BWM30K
-OEChem-04042101483D
28 30 0 0 0 0 0 0 0999 V2000
5.5406 -1.6552 0.1850 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.8629 1.9368 -0.1823 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0556 -0.5748 0.0699 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9156 -2.0940 0.7989 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0647 -2.2322 -0.3081 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5154 2.1138 -0.1854 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0215 -0.1015 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1446 0.6136 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0222 0.8826 -0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5481 0.2812 -0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4779 0.6501 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0785 -0.5561 -1.0344 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3749 0.7967 0.9451 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4382 1.6321 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1334 -1.5242 0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4358 -0.8776 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7321 0.4753 0.9617 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6860 0.9679 -0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2625 -0.3619 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3995 -0.3726 0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4501 -0.9649 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9777 1.4489 1.7193 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2782 2.6974 -0.2119 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8491 -1.5290 -1.7825 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3758 0.8762 1.7391 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6687 1.4173 -0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3192 -0.6122 -0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8152 -3.0673 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
2 6 1 0 0 0 0
2 8 1 0 0 0 0
3 11 1 0 0 0 0
3 20 1 0 0 0 0
4 15 1 0 0 0 0
4 28 1 0 0 0 0
5 15 2 0 0 0 0
6 9 2 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
7 15 1 0 0 0 0
8 10 1 0 0 0 0
9 11 1 0 0 0 0
10 12 2 0 0 0 0
10 13 1 0 0 0 0
11 14 2 0 0 0 0
12 16 1 0 0 0 0
12 21 1 0 0 0 0
13 17 2 0 0 0 0
13 22 1 0 0 0 0
14 18 1 0 0 0 0
14 23 1 0 0 0 0
16 19 2 0 0 0 0
16 24 1 0 0 0 0
17 19 1 0 0 0 0
17 25 1 0 0 0 0
18 20 2 0 0 0 0
18 26 1 0 0 0 0
19 27 1 0 0 0 0
M END
$$$$