BH1A5C
-OEChem-04022110132D
54 57 0 0 0 0 0 0 0999 V2000
7.2067 -0.7632 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.2837 -4.3510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0158 -5.3510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9280 0.9969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6913 1.8059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0158 -1.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8248 -0.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0158 -2.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5158 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5158 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1497 -2.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8818 -2.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7758 -1.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1497 -3.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0158 -4.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8818 -3.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1701 3.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3457 1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 4.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1646 3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 2.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7524 2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3511 1.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9334 0.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 5.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 4.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1035 0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 5.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 5.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4177 -3.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8818 -5.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6128 -2.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4187 -2.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5842 -1.6619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3655 -1.2638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9674 -0.4826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4187 -4.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4168 3.9903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1468 2.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3690 2.6797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0990 1.0304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6813 0.3260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6056 5.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3356 3.4575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6534 6.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 4.7681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0423 6.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7277 -3.3140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8807 -3.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1077 -4.3879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5718 -6.3879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4187 -6.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1918 -5.3140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 10 1 0 0 0 0
2 14 1 0 0 0 0
2 31 1 0 0 0 0
3 15 1 0 0 0 0
3 32 1 0 0 0 0
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4 24 2 0 0 0 0
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6 7 2 0 0 0 0
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17 20 2 0 0 0 0
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20 22 1 0 0 0 0
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21 23 2 0 0 0 0
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23 42 1 0 0 0 0
24 43 1 0 0 0 0
25 28 1 0 0 0 0
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26 29 2 0 0 0 0
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28 30 2 0 0 0 0
28 46 1 0 0 0 0
29 30 1 0 0 0 0
29 47 1 0 0 0 0
30 48 1 0 0 0 0
31 49 1 0 0 0 0
31 50 1 0 0 0 0
31 51 1 0 0 0 0
32 52 1 0 0 0 0
32 53 1 0 0 0 0
32 54 1 0 0 0 0
M END
$$$$