BC4N0Y
-OEChem-04022102242D
44 46 0 0 0 0 0 0 0999 V2000
10.9457 -3.7211 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.3029 -2.0263 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0531 -2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3638 3.2596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0746 2.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0137 -0.8695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -0.9952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6565 -2.5644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 -0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7210 1.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7210 -1.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 -0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6995 -2.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0531 2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3673 -1.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0102 -3.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3458 -1.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9887 -3.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6350 -2.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2679 1.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1035 2.0527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.8104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 -0.8104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6139 -0.1904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 0.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -1.0004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1747 -0.8183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5961 -3.5639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1813 -3.8980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2417 -2.8984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 0.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.0004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -0.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9497 3.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 27 1 0 0 0 0
2 27 1 0 0 0 0
3 19 1 0 0 0 0
3 28 1 0 0 0 0
4 17 2 0 0 0 0
5 22 1 0 0 0 0
5 44 1 0 0 0 0
6 22 2 0 0 0 0
7 25 2 0 0 0 0
8 12 1 0 0 0 0
8 13 1 0 0 0 0
8 17 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 11 1 0 0 0 0
10 13 2 0 0 0 0
10 14 1 0 0 0 0
11 12 2 0 0 0 0
11 15 1 0 0 0 0
12 16 1 0 0 0 0
13 18 1 0 0 0 0
14 22 1 0 0 0 0
14 29 1 0 0 0 0
14 30 1 0 0 0 0
15 19 2 0 0 0 0
15 31 1 0 0 0 0
16 20 2 0 0 0 0
16 32 1 0 0 0 0
17 21 1 0 0 0 0
18 33 1 0 0 0 0
18 34 1 0 0 0 0
18 35 1 0 0 0 0
19 20 1 0 0 0 0
20 36 1 0 0 0 0
21 23 2 0 0 0 0
21 24 1 0 0 0 0
23 25 1 0 0 0 0
23 37 1 0 0 0 0
24 26 2 0 0 0 0
24 38 1 0 0 0 0
26 39 1 0 0 0 0
27 40 1 0 0 0 0
28 41 1 0 0 0 0
28 42 1 0 0 0 0
28 43 1 0 0 0 0
M END
$$$$