BS85PJ
-OEChem-04012120362D
49 51 0 1 0 0 0 0 0999 V2000
3.7320 -0.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.9827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0000 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 1.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 2.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 3.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -1.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -1.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -4.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -3.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -1.9347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -2.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -4.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -4.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -3.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -4.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 0.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.6727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 2.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0829 1.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 3.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0829 4.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5319 2.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5319 3.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13 1 1 6 0 0 0
1 40 1 0 0 0 0
2 14 2 0 0 0 0
9 3 1 6 0 0 0
3 38 1 0 0 0 0
3 39 1 0 0 0 0
4 5 1 0 0 0 0
4 14 1 0 0 0 0
4 41 1 0 0 0 0
5 15 1 0 0 0 0
5 42 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
6 25 1 0 0 0 0
7 10 1 0 0 0 0
7 26 1 0 0 0 0
7 27 1 0 0 0 0
8 11 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
9 13 1 0 0 0 0
9 30 1 0 0 0 0
10 12 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 12 1 0 0 0 0
11 33 1 0 0 0 0
11 34 1 0 0 0 0
12 35 1 0 0 0 0
12 36 1 0 0 0 0
13 14 1 0 0 0 0
13 37 1 0 0 0 0
15 16 1 0 0 0 0
15 18 2 0 0 0 0
16 17 1 0 0 0 0
16 19 2 0 0 0 0
17 20 1 0 0 0 0
17 22 2 0 0 0 0
18 21 1 0 0 0 0
18 43 1 0 0 0 0
19 23 1 0 0 0 0
19 44 1 0 0 0 0
20 21 2 0 0 0 0
20 45 1 0 0 0 0
21 46 1 0 0 0 0
22 24 1 0 0 0 0
22 47 1 0 0 0 0
23 24 2 0 0 0 0
23 48 1 0 0 0 0
24 49 1 0 0 0 0
M END
$$$$