BMY0V9
-OEChem-04022108332D
42 46 0 0 0 0 0 0 0999 V2000
5.3098 -4.0713 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.6508 1.0274 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.1344 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
10.6522 -2.2424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6522 -3.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1608 1.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1408 0.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0915 -1.0126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0800 -4.0818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1739 -2.5263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7906 1.5374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6179 3.1157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9739 -2.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9739 -3.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7060 -2.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0800 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7060 -3.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8399 -2.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2314 -0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8399 -4.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5110 0.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2429 0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3596 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3827 1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4994 -0.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2358 -3.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1739 -3.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8022 2.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3200 4.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3199 4.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8399 -1.4272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8399 -4.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6320 -0.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7834 0.8011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3524 -1.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3899 1.6273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9589 -0.7863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6967 -3.4619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6967 -2.6324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2501 1.2336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9614 4.5876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6901 4.5676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 27 1 0 0 0 0
2 6 2 0 0 0 0
2 7 2 0 0 0 0
2 11 1 0 0 0 0
2 21 1 0 0 0 0
3 28 1 0 0 0 0
3 29 1 0 0 0 0
4 15 1 0 0 0 0
4 26 1 0 0 0 0
5 17 1 0 0 0 0
5 26 1 0 0 0 0
8 16 1 0 0 0 0
8 19 1 0 0 0 0
8 33 1 0 0 0 0
9 14 1 0 0 0 0
9 27 2 0 0 0 0
10 16 2 0 0 0 0
10 27 1 0 0 0 0
11 28 1 0 0 0 0
11 40 1 0 0 0 0
12 28 2 0 0 0 0
12 30 1 0 0 0 0
13 14 1 0 0 0 0
13 16 1 0 0 0 0
13 18 2 0 0 0 0
14 20 2 0 0 0 0
15 17 2 0 0 0 0
15 18 1 0 0 0 0
17 20 1 0 0 0 0
18 31 1 0 0 0 0
19 22 2 0 0 0 0
19 23 1 0 0 0 0
20 32 1 0 0 0 0
21 24 2 0 0 0 0
21 25 1 0 0 0 0
22 24 1 0 0 0 0
22 34 1 0 0 0 0
23 25 2 0 0 0 0
23 35 1 0 0 0 0
24 36 1 0 0 0 0
25 37 1 0 0 0 0
26 38 1 0 0 0 0
26 39 1 0 0 0 0
29 30 2 0 0 0 0
29 41 1 0 0 0 0
30 42 1 0 0 0 0
M END
$$$$