BM2S1I
-OEChem-04022107342D
53 55 0 1 0 0 0 0 0999 V2000
4.7026 0.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9010 3.4117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7254 5.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0314 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.3187 4.1162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5116 -0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6808 0.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0875 1.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -5.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -5.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4997 2.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -5.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9064 3.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 -3.0063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 -3.0063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -1.9487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -2.6390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -0.4487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -1.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8626 -1.5564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0656 -1.5564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6405 -1.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.7214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.7214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7974 -0.2597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -5.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -5.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -6.1514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7041 1.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -3.7214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -3.7214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -5.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -5.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8831 2.3288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -6.1514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7020 4.0514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3610 5.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 16 1 0 0 0 0
2 10 1 0 0 0 0
2 20 1 0 0 0 0
3 29 2 0 0 0 0
4 6 1 0 0 0 0
4 53 1 0 0 0 0
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5 8 1 0 0 0 0
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6 52 1 0 0 0 0
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7 31 1 0 0 0 0
8 11 1 0 0 0 0
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10 36 1 0 0 0 0
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11 14 2 0 0 0 0
11 15 1 0 0 0 0
12 13 2 0 0 0 0
13 17 1 0 0 0 0
13 38 1 0 0 0 0
14 18 1 0 0 0 0
14 39 1 0 0 0 0
15 19 2 0 0 0 0
15 40 1 0 0 0 0
16 17 2 0 0 0 0
16 22 1 0 0 0 0
17 41 1 0 0 0 0
18 21 2 0 0 0 0
18 42 1 0 0 0 0
19 21 1 0 0 0 0
19 43 1 0 0 0 0
20 23 2 0 0 0 0
20 24 1 0 0 0 0
21 44 1 0 0 0 0
22 27 2 0 0 0 0
22 45 1 0 0 0 0
23 25 1 0 0 0 0
23 46 1 0 0 0 0
24 26 2 0 0 0 0
24 47 1 0 0 0 0
25 28 2 0 0 0 0
25 48 1 0 0 0 0
26 28 1 0 0 0 0
26 49 1 0 0 0 0
27 29 1 0 0 0 0
27 50 1 0 0 0 0
28 51 1 0 0 0 0
M END
$$$$