BR8X2O
-OEChem-04022108243D
40 42 0 0 0 0 0 0 0999 V2000
1.9192 2.9645 -0.1202 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5539 2.0093 -0.6815 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5453 0.6799 0.4178 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6337 0.2211 -0.3066 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1566 0.6779 0.8092 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3702 -0.4603 0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0096 0.0629 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6550 -0.1279 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7409 -0.3866 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2429 1.8036 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1008 0.1997 0.9873 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6516 1.3071 -0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7160 0.3533 0.9228 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8058 -0.2471 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1259 -0.5400 -1.3125 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0588 -1.7651 0.7367 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6731 -1.0507 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0380 -0.7078 -2.6558 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0732 -2.7241 0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8073 0.5195 2.2638 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3670 -2.3702 0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2887 -0.4190 -0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0392 0.0381 1.6909 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1250 1.7030 1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1450 0.0154 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1938 0.7049 1.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6758 -0.8881 -2.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0687 -2.0560 1.0682 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6663 -0.7733 -0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5279 0.1786 -3.0474 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3097 -1.5112 -2.5032 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7354 -1.0473 -3.4296 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8610 -3.7593 0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1129 0.8565 3.0413 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5342 1.3238 2.1108 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3205 -0.3661 2.6524 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1345 -3.1365 0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7809 0.5345 0.1326 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6859 -0.7763 -1.0414 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5685 -1.1553 0.6755 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 2 0 0 0 0
2 12 2 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
3 10 1 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
4 25 1 0 0 0 0
5 23 1 0 0 0 0
5 24 1 0 0 0 0
6 8 1 0 0 0 0
6 16 2 0 0 0 0
7 9 2 0 0 0 0
7 13 1 0 0 0 0
8 12 1 0 0 0 0
8 17 2 0 0 0 0
9 15 1 0 0 0 0
9 18 1 0 0 0 0
10 12 1 0 0 0 0
11 13 2 0 0 0 0
11 14 1 0 0 0 0
11 20 1 0 0 0 0
13 26 1 0 0 0 0
14 15 2 0 0 0 0
14 22 1 0 0 0 0
15 27 1 0 0 0 0
16 19 1 0 0 0 0
16 28 1 0 0 0 0
17 21 1 0 0 0 0
17 29 1 0 0 0 0
18 30 1 0 0 0 0
18 31 1 0 0 0 0
18 32 1 0 0 0 0
19 21 2 0 0 0 0
19 33 1 0 0 0 0
20 34 1 0 0 0 0
20 35 1 0 0 0 0
20 36 1 0 0 0 0
21 37 1 0 0 0 0
22 38 1 0 0 0 0
22 39 1 0 0 0 0
22 40 1 0 0 0 0
M END
$$$$