BA5S7T
-OEChem-04022110212D
45 46 0 1 0 0 0 0 0999 V2000
9.7942 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9282 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4516 1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8501 0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0063 0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4048 1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8501 2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4516 1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4048 1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0063 2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3267 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5252 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 -0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 -0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5252 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 5 1 0 0 0 0
2 6 1 0 0 0 0
2 11 1 0 0 0 0
10 3 1 1 0 0 0
3 36 1 0 0 0 0
3 37 1 0 0 0 0
4 13 1 0 0 0 0
4 14 1 0 0 0 0
4 38 1 0 0 0 0
5 7 1 0 0 0 0
5 21 1 0 0 0 0
5 22 1 0 0 0 0
6 8 1 0 0 0 0
6 23 1 0 0 0 0
6 24 1 0 0 0 0
7 9 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 9 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 31 1 0 0 0 0
12 13 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 15 1 0 0 0 0
14 39 1 0 0 0 0
14 40 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
16 18 1 0 0 0 0
16 41 1 0 0 0 0
17 19 2 0 0 0 0
17 42 1 0 0 0 0
18 20 2 0 0 0 0
18 43 1 0 0 0 0
19 20 1 0 0 0 0
19 44 1 0 0 0 0
20 45 1 0 0 0 0
M END
$$$$