B3O1YG
-OEChem-04022101392D
66 70 0 0 0 0 0 0 0999 V2000
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13.4580 -2.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.8660 0.6161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0084 0.9209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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10.5920 0.1161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.3839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0920 -4.2140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3191 1.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5920 0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6512 2.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9619 3.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6727 2.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0920 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2940 4.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9404 3.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0049 3.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3155 4.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0920 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.0920 -2.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8660 1.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7016 2.3593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.5039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9020 0.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 0.9261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4801 1.8201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4866 4.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3982 3.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9015 4.5658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4020 -0.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9720 -1.6159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2120 -1.6159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7820 -3.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.1939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7120 -4.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7820 -4.7509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.1939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 0.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
$$$$