BB4Y9I
-OEChem-04022101392D
55 58 0 1 0 0 0 0 0999 V2000
10.5309 -3.2309 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.6236 4.5574 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.2114 4.6338 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.1349 3.2217 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3969 -2.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6648 -3.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9473 1.0380 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9473 -0.5715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5309 0.2332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.2668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.0309 -4.0969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2579 1.9885 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.0010 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2364 2.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5309 0.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5901 2.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5471 3.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9043 1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5256 3.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8792 3.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0309 -0.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8828 1.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1934 2.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0309 -0.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5309 -1.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0309 -2.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5309 -1.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0309 -2.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6512 1.8606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0515 3.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1760 3.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1286 2.3187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.8532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7117 0.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8409 0.7702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.3868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7182 3.9408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2968 1.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8001 2.7350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3409 -0.0959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9109 -1.4988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1509 -1.4988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7209 -2.9018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6509 -4.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7209 -4.6338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
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2 26 1 0 0 0 0
3 26 1 0 0 0 0
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8 13 1 0 0 0 0
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14 18 2 0 0 0 0
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20 24 2 0 0 0 0
20 40 1 0 0 0 0
21 28 1 0 0 0 0
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22 23 2 0 0 0 0
22 43 1 0 0 0 0
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24 44 1 0 0 0 0
25 29 1 0 0 0 0
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27 30 2 0 0 0 0
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28 29 2 0 0 0 0
28 46 1 0 0 0 0
29 47 1 0 0 0 0
30 34 1 0 0 0 0
30 48 1 0 0 0 0
31 35 2 0 0 0 0
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33 34 2 0 0 0 0
33 35 1 0 0 0 0
34 50 1 0 0 0 0
35 51 1 0 0 0 0
M END
$$$$