BKX97W
-OEChem-04012115113D
39 41 0 0 0 0 0 0 0999 V2000
1.6272 -2.8339 -0.0590 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7974 -2.0673 -0.0233 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9070 -1.3863 -0.0599 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1210 2.2651 0.0672 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9519 2.9432 0.0708 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6724 2.0969 0.0332 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6199 -0.4074 -0.0187 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3301 0.8897 -0.0087 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6414 0.6899 0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0296 1.9749 0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9780 -0.5264 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9899 0.9023 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0772 0.8603 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3656 2.9966 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5731 -1.8393 -0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2029 -0.1963 -0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6465 0.1576 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0954 -4.1866 -0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5758 -0.7388 0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0713 1.3873 -0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9302 -0.4056 0.5391 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4255 1.7205 -0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9043 -5.1205 -0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3549 0.8241 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8526 0.2507 0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2029 2.2945 0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3898 3.5972 1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4077 3.6375 -0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7033 1.8319 0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7127 -4.3421 -0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6959 -4.3778 0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2654 -1.6997 0.9162 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3911 2.1007 -0.9714 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6540 -1.1031 0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7582 2.6742 -0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2680 -4.9613 0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2846 -4.9262 -0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2267 -6.1653 -0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4096 1.0829 0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0
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1 18 1 0 0 0 0
2 15 2 0 0 0 0
3 16 2 0 0 0 0
4 5 1 0 0 0 0
4 12 1 0 0 0 0
4 14 1 0 0 0 0
5 10 2 0 0 0 0
6 10 1 0 0 0 0
6 13 2 0 0 0 0
7 11 2 0 0 0 0
7 13 1 0 0 0 0
8 13 1 0 0 0 0
8 16 1 0 0 0 0
8 29 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 12 2 0 0 0 0
11 15 1 0 0 0 0
12 25 1 0 0 0 0
14 26 1 0 0 0 0
14 27 1 0 0 0 0
14 28 1 0 0 0 0
16 17 1 0 0 0 0
17 19 2 0 0 0 0
17 20 1 0 0 0 0
18 23 1 0 0 0 0
18 30 1 0 0 0 0
18 31 1 0 0 0 0
19 21 1 0 0 0 0
19 32 1 0 0 0 0
20 22 2 0 0 0 0
20 33 1 0 0 0 0
21 24 2 0 0 0 0
21 34 1 0 0 0 0
22 24 1 0 0 0 0
22 35 1 0 0 0 0
23 36 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
24 39 1 0 0 0 0
M END
$$$$