12OXX_K22_A_501
2     RDKit          3D
3
4 16 17  0  0  0  0  0  0  0  0999 V2000
5   22.5810    8.4420   16.7820 Br  0  0  0  0  0  0  0  0  0  0  0  0
6   22.1910    7.8580   18.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
7   21.2130    8.6120   19.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
8   20.3270   10.0520   18.2530 Br  0  0  0  0  0  0  0  0  0  0  0  0
9   22.8050    6.7860   19.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
10   23.7590    5.8770   18.9430 N   0  0  0  0  0  0  0  0  0  0  0  0
11   23.9310    5.0750   20.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
12   24.9650    3.7980   20.2190 S   0  0  0  0  0  0  0  0  0  0  0  0
13   23.1030    5.4640   21.0070 N   0  0  0  0  0  0  0  0  0  0  0  0
14   22.4130    6.4980   20.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
15   21.4450    7.2530   21.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
16   20.8900    6.8860   22.9370 Br  0  0  0  0  0  0  0  0  0  0  0  0
17   20.8740    8.2780   20.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
18   19.5750    9.2700   21.2980 Br  0  0  0  0  0  0  0  0  0  0  0  0
19   24.2731    5.8003   18.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
20   23.0164    5.0419   21.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
21  1  2  1  0
22  2  3  2  0
23  2  5  1  0
24  3  4  1  0
25  3 13  1  0
26  5  6  1  0
27  5 10  2  0
28  6  7  1  0
29  7  8  2  0
30  7  9  1  0
31  9 10  1  0
32 10 11  1  0
33 11 13  2  0
34 11 12  1  0
35 13 14  1  0
36  6 15  1  0
37  9 16  1  0
38A    1
39BR1
40A    2
41C5
42A    3
43C2
44A    4
45BR2
46A    5
47C7
48A    6
49N14
50A    7
51C13
52A    8
53S10
54A    9
55N6
56A   10
57C8
58A   11
59C4
60A   12
61BR4
62A   13
63C3
64A   14
65BR3
66M  END
67