BRJI73
-OEChem-04022110053D
44 47 0 0 0 0 0 0 0999 V2000
4.1432 -0.8863 -2.4460 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-5.5265 -2.0853 -0.2189 S 0 0 0 0 0 0 0 0 0 0 0 0
1.4297 -1.7144 0.1484 S 0 0 0 0 0 0 0 0 0 0 0 0
1.1942 2.6325 -1.9327 F 0 0 0 0 0 0 0 0 0 0 0 0
-2.4475 3.7390 1.9961 F 0 0 0 0 0 0 0 0 0 0 0 0
-5.9475 -2.0723 -1.6133 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7006 -3.2919 0.5773 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2063 0.7510 0.1871 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2274 -0.4930 0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1606 -0.8780 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8270 0.7486 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8457 -1.6213 -0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0913 1.9820 0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9372 -0.4839 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7266 -1.6439 1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6326 -0.4922 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2797 -0.8555 -1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0692 -2.0155 0.9586 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0187 -0.8897 0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3044 2.8923 -0.9637 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8381 2.2680 1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3937 -0.7631 0.5956 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7900 -1.0940 -0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5828 -1.0696 1.5516 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5548 3.4642 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4121 4.0887 -0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3416 4.3746 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1256 -1.4784 -0.7364 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9184 -1.4541 1.6705 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6898 -1.6585 0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5138 0.1081 -1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1447 -1.9526 1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8675 -0.5334 -2.0053 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4916 -2.6038 1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0134 1.5796 1.8947 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2075 0.1685 0.0578 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0447 -0.6925 1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4605 -0.9964 0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9979 -0.9136 2.4552 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2461 4.7972 -1.8051 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8996 5.3059 -0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7411 -1.6420 -1.6174 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3579 -1.5941 2.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7297 -1.9578 0.6194 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
$$$$