BXA6F7
-OEChem-04012113592D
57 61 0 1 0 0 0 0 0999 V2000
2.7320 2.8261 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.2320 3.6921 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -6.1739 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 2.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2731 4.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1546 3.7986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5519 6.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6551 4.4139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 5.3649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.8261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 2.8261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 1.3261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7320 1.8261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 3.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 1.5213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7320 2.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 3.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7210 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 5.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -6.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5540 0.9808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 3.8010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 3.8010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0228 1.4251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5560 1.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1760 0.7891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1317 0.3782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9136 -0.0185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3103 0.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5997 5.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -4.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -4.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -5.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -6.7939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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20 23 2 0 0 0 0
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32 34 2 0 0 0 0
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33 35 2 0 0 0 0
34 35 1 0 0 0 0
34 56 1 0 0 0 0
35 57 1 0 0 0 0
M END
$$$$