BSC3I2
-OEChem-04012114083D
37 38 0 1 0 0 0 0 0999 V2000
-5.0608 -1.0449 0.2723 S 0 0 0 0 0 0 0 0 0 0 0 0
0.9746 1.3722 0.9895 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9333 4.1619 0.1705 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7264 1.1012 0.2933 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8190 -0.0217 0.6648 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1135 -4.1583 -0.4422 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9477 0.3914 -1.5172 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3542 -1.9198 1.3917 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9582 -1.5767 -1.0729 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5330 -0.1914 0.2139 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9679 -2.0807 0.1127 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6487 -0.1550 0.6483 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2162 0.2245 0.2709 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 3.1108 -0.5823 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2806 2.4044 0.2626 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3489 2.0239 -0.8421 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2874 1.2035 0.4360 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8038 1.7391 -0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8419 -0.7061 0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4839 -1.0306 -0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6197 -2.3388 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9545 -2.9582 -0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7738 0.4492 -0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9248 3.5519 -1.4971 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1717 3.0699 1.0063 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0388 1.4276 -1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3611 2.3939 -1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9995 1.5975 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3893 1.0101 -1.2776 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3339 2.5071 -1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6361 4.5481 -0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4980 -0.6019 -0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9001 -2.4740 0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7781 -2.9651 -0.6342 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4541 0.0161 1.6431 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1118 0.0090 -0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3774 0.6785 1.1802 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
3 14 1 0 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
10 17 1 0 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 0 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
$$$$