BOWB91
-OEChem-04012113153D
32 34 0 1 0 0 0 0 0999 V2000
0.8188 3.9348 0.8264 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.7074 -3.1293 -0.6057 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-5.2173 -1.1203 -0.3674 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.5325 -0.6604 0.7967 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7041 1.8624 -1.4822 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2466 -0.0442 -0.2819 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2005 -3.3160 1.3921 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0982 1.1581 0.2961 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6316 2.5500 0.4632 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4806 0.6845 0.2781 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0988 0.6390 -1.1156 C 0 0 2 0 0 0 0 0 0 0 0 0
3.0914 -0.4996 -0.9789 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2846 -1.4757 -0.1290 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0909 -2.4974 0.6509 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0204 0.3841 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3223 2.4444 0.5065 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0845 1.2751 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1842 -0.9784 -0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3970 0.7957 0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4972 -1.4382 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5853 -0.5687 -0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0521 1.3143 0.9675 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3421 0.3869 -1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4143 -0.9153 -1.9368 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5677 -2.0011 -0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7588 -2.0137 1.3705 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6790 -3.1291 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1697 1.7165 -2.3233 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9860 0.2440 0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3651 -1.6712 -0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2374 1.4786 0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7417 -3.9620 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
2 20 1 0 0 0 0
3 21 1 0 0 0 0
4 10 1 0 0 0 0
4 13 1 0 0 0 0
5 11 1 0 0 0 0
5 28 1 0 0 0 0
6 12 1 0 0 0 0
6 29 1 0 0 0 0
7 14 1 0 0 0 0
7 32 1 0 0 0 0
8 10 1 0 0 0 0
8 15 1 0 0 0 0
8 16 1 0 0 0 0
9 16 2 0 0 0 0
9 17 1 0 0 0 0
10 11 1 0 0 0 0
10 22 1 0 0 0 0
11 12 1 0 0 0 0
11 23 1 0 0 0 0
12 13 1 0 0 0 0
12 24 1 0 0 0 0
13 14 1 0 0 0 0
13 25 1 0 0 0 0
14 26 1 0 0 0 0
14 27 1 0 0 0 0
15 17 1 0 0 0 0
15 18 2 0 0 0 0
17 19 2 0 0 0 0
18 20 1 0 0 0 0
18 30 1 0 0 0 0
19 21 1 0 0 0 0
19 31 1 0 0 0 0
20 21 2 0 0 0 0
M END
$$$$