B6OPT3
-OEChem-04012114002D
37 39 0 0 0 0 0 0 0999 V2000
5.5345 3.3722 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
9.0600 0.3760 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.4467 -2.9757 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4467 -2.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4467 -2.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3644 3.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7657 4.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4467 1.0243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6377 1.6121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4467 -3.9757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2558 1.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4467 0.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2068 1.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9467 2.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4467 -1.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3128 -0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5807 -0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9467 2.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3128 -1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5807 -1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9500 1.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4147 0.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9010 1.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3658 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3590 3.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1089 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8497 -0.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0438 -0.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8497 -1.7857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0438 -1.7857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8210 2.5786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9540 -0.0899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3618 2.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4947 -0.5906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9098 -4.2857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9837 -4.2857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.7692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
2 26 1 0 0 0 0
3 4 2 0 0 0 0
3 5 2 0 0 0 0
3 10 1 0 0 0 0
3 15 1 0 0 0 0
6 25 1 0 0 0 0
6 37 1 0 0 0 0
7 25 2 0 0 0 0
8 9 1 0 0 0 0
8 11 1 0 0 0 0
8 12 1 0 0 0 0
9 18 2 0 0 0 0
10 35 1 0 0 0 0
10 36 1 0 0 0 0
11 13 1 0 0 0 0
11 14 2 0 0 0 0
12 16 2 0 0 0 0
12 17 1 0 0 0 0
13 21 2 0 0 0 0
13 22 1 0 0 0 0
14 18 1 0 0 0 0
15 19 2 0 0 0 0
15 20 1 0 0 0 0
16 19 1 0 0 0 0
16 27 1 0 0 0 0
17 20 2 0 0 0 0
17 28 1 0 0 0 0
18 25 1 0 0 0 0
19 29 1 0 0 0 0
20 30 1 0 0 0 0
21 23 1 0 0 0 0
21 31 1 0 0 0 0
22 24 2 0 0 0 0
22 32 1 0 0 0 0
23 26 2 0 0 0 0
23 33 1 0 0 0 0
24 26 1 0 0 0 0
24 34 1 0 0 0 0
M END
$$$$