BKY97M
-OEChem-04022100482D
45 47 0 1 0 0 0 0 0999 V2000
6.2160 2.7235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5030 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.6337 3.4280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 0.7348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8448 4.9970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.9970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8147 1.7054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3147 0.8394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8366 1.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6456 0.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2215 2.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9427 4.3790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6337 3.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1337 4.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3247 4.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8938 4.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4246 2.1872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5369 0.2605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7718 2.1141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2166 1.4975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3356 -0.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1472 -0.2682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3811 3.9406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0272 3.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6985 2.8114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5485 5.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7188 5.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0147 4.9159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7583 4.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 0.5856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -0.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5614 0.1684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6737 1.2364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.8070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.8070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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8 4 1 1 0 0 0
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6 24 3 0 0 0 0
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7 25 1 0 0 0 0
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12 18 1 1 0 0 0
12 31 1 0 0 0 0
13 15 1 0 0 0 0
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14 35 1 0 0 0 0
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22 45 1 0 0 0 0
23 24 1 0 0 0 0
M END
$$$$