BSC3I2
-OEChem-04012113402D
37 38 0 1 0 0 0 0 0999 V2000
7.9568 -3.1907 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5134 -0.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6166 -1.7817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7867 -1.6772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4364 1.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7044 4.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9677 -3.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7658 -2.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1478 -3.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7044 1.5661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5704 3.0661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3690 -2.3817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5446 -3.9997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2044 -0.9727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2044 -0.9727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8954 -0.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7044 0.5661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7922 -1.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5704 2.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8384 2.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8384 3.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7044 3.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3745 -2.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5920 -0.8757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8168 -0.8757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5854 0.5153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3290 -0.2738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2568 0.8476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2349 -2.0535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9631 -2.3777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3014 1.7561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1074 3.3761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3014 3.3761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6212 -1.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1612 -3.9349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2924 -4.5661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 2 0 0 0 0
1 9 2 0 0 0 0
1 12 1 0 0 0 0
1 13 1 0 0 0 0
2 15 1 0 0 0 0
2 17 1 0 0 0 0
14 3 1 1 0 0 0
3 31 1 0 0 0 0
4 18 1 0 0 0 0
4 23 1 0 0 0 0
5 19 2 0 0 0 0
6 22 2 0 0 0 0
7 23 2 0 0 0 0
17 10 1 6 0 0 0
10 19 1 0 0 0 0
10 20 1 0 0 0 0
11 19 1 0 0 0 0
11 22 1 0 0 0 0
11 33 1 0 0 0 0
12 23 1 0 0 0 0
12 35 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
14 24 1 0 0 0 0
15 18 1 6 0 0 0
15 25 1 0 0 0 0
16 17 1 0 0 0 0
16 26 1 0 0 0 0
16 27 1 0 0 0 0
17 28 1 0 0 0 0
18 29 1 0 0 0 0
18 30 1 0 0 0 0
20 21 2 0 0 0 0
20 32 1 0 0 0 0
21 22 1 0 0 0 0
21 34 1 0 0 0 0
M END
$$$$