B6CME5
-OEChem-04022107322D
55 58 0 1 0 0 0 0 0999 V2000
2.0000 1.7742 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.9942 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2622 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7263 1.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
13.3244 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8602 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1282 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.4583 1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.5923 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4583 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5923 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7263 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8602 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9942 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7263 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3961 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7263 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3961 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 -0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7263 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7263 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9953 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1938 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9908 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0689 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6704 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9908 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1938 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5142 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1157 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8613 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3244 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9942 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3369 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9383 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8636 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6607 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9331 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7773 -0.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7773 2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3284 -0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1063 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7263 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3463 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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3 17 2 0 0 0 0
4 10 1 0 0 0 0
4 13 1 0 0 0 0
4 14 1 0 0 0 0
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19 46 1 0 0 0 0
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20 22 1 0 0 0 0
21 28 3 0 0 0 0
22 25 2 0 0 0 0
22 48 1 0 0 0 0
23 24 2 0 0 0 0
23 26 1 0 0 0 0
24 25 1 0 0 0 0
24 27 1 0 0 0 0
25 49 1 0 0 0 0
26 29 2 0 0 0 0
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27 30 2 0 0 0 0
27 51 1 0 0 0 0
28 31 1 0 0 0 0
29 30 1 0 0 0 0
29 52 1 0 0 0 0
31 53 1 0 0 0 0
31 54 1 0 0 0 0
31 55 1 0 0 0 0
M END
$$$$