B6OPT3
-OEChem-04012114353D
37 39 0 0 0 0 0 0 0999 V2000
-4.4913 0.6938 -0.0242 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.3960 5.7878 0.1618 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.9346 -1.0925 0.0368 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 0.2684 -0.0624 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3562 -1.9435 1.1408 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9819 -3.4322 0.9716 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8805 -2.7010 -0.9732 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9799 -0.8848 -0.0246 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6798 -2.0315 -0.0611 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2466 -1.9063 -1.4328 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7564 0.2394 -0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4152 -0.9338 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2347 1.5836 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0571 -0.2095 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1897 -1.0311 0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1419 0.1024 -0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0556 -2.0180 0.5745 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9481 -1.6126 -0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5359 0.0535 -0.5657 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4495 -2.0669 0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9963 2.2025 1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9689 2.2646 -1.1529 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4922 3.5025 1.3012 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4645 3.5646 -1.1139 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0069 -2.5829 -0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2262 4.1835 0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7487 0.8675 -1.2156 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5070 -2.8349 1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0939 0.8466 -1.0561 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9380 -2.9228 1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1978 1.6850 2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1684 1.8059 -2.1193 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3111 3.9722 2.2646 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2661 4.0845 -2.0475 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6540 -1.3612 -2.2024 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5926 -2.8720 -1.3788 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7103 -4.0883 0.9319 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
$$$$