BRJI73
-OEChem-04012119352D
44 47 0 0 0 0 0 0 0999 V2000
4.9836 3.8307 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -3.5352 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.8611 1.0526 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.9654 2.3908 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.7970 -1.5218 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.6701 -3.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6701 -3.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1701 2.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 0.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4791 1.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 0.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1701 2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 2.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1733 1.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6381 -0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 3.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 2.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5891 -0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1244 1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3323 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 4.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0730 -0.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2671 -0.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0730 -2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2671 -2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1773 -0.6495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0501 -4.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -5.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2901 -4.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3356 2.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5851 1.5185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9219 -0.0661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6534 5.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 3.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0423 4.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
2 6 2 0 0 0 0
2 7 2 0 0 0 0
2 12 1 0 0 0 0
2 22 1 0 0 0 0
3 9 1 0 0 0 0
3 16 1 0 0 0 0
4 20 1 0 0 0 0
5 25 1 0 0 0 0
8 11 1 0 0 0 0
8 16 2 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
10 14 2 0 0 0 0
10 15 1 0 0 0 0
11 13 1 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
13 20 2 0 0 0 0
13 21 1 0 0 0 0
14 17 1 0 0 0 0
14 31 1 0 0 0 0
15 18 2 0 0 0 0
15 32 1 0 0 0 0
16 19 1 0 0 0 0
17 33 1 0 0 0 0
18 34 1 0 0 0 0
19 23 1 0 0 0 0
19 24 2 0 0 0 0
20 26 1 0 0 0 0
21 25 2 0 0 0 0
21 35 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 28 2 0 0 0 0
24 29 1 0 0 0 0
24 39 1 0 0 0 0
25 27 1 0 0 0 0
26 27 2 0 0 0 0
26 40 1 0 0 0 0
27 41 1 0 0 0 0
28 30 1 0 0 0 0
28 42 1 0 0 0 0
29 30 2 0 0 0 0
29 43 1 0 0 0 0
30 44 1 0 0 0 0
M END
$$$$