BK13DG
-OEChem-04012113542D
50 50 0 1 0 0 0 0 0999 V2000
5.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6182 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2382 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9781 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2181 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3722 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7522 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
1 16 1 0 0 0 0
12 2 1 1 0 0 0
2 19 1 0 0 0 0
14 3 1 1 0 0 0
3 20 1 0 0 0 0
4 16 1 0 0 0 0
4 21 1 0 0 0 0
5 17 1 0 0 0 0
5 25 1 0 0 0 0
6 18 2 0 0 0 0
7 19 2 0 0 0 0
8 20 2 0 0 0 0
9 21 2 0 0 0 0
10 25 2 0 0 0 0
13 11 1 6 0 0 0
11 18 1 0 0 0 0
11 35 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 28 1 0 0 0 0
13 16 1 0 0 0 0
13 29 1 0 0 0 0
14 15 1 0 0 0 0
14 30 1 0 0 0 0
15 17 1 1 0 0 0
15 31 1 0 0 0 0
16 32 1 0 0 0 0
17 33 1 0 0 0 0
17 34 1 0 0 0 0
18 22 1 0 0 0 0
19 23 1 0 0 0 0
20 24 1 0 0 0 0
21 26 1 0 0 0 0
22 36 1 0 0 0 0
22 37 1 0 0 0 0
22 38 1 0 0 0 0
23 39 1 0 0 0 0
23 40 1 0 0 0 0
23 41 1 0 0 0 0
24 42 1 0 0 0 0
24 43 1 0 0 0 0
24 44 1 0 0 0 0
25 27 1 0 0 0 0
26 45 1 0 0 0 0
26 46 1 0 0 0 0
26 47 1 0 0 0 0
27 48 1 0 0 0 0
27 49 1 0 0 0 0
27 50 1 0 0 0 0
M END
$$$$