BNB68G
-OEChem-04012116402D
49 50 0 0 0 0 0 0 0999 V2000
4.5981 -1.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 2.4480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8602 2.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 4.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 4.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 2.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -3.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -2.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 0.9001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 1.5903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 -4.5173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 -4.5173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -2.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -3.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 1.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 0.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 -0.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 5.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 4.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0829 5.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0201 -1.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6401 0.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5319 4.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0420 3.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 3.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4220 2.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
1 18 1 0 0 0 0
2 10 1 0 0 0 0
2 24 1 0 0 0 0
3 14 1 0 0 0 0
3 25 1 0 0 0 0
4 18 2 0 0 0 0
5 24 2 0 0 0 0
6 7 1 0 0 0 0
6 11 1 0 0 0 0
6 12 1 0 0 0 0
6 26 1 0 0 0 0
7 18 1 0 0 0 0
7 27 1 0 0 0 0
7 28 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 14 2 0 0 0 0
9 15 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 13 2 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
12 34 1 0 0 0 0
12 35 1 0 0 0 0
12 36 1 0 0 0 0
13 19 1 0 0 0 0
13 21 1 0 0 0 0
14 20 1 0 0 0 0
15 16 2 0 0 0 0
15 37 1 0 0 0 0
16 17 1 0 0 0 0
16 22 1 0 0 0 0
17 38 1 0 0 0 0
17 39 1 0 0 0 0
19 20 2 0 0 0 0
19 40 1 0 0 0 0
20 41 1 0 0 0 0
21 23 2 0 0 0 0
21 42 1 0 0 0 0
22 43 1 0 0 0 0
22 44 1 0 0 0 0
22 45 1 0 0 0 0
23 24 1 0 0 0 0
23 46 1 0 0 0 0
25 47 1 0 0 0 0
25 48 1 0 0 0 0
25 49 1 0 0 0 0
M END
$$$$