BBI17K
-OEChem-04022107063D
49 52 0 1 0 0 0 0 0999 V2000
2.3468 3.2792 -0.3166 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1117 2.0016 2.2083 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3933 0.9695 -0.3880 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9495 1.1386 1.0714 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2915 2.8595 -2.2358 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4007 0.3397 2.2101 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7970 0.8447 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7656 -0.3414 -0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8151 1.1145 -0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5775 -1.1185 1.8053 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3366 2.1687 -0.9519 C 0 0 2 0 0 0 0 0 0 0 0 0
4.0304 -0.6288 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8642 -1.3103 -0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 2.8949 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5576 -0.1831 -0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4609 -1.2431 0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7818 2.2042 -0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8412 1.9771 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1896 -1.3146 0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8318 -2.6922 -0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3698 -0.3290 -1.4597 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1507 -2.4384 0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1669 -2.7098 0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9971 -3.3933 -0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0635 -1.5175 -1.6868 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9519 -2.5723 -0.7846 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3507 0.7701 2.5509 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6940 0.4099 3.0431 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9167 1.2933 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4275 1.3586 -0.7085 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4393 -0.4061 -1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9272 -0.4700 0.0698 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2358 1.3214 -1.0182 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5446 1.9226 0.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0342 1.1581 -1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0065 -1.6730 2.6479 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6028 -1.5621 1.5674 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0516 3.7906 0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4769 3.2585 -0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0937 -0.7887 0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9294 -3.2214 -0.6797 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4619 0.4846 -2.1751 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0682 -3.2712 1.0425 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6693 2.8948 -2.5748 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8157 2.3283 -2.9306 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0631 -3.2742 0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0004 -4.4793 -0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6878 -1.6212 -2.5695 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4874 -3.4999 -0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 2 0 0 0 0
2 18 2 0 0 0 0
3 7 1 0 0 0 0
3 8 1 0 0 0 0
3 17 1 0 0 0 0
4 6 1 0 0 0 0
4 9 1 0 0 0 0
4 18 1 0 0 0 0
5 11 1 0 0 0 0
5 44 1 0 0 0 0
5 45 1 0 0 0 0
6 10 1 0 0 0 0
6 27 1 0 0 0 0
6 28 1 0 0 0 0
7 12 1 0 0 0 0
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7 30 1 0 0 0 0
8 13 1 0 0 0 0
8 31 1 0 0 0 0
8 32 1 0 0 0 0
9 15 1 0 0 0 0
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10 16 1 0 0 0 0
10 36 1 0 0 0 0
10 37 1 0 0 0 0
11 14 1 0 0 0 0
11 17 1 0 0 0 0
11 35 1 0 0 0 0
12 13 1 0 0 0 0
12 19 2 0 0 0 0
13 20 2 0 0 0 0
14 18 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
15 16 1 0 0 0 0
15 21 2 0 0 0 0
16 22 2 0 0 0 0
19 23 1 0 0 0 0
19 40 1 0 0 0 0
20 24 1 0 0 0 0
20 41 1 0 0 0 0
21 25 1 0 0 0 0
21 42 1 0 0 0 0
22 26 1 0 0 0 0
22 43 1 0 0 0 0
23 24 2 0 0 0 0
23 46 1 0 0 0 0
24 47 1 0 0 0 0
25 26 2 0 0 0 0
25 48 1 0 0 0 0
26 49 1 0 0 0 0
M END
$$$$