119GS_BSP_A_210
2     RDKit          3D
3
4 16 17  0  0  0  0  0  0  0  0999 V2000
5    6.7360    2.0250   29.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
6    6.1550    1.1550   30.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
7    5.1830    1.6860   31.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
8    4.7830    3.0590   31.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
9    5.3620    3.9530   30.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
10    6.3340    3.4280   29.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
11    7.1120    4.6240   28.4260 Br  0  0  0  0  0  0  0  0  0  0  0  0
12    4.8000    5.8220   30.6670 Br  0  0  0  0  0  0  0  0  0  0  0  0
13    8.0630    1.2960   28.6000 Br  0  0  0  0  0  0  0  0  0  0  0  0
14    6.6480   -0.7180   30.9870 Br  0  0  0  0  0  0  0  0  0  0  0  0
15    3.7730    3.3080   32.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
16    3.5740    2.1160   33.4260 O   0  0  0  0  0  0  0  0  0  0  0  0
17    3.1980    4.3600   33.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
18    4.3880    1.0080   32.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
19    3.7532    0.1952   32.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
20    5.0305    0.5394   33.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
21  1  2  2  0
22  1  6  1  0
23  1  9  1  0
24  2  3  1  0
25  2 10  1  0
26  3  4  2  0
27  3 14  1  0
28  4  5  1  0
29  4 11  1  0
30  5  6  2  0
31  5  8  1  0
32  6  7  1  0
33 11 12  1  0
34 11 13  2  0
35 12 14  1  0
36 14 15  1  0
37 14 16  1  0
38A    1
39C5
40A    2
41C4
42A    3
43C3
44A    4
45C8
46A    5
47C7
48A    6
49C6
50A    7
51BR6
52A    8
53BR7
54A    9
55BR5
56A   10
57BR4
58A   11
59C9
60A   12
61O1
62A   13
63O9
64A   14
65C2
66M  END
67