BXH3D6
-OEChem-04012113553D
30 31 0 0 0 0 0 0 0999 V2000
5.0673 1.4638 1.6810 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.4801 -0.9970 -2.8529 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.5676 1.4546 -0.3523 S 0 0 0 0 0 0 0 0 0 0 0 0
0.1652 0.5213 0.6958 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9306 2.4570 -1.3365 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5580 0.5237 0.1513 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1694 0.6224 -0.9150 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0073 -2.8993 1.1080 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7685 -0.5643 -0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6345 -0.6001 0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5380 -1.7168 -0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4617 0.4296 0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8780 2.3232 1.0386 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2847 -1.7602 1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1180 -2.8478 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7709 -0.1680 -0.9299 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4811 0.9345 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8098 0.8413 0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0995 -0.2612 -1.3445 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1191 0.2435 -0.5372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3825 1.2271 -1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4339 -1.7493 -0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6601 2.9611 1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5533 1.6022 1.7904 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0444 2.9393 0.6962 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5943 -1.8310 1.8281 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6812 -3.7733 0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9856 -0.5483 -1.5789 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2311 1.3989 2.0501 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1552 0.1710 -0.8606 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
2 19 1 0 0 0 0
3 5 2 0 0 0 0
3 6 2 0 0 0 0
3 7 1 0 0 0 0
3 13 1 0 0 0 0
4 10 1 0 0 0 0
4 12 1 0 0 0 0
7 9 1 0 0 0 0
7 21 1 0 0 0 0
8 14 2 0 0 0 0
8 15 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
10 14 1 0 0 0 0
11 15 2 0 0 0 0
11 22 1 0 0 0 0
12 16 2 0 0 0 0
12 17 1 0 0 0 0
13 23 1 0 0 0 0
13 24 1 0 0 0 0
13 25 1 0 0 0 0
14 26 1 0 0 0 0
15 27 1 0 0 0 0
16 19 1 0 0 0 0
16 28 1 0 0 0 0
17 18 2 0 0 0 0
17 29 1 0 0 0 0
18 20 1 0 0 0 0
19 20 2 0 0 0 0
20 30 1 0 0 0 0
M END
$$$$