BS3VL0
-OEChem-04012113352D
51 53 0 1 0 0 0 0 0999 V2000
7.4516 -0.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9073 1.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4347 1.9945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2437 0.5933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9128 1.3364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4128 2.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8102 1.3377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7618 0.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1350 0.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9792 2.4546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2212 2.7921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9739 2.4094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0412 -0.5765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2718 1.7335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7 1 1 6 0 0 0
1 36 1 0 0 0 0
8 2 1 6 0 0 0
2 37 1 0 0 0 0
3 12 1 0 0 0 0
3 16 1 0 0 0 0
4 6 1 0 0 0 0
4 9 1 0 0 0 0
4 31 1 0 0 0 0
5 10 1 0 0 0 0
11 5 1 6 0 0 0
5 34 1 0 0 0 0
6 7 1 0 0 0 0
6 10 1 1 0 0 0
6 26 1 0 0 0 0
7 8 1 0 0 0 0
7 27 1 0 0 0 0
8 9 1 0 0 0 0
8 28 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 35 1 0 0 0 0
12 38 1 0 0 0 0
12 39 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
14 17 1 0 0 0 0
14 40 1 0 0 0 0
15 18 2 0 0 0 0
15 41 1 0 0 0 0
16 20 1 0 0 0 0
16 42 1 0 0 0 0
16 43 1 0 0 0 0
17 19 2 0 0 0 0
17 44 1 0 0 0 0
18 19 1 0 0 0 0
18 45 1 0 0 0 0
19 46 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
21 23 1 0 0 0 0
21 47 1 0 0 0 0
22 24 2 0 0 0 0
22 48 1 0 0 0 0
23 25 2 0 0 0 0
23 49 1 0 0 0 0
24 25 1 0 0 0 0
24 50 1 0 0 0 0
25 51 1 0 0 0 0
M END
$$$$