BS1N8Z
-OEChem-04022109442D
49 51 0 1 0 0 0 0 0999 V2000
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10.6603 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
8.9282 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5252 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7953 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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2 25 2 0 0 0 0
3 6 1 0 0 0 0
3 49 1 0 0 0 0
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25 26 1 0 0 0 0
26 48 1 0 0 0 0
M END
$$$$