B7A8BS
-OEChem-04022102432D
29 30 0 0 0 0 0 0 0999 V2000
3.8494 1.6226 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -1.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -1.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5098 -0.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.0905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.4095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4770 1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8342 1.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4618 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1763 2.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8039 2.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1611 2.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.7195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8604 0.7289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.5295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7777 3.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4144 2.2512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3731 3.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -2.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
2 18 1 0 0 0 0
2 28 1 0 0 0 0
3 20 1 0 0 0 0
3 29 1 0 0 0 0
4 18 2 0 0 0 0
5 20 2 0 0 0 0
6 8 1 0 0 0 0
6 10 1 0 0 0 0
6 21 1 0 0 0 0
7 11 2 0 0 0 0
7 15 1 0 0 0 0
8 9 2 0 0 0 0
8 11 1 0 0 0 0
9 12 1 0 0 0 0
9 18 1 0 0 0 0
10 13 1 0 0 0 0
10 14 2 0 0 0 0
11 20 1 0 0 0 0
12 15 2 0 0 0 0
12 22 1 0 0 0 0
13 16 2 0 0 0 0
14 17 1 0 0 0 0
14 23 1 0 0 0 0
15 24 1 0 0 0 0
16 19 1 0 0 0 0
16 25 1 0 0 0 0
17 19 2 0 0 0 0
17 26 1 0 0 0 0
19 27 1 0 0 0 0
M END
$$$$