BX3A9P
-OEChem-04022109162D
37 39 0 1 0 0 0 0 0999 V2000
8.4413 -1.5473 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.2136 -2.7321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.0289 -3.5044 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.2996 3.5044 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.9394 2.2432 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.0384 2.8645 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.0504 -3.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.0062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 0.7986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6318 -2.6515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2566 -2.3196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2781 -2.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 -1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2351 -2.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4628 -1.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 1.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6103 -2.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3211 -1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 2.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3815 -0.7014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0695 -1.4690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5907 -0.7345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8562 -1.2133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8029 -3.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7144 -1.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.8214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.4186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4611 -3.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.0114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.6086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
2 17 1 0 0 0 0
3 17 1 0 0 0 0
4 24 1 0 0 0 0
5 24 1 0 0 0 0
6 24 1 0 0 0 0
11 7 1 6 0 0 0
7 35 1 0 0 0 0
8 9 1 0 0 0 0
8 13 1 0 0 0 0
8 14 1 0 0 0 0
9 19 2 0 0 0 0
10 20 2 0 0 0 0
10 21 1 0 0 0 0
11 12 1 0 0 0 0
11 17 1 0 0 0 0
11 18 1 0 0 0 0
12 15 2 0 0 0 0
12 20 1 0 0 0 0
13 15 1 0 0 0 0
13 21 2 0 0 0 0
14 16 1 0 0 0 0
14 22 2 0 0 0 0
15 27 1 0 0 0 0
16 19 1 0 0 0 0
16 23 2 0 0 0 0
18 28 1 0 0 0 0
18 29 1 0 0 0 0
18 30 1 0 0 0 0
19 24 1 0 0 0 0
20 31 1 0 0 0 0
21 32 1 0 0 0 0
22 25 1 0 0 0 0
22 33 1 0 0 0 0
23 26 1 0 0 0 0
23 34 1 0 0 0 0
25 26 2 0 0 0 0
25 36 1 0 0 0 0
26 37 1 0 0 0 0
M END
$$$$