BP3UA2
-OEChem-04022102303D
29 30 0 0 0 0 0 0 0999 V2000
-2.6134 -2.7731 -1.3808 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.0535 1.7241 -2.3150 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4557 -1.6437 0.9438 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1002 2.6321 0.6988 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9279 0.4552 -0.1023 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1896 0.0897 -0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7805 0.0731 1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5009 -1.3764 -0.4623 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1506 -1.3925 1.4765 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9926 1.1936 -0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1893 1.5827 0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3927 0.7184 0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4322 -0.4807 -0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4854 1.1051 0.9196 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5640 -1.2934 -0.5033 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6174 0.2926 0.9842 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6567 -0.9068 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9570 0.7209 -0.2663 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2217 0.2690 -1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7881 0.2437 1.7122 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4830 0.7014 1.8566 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7928 -2.0365 -0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5068 -1.6199 -0.8179 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1680 -1.6483 2.5404 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4265 -2.0520 0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5914 -0.8097 -1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4756 2.0352 1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4682 0.5936 1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5453 -1.5299 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
2 10 2 0 0 0 0
3 8 1 0 0 0 0
3 9 1 0 0 0 0
4 11 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 10 1 0 0 0 0
6 8 1 0 0 0 0
6 18 1 0 0 0 0
6 19 1 0 0 0 0
7 9 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
8 22 1 0 0 0 0
8 23 1 0 0 0 0
9 24 1 0 0 0 0
9 25 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
13 15 1 0 0 0 0
13 26 1 0 0 0 0
14 16 2 0 0 0 0
14 27 1 0 0 0 0
15 17 2 0 0 0 0
16 17 1 0 0 0 0
16 28 1 0 0 0 0
17 29 1 0 0 0 0
M END
$$$$