BHBD92
-OEChem-04022108262D
45 48 0 0 0 0 0 0 0999 V2000
5.8205 1.3765 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.4481 0.7841 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.5865 2.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0544 0.7337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2744 1.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6217 -0.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4633 0.6105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2704 -0.6556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1212 -2.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1777 2.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4329 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0040 3.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2380 2.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3726 0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1989 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1212 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2552 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9873 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2552 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9873 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6276 -1.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6428 -1.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9696 -2.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3268 -3.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3420 -2.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7396 2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1709 1.5197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5867 3.3394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6940 3.6643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7631 2.8831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9280 1.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2649 0.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9926 0.6157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7815 1.8126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8889 2.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5242 -0.5192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7183 -2.1392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0584 -0.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5242 -2.1392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4308 -0.6654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5802 -2.4690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -1.9062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5389 -3.7100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9435 -3.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 7 1 0 0 0 0
1 10 1 0 0 0 0
2 5 2 0 0 0 0
2 6 2 0 0 0 0
2 7 1 0 0 0 0
2 11 1 0 0 0 0
7 16 1 0 0 0 0
8 17 1 0 0 0 0
8 21 1 0 0 0 0
8 39 1 0 0 0 0
9 19 2 0 0 0 0
9 20 1 0 0 0 0
10 12 1 0 0 0 0
10 13 1 0 0 0 0
10 27 1 0 0 0 0
11 14 1 0 0 0 0
11 15 1 0 0 0 0
11 28 1 0 0 0 0
12 13 1 0 0 0 0
12 29 1 0 0 0 0
12 30 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
14 15 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
17 19 1 0 0 0 0
18 20 2 0 0 0 0
18 37 1 0 0 0 0
19 38 1 0 0 0 0
20 40 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
22 41 1 0 0 0 0
23 25 2 0 0 0 0
23 42 1 0 0 0 0
24 26 2 0 0 0 0
24 43 1 0 0 0 0
25 26 1 0 0 0 0
25 44 1 0 0 0 0
26 45 1 0 0 0 0
M END
$$$$