12GIU_FBR_A_600
2     RDKit          3D
3
4 39 41  0  0  0  0  0  0  0  0999 V2000
5   22.9210    9.0370  115.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
6   22.4450    8.0850  116.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
7   20.9070    8.1950  116.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
8   20.3470    7.7940  115.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
9   19.2410    7.3180  115.1040 O   0  0  0  0  0  0  0  0  0  0  0  0
10   21.1430    8.0220  113.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
11   20.4090    7.1960  112.5220 Br  0  0  0  0  0  0  0  0  0  0  0  0
12   22.3490    8.6250  113.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
13   23.4070    8.7370  112.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
14   23.3580    8.6780  111.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
15   24.5470    8.8530  110.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
16   25.7740    9.0260  111.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
17   26.9270    9.1090  110.8390 O   0  0  0  0  0  0  0  0  0  0  0  0
18   25.8120    9.0600  112.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
19   24.6150    8.9510  113.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
20   24.4460    9.0220  115.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
21   22.4130   10.4820  115.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
22   23.1370   11.2900  116.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
23   22.2290   12.2960  117.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
24   23.0160   12.8190  118.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
25   22.7432    7.0516  116.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
26   22.8939    8.3552  117.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
27   20.5141    7.5245  117.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
28   20.6121    9.2278  116.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
29   22.4068    8.4982  111.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
30   24.5222    8.8554  109.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
31   27.7880    9.1710  111.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
32   26.7692    9.1708  113.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
33   24.9024    9.9383  115.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
34   24.9342    8.1861  115.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
35   22.5311   11.0119  114.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
36   21.3664   10.3986  115.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
37   23.5392   10.5902  117.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
38   23.9308   11.8652  116.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
39   21.9806   13.1282  116.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
40   21.2856   11.8238  117.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
41   22.5198   12.4893  119.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
42   24.0416   12.4221  118.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
43   23.0473   13.9182  118.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
44  1  2  1  0
45  1  8  1  0
46  1 16  1  0
47  1 17  1  0
48  2  3  1  0
49  3  4  1  0
50  4  5  2  0
51  4  6  1  0
52  6  7  1  0
53  6  8  2  0
54  8  9  1  0
55  9 10  2  0
56  9 15  1  0
57 10 11  1  0
58 11 12  2  0
59 12 13  1  0
60 12 14  1  0
61 14 15  2  0
62 15 16  1  0
63 17 18  1  0
64 18 19  1  0
65 19 20  1  0
66  2 21  1  0
67  2 22  1  0
68  3 23  1  0
69  3 24  1  0
70 10 25  1  0
71 11 26  1  0
72 13 27  1  0
73 14 28  1  0
74 16 29  1  0
75 16 30  1  0
76 17 31  1  0
77 17 32  1  0
78 18 33  1  0
79 18 34  1  0
80 19 35  1  0
81 19 36  1  0
82 20 37  1  0
83 20 38  1  0
84 20 39  1  0
85A    1
86C1
87A    2
88C2
89A    3
90C3
91A    4
92C4
93A    5
94O5
95A    6
96C6
97A    7
98BR7
99A    8
100C8
101A    9
102C9
103A   10
104C10
105A   11
106C11
107A   12
108C12
109A   13
110O13
111A   14
112C14
113A   15
114C15
115A   16
116C16
117A   17
118C17
119A   18
120C18
121A   19
122C19
123A   20
124C20
125M  END
126