B2XOS3
-OEChem-04042104123D
39 41 0 1 0 0 0 0 0999 V2000
-6.5113 -1.1821 -0.8292 Br 0 0 0 0 0 0 0 0 0 0 0 0
1.6840 -0.3932 -0.8848 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1608 0.7079 1.8636 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7971 0.3474 -0.2998 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4424 1.6863 -0.1530 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2561 -2.9034 0.7130 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5529 1.1742 -0.4743 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5298 -0.7980 -0.8418 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9809 -0.3159 -0.8876 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0660 0.6598 0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7088 1.3464 0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4212 0.4730 -0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8430 1.7679 0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3768 -1.9752 0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4687 1.1540 0.7615 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8911 1.1163 0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6198 -0.0768 0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9661 -0.0007 -0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4929 2.3285 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0395 -1.3204 0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6894 -1.1861 -0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8146 2.3029 -0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7862 -2.4903 0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1128 -2.4227 0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1542 -1.0295 -1.8447 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1583 0.2321 -1.8217 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7212 -1.1192 -0.8195 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1905 0.1082 1.2222 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8957 1.3660 0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7123 2.2092 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3792 1.6691 1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2484 2.6172 -0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0317 1.8748 1.1729 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1030 2.0082 -1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9610 3.2713 0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0019 -1.4162 0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3382 3.2197 -0.6178 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3335 -3.4499 0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6858 -3.3430 -0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
2 12 2 0 0 0 0
3 15 2 0 0 0 0
4 8 1 0 0 0 0
4 11 1 0 0 0 0
4 12 1 0 0 0 0
5 13 1 0 0 0 0
5 15 1 0 0 0 0
5 34 1 0 0 0 0
6 14 3 0 0 0 0
7 18 2 0 0 0 0
7 22 1 0 0 0 0
8 9 1 0 0 0 0
8 14 1 0 0 0 0
8 25 1 0 0 0 0
9 10 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 11 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 13 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
16 19 1 0 0 0 0
17 18 1 0 0 0 0
17 20 1 0 0 0 0
18 21 1 0 0 0 0
19 22 2 0 0 0 0
19 35 1 0 0 0 0
20 23 2 0 0 0 0
20 36 1 0 0 0 0
21 24 2 0 0 0 0
22 37 1 0 0 0 0
23 24 1 0 0 0 0
23 38 1 0 0 0 0
24 39 1 0 0 0 0
M END
$$$$