BVRB31
-OEChem-04022110252D
54 56 0 0 0 0 0 0 0999 V2000
5.4641 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4082 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8067 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5560 -3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1760 -4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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26 53 1 0 0 0 0
26 54 1 0 0 0 0
M END
$$$$