BHIO47
-OEChem-04012115432D
52 53 0 0 0 0 0 0 0999 V2000
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8.9073 -1.3592 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
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6.4347 -2.1218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4128 -2.3297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -1.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5981 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -1.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4951 -2.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.0774 -2.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -1.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -2.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.9030 -1.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9030 0.0487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0560 0.2757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8291 -0.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2181 2.8727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.4927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9781 2.8727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 1.2527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2181 1.8727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 2.4927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5981 2.4927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 1.8727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5981 1.2527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.6827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.5627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9379 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6660 -2.7642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0469 -1.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3187 -1.4677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5758 -3.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4418 -3.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5790 -2.5083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
1 21 1 0 0 0 0
2 21 1 0 0 0 0
2 22 1 0 0 0 0
3 10 1 0 0 0 0
3 45 1 0 0 0 0
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8 10 2 0 0 0 0
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9 18 2 0 0 0 0
11 25 1 0 0 0 0
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12 28 1 0 0 0 0
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15 37 1 0 0 0 0
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17 19 2 0 0 0 0
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22 23 1 0 0 0 0
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23 24 1 0 0 0 0
23 48 1 0 0 0 0
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24 50 1 0 0 0 0
24 51 1 0 0 0 0
24 52 1 0 0 0 0
M END
$$$$