@<TRIPOS>MOLECULE
BindingDB_15650
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        40.0852   52.4678  -81.4416  C     
2    C        41.8685   51.2305  -80.8106  C     
3    C        40.7985   50.3978  -80.3633  C     
4    N        41.5107   52.3762  -81.3654  N     
5    C        42.4690   53.3590  -81.8724  C     
6    C        42.5034   55.1752  -80.0223  C     
7    C        42.0900   56.2709  -81.0347  C     
8    C        41.2721   55.6890  -82.2139  C     
9    C        41.9575   54.4573  -82.8664  C     
10   C        43.2842   54.0356  -80.7223  C     
11   O        43.0273   50.8529  -80.6837  O     
12   C        39.5285   51.2067  -80.7130  C     
13   C        38.6793   51.4914  -79.5571  C     
14   O        39.0784   52.2757  -78.7058  O     
15   N        37.5377   50.8222  -79.3868  N     
16   C        36.5791   51.0126  -78.4354  C     
17   C        35.0167   52.4850  -77.2458  C     
18   C        36.1345   52.3079  -78.0745  C     
19   C        35.9048   49.8902  -77.8903  C     
20   C        34.7852   50.0717  -77.0470  C     
21   C        34.3263   51.3674  -76.7507  C     
22   Br       36.5043   48.1465  -78.1648  Br    
23   H        39.7447   53.3915  -80.9721  H     
24   H        39.7676   52.4745  -82.4937  H     
25   H        40.8205   49.4464  -80.8968  H     
26   H        40.9021   50.2103  -79.2904  H     
27   H        43.1858   52.7751  -82.4657  H     
28   H        43.1348   55.6209  -79.2495  H     
29   H        41.6137   54.7678  -79.5317  H     
30   H        41.4946   57.0308  -80.5184  H     
31   H        42.9872   56.7617  -81.4228  H     
32   H        40.2752   55.4200  -81.8668  H     
33   H        41.1477   56.4651  -82.9721  H     
34   H        42.8221   54.8259  -83.4214  H     
35   H        41.2822   54.0095  -83.5973  H     
36   H        43.5800   53.3029  -79.9687  H     
37   H        44.2015   54.4495  -81.1411  H     
38   H        38.9561   50.6237  -81.4474  H     
39   H        37.3704   50.1064  -80.0197  H     
40   H        34.6919   53.4269  -77.0202  H     
41   H        36.5954   53.1334  -78.4585  H     
42   H        34.3032   49.2593  -76.6492  H     
43   H        33.5087   51.4948  -76.1467  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   12 1
     3    2    3 1
     4    2    4 1
     5    2   11 2
     6    3   12 1
     7    4    5 1
     8    5    9 1
     9    5   10 1
    10    6    7 1
    11    6   10 1
    12    7    8 1
    13    8    9 1
    14   12   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   18 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   19   20 1
    23   19   22 1
    24   20   21 2
    25    1   23 1
    26    1   24 1
    27    3   25 1
    28    3   26 1
    29    5   27 1
    30    6   28 1
    31    6   29 1
    32    7   30 1
    33    7   31 1
    34    8   32 1
    35    8   33 1
    36    9   34 1
    37    9   35 1
    38   10   36 1
    39   10   37 1
    40   12   38 1
    41   15   39 1
    42   17   40 1
    43   18   41 1
    44   20   42 1
    45   21   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.8194
  Crash		| -1.7241
  Polar		| 0.0001
  FragIndex	| 1
  FragRMSD	| 1.428