
1 2 1 0 0 0
1 5 2 0 0 0
1 19 1 0 0 0
2 3 1 0 0 0
2 7 1 0 0 0
3 4 2 0 0 0
3 6 1 0 0 0
4 5 1 0 0 0
4 24 1 0 0 0
5 25 1 0 0 0
6 8 2 0 0 0
6 12 1 0 0 0
7 13 2 0 0 0
7 17 1 0 0 0
8 9 1 0 0 0
8 26 1 0 0 0
9 10 2 0 0 0
9 27 1 0 0 0
10 11 1 0 0 0
10 20 1 0 0 0
11 12 2 0 0 0
11 28 1 0 0 0
12 29 1 0 0 0
13 14 1 0 0 0
13 30 1 0 0 0
14 15 2 0 0 0
14 31 1 0 0 0
15 16 1 0 0 0
15 18 1 0 0 0
16 17 2 0 0 0
16 32 1 0 0 0
17 33 1 0 0 0
19 34 1 0 0 0
19 35 1 0 0 0
19 36 1 0 0 0
20 21 2 0 0 0
20 22 2 0 0 0
20 23 1 0 0 0
23 37 1 0 0 0
23 38 1 0 0 0
23 39 1 0 0 0
M END
$$$$
-ISIS- 03290413112D
30 33 0 0 0 0 0 0 0 0999 V2000
0.9875 -0.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.3458 -2.0958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.3292 -2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0125 -1.6125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.5500 -1.6208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2167 -2.0792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.8375 -0.4208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.5500 -3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2167 -0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2417 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5625 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8583 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1125 -1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3792 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1000 -3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0542 0.4833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.9875 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9000 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9000 -2.9833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3458 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6667 -3.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7250 1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4875 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8750 0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6292 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9000 2.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.3167 3.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7792 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7417 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8458 -2.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 5 1 0 0 0 0
3 2 1 0 0 0 0
4 1 1 0 0 0 0
5 11 1 0 0 0 0
6 4 1 0 0 0 0
7 1 1 0 0 0 0
8 10 1 0 0 0 0
9 1 1 0 0 0 0
10 6 1 0 0 0 0
11 9 1 0 0 0 0
12 4 1 0 0 0 0
13 2 1 0 0 0 0
14 7 1 0 0 0 0
15 3 1 0 0 0 0
7 16 1 1 0 0 0
1 17 1 1 0 0 0
18 13 1 0 0 0 0
19 18 1 0 0 0 0
2 20 1 1 0 0 0
19 21 1 1 0 0 0
22 23 1 0 0 0 0
23 16 1 0 0 0 0
24 16 1 0 0 0 0
25 22 1 0 0 0 0
26 25 1 0 0 0 0
27 26 1 0 0 0 0
28 26 1 0 0 0 0
4 29 1 6 0 0 0
5 30 1 6 0 0 0
14 12 1 0 0 0 0
5 6 1 0 0 0 0
3 8 2 0 0 0 0
19 15 1 0 0 0 0
M END
$$$$
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