BP7AL9
-OEChem-04012114032D
77 80 0 1 0 0 0 0 0999 V2000
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6.2619 -2.7539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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7.6138 -1.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7555 -1.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3431 0.2666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 -0.9987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5708 -0.9181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -1.9492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2619 -2.7539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6783 -3.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 0.1581 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2566 0.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6103 0.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9244 -0.3800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -1.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9030 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9209 1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2531 2.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8994 2.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5278 -0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4633 0.1130 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
13.4848 -0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5637 3.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2101 3.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1312 -0.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1957 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8385 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1742 -1.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8170 0.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 3.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7740 1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1097 -0.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2908 -1.8530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5436 -3.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4272 -4.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2156 -3.8679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6922 -0.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5749 -0.5372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7830 0.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0254 0.9395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0633 1.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2277 0.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3385 -0.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.1339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.3739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5719 -3.2909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4293 0.1538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6717 0.4015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.9439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.5639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3782 -1.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0279 -1.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6464 2.4693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3135 1.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0700 0.2408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1497 4.0092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8168 3.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6048 -0.9589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3624 -1.2066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0030 -1.8393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4244 0.9063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5882 -1.5052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0096 1.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7349 4.3432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3633 0.8709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9666 1.6528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1847 1.2561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2375 -1.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7164 -0.2972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9818 0.1816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
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10 2 1 6 0 0 0
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39 76 1 0 0 0 0
39 77 1 0 0 0 0
M END
$$$$