BH96EJ
-OEChem-04022109572D
69 72 0 1 0 0 0 0 0999 V2000
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7.4412 1.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2807 1.7298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0022 -1.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.1180 1.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0061 1.7194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5381 0.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4099 2.2294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1420 2.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7839 -2.3394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1343 0.2227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 -0.8048 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
10.3984 -0.8048 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
9.5323 -1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 0.1952 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.7724 -1.3394 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
11.2923 -1.3394 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
10.3984 0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5323 0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7724 0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1984 -0.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8663 -0.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2923 0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8663 0.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1984 0.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7823 -2.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1295 -1.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9237 -2.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6557 -2.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1295 0.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0022 0.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0733 -0.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0733 0.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2702 0.7260 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.4022 0.2294 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.2740 1.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3984 -0.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6711 -1.4248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3936 -1.4248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1338 -1.7797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9309 -1.7797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3134 -1.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2490 -1.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4661 -2.7330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3156 -2.5158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2678 1.6702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4661 -2.7445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1224 -2.0025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6076 -2.3160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3904 -3.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2399 -3.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3519 -3.3698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1962 -3.1331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9594 -2.2888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8319 1.7882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8140 2.0460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6090 -1.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6090 0.5498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1319 -0.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6513 2.0891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2678 0.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 -0.0785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7784 -0.7682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3960 -1.3906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0184 -0.7730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4123 2.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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39 67 1 0 0 0 0
M END
$$$$