BE9V5A
-OEChem-04022100492D
57 60 0 1 0 0 0 0 0999 V2000
13.3241 -0.6162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
12.3241 -1.6162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
12.3241 0.3838 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.3797 4.1162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.1162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.1162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7404 0.1885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7404 -1.4210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.6162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3241 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0511 1.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.6162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3241 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3833 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6939 2.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4048 1.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0261 3.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7369 2.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0476 3.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3267 0.8587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 0.8587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8501 0.4664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4516 -0.2239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 -2.0912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3267 -2.0912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 -0.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 -0.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5980 0.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4337 1.6269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 -0.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 -0.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -2.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3006 2.9617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2122 1.0878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2187 4.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1302 2.2936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
2 23 1 0 0 0 0
3 23 1 0 0 0 0
4 28 1 0 0 0 0
5 32 1 0 0 0 0
6 33 1 0 0 0 0
7 18 2 0 0 0 0
8 14 1 0 0 0 0
8 15 1 0 0 0 0
8 18 1 0 0 0 0
9 12 1 0 0 0 0
9 17 1 0 0 0 0
9 20 1 0 0 0 0
10 16 1 0 0 0 0
10 17 2 0 0 0 0
21 11 1 6 0 0 0
11 49 1 0 0 0 0
11 50 1 0 0 0 0
12 13 1 0 0 0 0
12 16 2 0 0 0 0
13 14 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
15 16 1 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
17 23 1 0 0 0 0
18 19 1 0 0 0 0
19 21 1 0 0 0 0
19 42 1 0 0 0 0
19 43 1 0 0 0 0
20 24 1 0 0 0 0
20 44 1 0 0 0 0
20 45 1 0 0 0 0
21 22 1 0 0 0 0
21 46 1 0 0 0 0
22 25 1 0 0 0 0
22 47 1 0 0 0 0
22 48 1 0 0 0 0
24 26 2 0 0 0 0
24 27 1 0 0 0 0
25 28 2 0 0 0 0
25 29 1 0 0 0 0
26 30 1 0 0 0 0
26 51 1 0 0 0 0
27 31 2 0 0 0 0
27 52 1 0 0 0 0
28 34 1 0 0 0 0
29 33 2 0 0 0 0
29 53 1 0 0 0 0
30 32 2 0 0 0 0
30 54 1 0 0 0 0
31 32 1 0 0 0 0
31 55 1 0 0 0 0
33 35 1 0 0 0 0
34 35 2 0 0 0 0
34 56 1 0 0 0 0
35 57 1 0 0 0 0
M END
$$$$