BRH36X
-OEChem-04022106212D
56 59 0 1 0 0 0 0 0999 V2000
2.9945 4.1807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1136 -3.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8457 -4.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6913 4.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2901 5.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3457 0.9446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6547 -0.0064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3457 0.9446 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.0366 -0.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8457 -0.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7579 1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9334 1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8457 -1.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 1.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1646 2.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9280 1.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5267 2.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9796 -2.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7117 -2.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5768 3.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 3.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9796 -3.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5158 2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1145 3.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7117 -3.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1090 3.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8457 -3.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6968 4.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2476 -3.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7117 -5.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6271 1.4970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4702 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7266 -0.5434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5112 1.0827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7812 2.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1802 1.0827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9101 2.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4427 -1.7842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2486 -1.7842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5590 2.3933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8290 4.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1324 2.3933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8623 4.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2486 -3.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9352 4.6928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 4.0114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0648 3.4596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5576 -2.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7106 -2.7842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9376 -3.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4017 -5.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2486 -5.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0217 -4.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0558 4.5777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
1 30 1 0 0 0 0
2 23 1 0 0 0 0
2 31 1 0 0 0 0
3 28 1 0 0 0 0
3 32 1 0 0 0 0
4 29 1 0 0 0 0
4 56 1 0 0 0 0
5 29 2 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 12 1 0 0 0 0
7 10 2 0 0 0 0
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8 11 1 0 0 0 0
8 33 1 0 0 0 0
9 10 1 0 0 0 0
9 34 1 0 0 0 0
9 35 1 0 0 0 0
10 13 1 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
12 16 2 0 0 0 0
12 17 1 0 0 0 0
13 18 2 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
14 36 1 0 0 0 0
15 21 2 0 0 0 0
15 37 1 0 0 0 0
16 24 1 0 0 0 0
16 38 1 0 0 0 0
17 25 2 0 0 0 0
17 39 1 0 0 0 0
18 23 1 0 0 0 0
18 40 1 0 0 0 0
19 26 2 0 0 0 0
19 41 1 0 0 0 0
20 22 2 0 0 0 0
20 42 1 0 0 0 0
21 22 1 0 0 0 0
21 43 1 0 0 0 0
23 28 2 0 0 0 0
24 27 2 0 0 0 0
24 44 1 0 0 0 0
25 27 1 0 0 0 0
25 45 1 0 0 0 0
26 28 1 0 0 0 0
26 46 1 0 0 0 0
27 29 1 0 0 0 0
30 47 1 0 0 0 0
30 48 1 0 0 0 0
30 49 1 0 0 0 0
31 50 1 0 0 0 0
31 51 1 0 0 0 0
31 52 1 0 0 0 0
32 53 1 0 0 0 0
32 54 1 0 0 0 0
32 55 1 0 0 0 0
M END
$$$$