BBIF97
-OEChem-04012115312D
40 44 0 1 0 0 0 0 0999 V2000
3.0136 -4.7800 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.9461 0.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0928 3.4314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3578 0.6901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4549 -0.7142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1363 -3.0079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7547 -1.0447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1908 -2.6824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8340 2.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4613 1.8734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1193 2.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8562 4.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2330 1.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7222 4.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4918 2.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4797 1.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2641 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7002 -1.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8910 -2.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7418 -2.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5271 -3.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5173 -3.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2394 2.9345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9250 3.4019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5335 2.6099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5515 4.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3133 3.9806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0380 1.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8269 1.7789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3040 4.9945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4590 5.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0858 2.7448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6867 3.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4256 2.3003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8598 1.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0412 -0.9160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3129 -2.6248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9241 -4.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4138 -1.4989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
10 2 1 6 0 0 0
2 17 1 0 0 0 0
3 11 1 0 0 0 0
3 14 1 0 0 0 0
3 15 1 0 0 0 0
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4 17 2 0 0 0 0
5 17 1 0 0 0 0
5 18 1 0 0 0 0
5 37 1 0 0 0 0
6 8 1 0 0 0 0
6 19 1 0 0 0 0
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7 18 2 0 0 0 0
7 23 1 0 0 0 0
8 23 2 0 0 0 0
9 10 1 0 0 0 0
9 12 1 0 0 0 0
9 13 1 0 0 0 0
9 24 1 0 0 0 0
10 11 1 0 0 0 0
10 16 1 0 0 0 0
11 25 1 0 0 0 0
11 26 1 0 0 0 0
12 14 1 0 0 0 0
12 27 1 0 0 0 0
12 28 1 0 0 0 0
13 15 1 0 0 0 0
13 29 1 0 0 0 0
13 30 1 0 0 0 0
14 31 1 0 0 0 0
14 32 1 0 0 0 0
15 33 1 0 0 0 0
15 34 1 0 0 0 0
16 35 1 0 0 0 0
16 36 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 22 1 0 0 0 0
20 38 1 0 0 0 0
21 22 2 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
M END
$$$$