BSO5P3
-OEChem-04022103302D
52 55 0 1 0 0 0 0 0999 V2000
6.9939 -0.6645 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5675 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 1.2015 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 2.9335 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.4939 0.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9939 -2.3966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.9939 -2.3966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.9939 -0.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.9939 1.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7210 2.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 1.0675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 0.2628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.4939 -1.5306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.4939 -1.5306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.9939 -0.6645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9939 -0.6645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.4939 0.2015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9939 -0.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9939 1.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 0.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 -1.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4939 0.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 1.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4939 -1.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 -0.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 1.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8739 -1.5306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1139 -1.5306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6839 -0.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3039 -0.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1839 0.7384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1016 1.6781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4113 1.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8039 0.7384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3039 -2.9335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6139 -2.3966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3039 -1.2015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8039 -2.0675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5765 1.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8863 1.6781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1839 -2.0675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3039 1.6044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.2575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 26 1 0 0 0 0
2 33 1 0 0 0 0
3 33 1 0 0 0 0
4 33 1 0 0 0 0
5 17 1 0 0 0 0
5 18 1 0 0 0 0
14 6 1 1 0 0 0
6 42 1 0 0 0 0
15 7 1 6 0 0 0
7 43 1 0 0 0 0
16 8 1 1 0 0 0
8 44 1 0 0 0 0
9 20 1 0 0 0 0
9 49 1 0 0 0 0
10 27 2 0 0 0 0
11 13 1 0 0 0 0
11 24 1 0 0 0 0
11 27 1 0 0 0 0
12 27 1 0 0 0 0
12 28 1 0 0 0 0
12 29 1 0 0 0 0
13 28 2 0 0 0 0
14 15 1 0 0 0 0
14 17 1 0 0 0 0
14 34 1 0 0 0 0
15 16 1 0 0 0 0
15 35 1 0 0 0 0
16 18 1 0 0 0 0
16 37 1 0 0 0 0
17 19 1 6 0 0 0
17 36 1 0 0 0 0
18 20 1 6 0 0 0
18 38 1 0 0 0 0
19 21 2 0 0 0 0
19 22 1 0 0 0 0
20 39 1 0 0 0 0
20 40 1 0 0 0 0
21 23 1 0 0 0 0
21 41 1 0 0 0 0
22 25 2 0 0 0 0
22 45 1 0 0 0 0
23 24 1 0 0 0 0
23 26 2 0 0 0 0
24 46 1 0 0 0 0
24 47 1 0 0 0 0
25 26 1 0 0 0 0
25 48 1 0 0 0 0
28 30 1 0 0 0 0
29 31 2 0 0 0 0
29 50 1 0 0 0 0
30 32 2 0 0 0 0
30 51 1 0 0 0 0
31 32 1 0 0 0 0
31 33 1 0 0 0 0
32 52 1 0 0 0 0
M END
$$$$