BIV78W
-OEChem-04012113392D
50 52 0 0 0 0 0 0 0999 V2000
5.3147 3.9503 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.7142 -3.8485 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3147 3.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3147 3.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7632 -4.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6653 -3.5394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 1.3570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 4.9503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0232 -4.7995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 1.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 2.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 2.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 0.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 2.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 2.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7872 -0.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8148 0.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 2.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7653 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1180 -1.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0933 -1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4052 -2.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0743 -2.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4270 -2.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 1.1403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8927 3.4872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0457 3.2603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2727 2.4133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2779 -0.2258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1249 -0.4526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3517 0.3944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3568 2.4133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5837 3.2603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7368 3.4872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1802 -0.7425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5116 -1.6095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5269 -0.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8411 -1.7321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6597 -1.4179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6808 -2.2832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0122 -3.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8517 5.2603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 5.2603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6084 -5.2603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6297 -4.9284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 9 1 0 0 0 0
1 13 1 0 0 0 0
2 6 2 0 0 0 0
2 7 2 0 0 0 0
2 10 1 0 0 0 0
2 27 1 0 0 0 0
3 8 1 0 0 0 0
3 21 1 0 0 0 0
8 15 2 0 0 0 0
9 47 1 0 0 0 0
9 48 1 0 0 0 0
10 49 1 0 0 0 0
10 50 1 0 0 0 0
11 12 2 0 0 0 0
11 14 1 0 0 0 0
11 15 1 0 0 0 0
12 13 1 0 0 0 0
12 19 1 0 0 0 0
13 16 2 0 0 0 0
14 18 2 0 0 0 0
14 22 1 0 0 0 0
15 17 1 0 0 0 0
16 18 1 0 0 0 0
16 23 1 0 0 0 0
17 20 1 0 0 0 0
17 21 2 0 0 0 0
18 30 1 0 0 0 0
19 31 1 0 0 0 0
19 32 1 0 0 0 0
19 33 1 0 0 0 0
20 24 2 0 0 0 0
20 25 1 0 0 0 0
21 26 1 0 0 0 0
22 34 1 0 0 0 0
22 35 1 0 0 0 0
22 36 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
23 39 1 0 0 0 0
24 28 1 0 0 0 0
24 40 1 0 0 0 0
25 29 2 0 0 0 0
25 41 1 0 0 0 0
26 42 1 0 0 0 0
26 43 1 0 0 0 0
26 44 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
28 45 1 0 0 0 0
29 46 1 0 0 0 0
M END
$$$$