@<TRIPOS>MOLECULE
BindingDB_50181135
 56 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.1525   14.8224  105.6580  C     
2    C        22.0085   15.6074  105.4420  C     
3    C        20.9122   15.5135  106.3234  C     
4    C        20.9313   14.6348  107.4481  C     
5    C        22.1137   13.8689  107.6573  C     
6    C        23.2054   13.9625  106.7680  C     
7    C        19.8219   14.5635  108.3085  C     
8    C        18.9624   15.6843  108.6065  C     
9    N        17.9628   15.1452  109.4924  N     
10   C        18.2091   13.7612  109.7643  C     
11   C        19.3887   13.5022  108.9916  C     
12   C        18.3861   13.4860  111.2168  C     
13   C        19.3606   14.1778  111.9780  C     
14   C        19.5267   13.9127  113.3557  C     
15   C        18.7201   12.9537  113.9943  C     
16   C        17.7298   12.2753  113.2575  C     
17   C        17.5776   12.5287  111.8786  C     
18   C        16.8342   15.7969  109.8318  C     
19   O        15.8541   15.1008  110.0896  O     
20   F        22.2800   13.1066  108.6979  F     
21   F        21.9675   16.4298  104.4265  F     
22   O        16.9409   11.3843  113.9181  O     
23   N        16.6685   17.1296  109.9203  N     
24   C        17.7923   17.9754  110.2992  C     
25   C        15.3808   17.8111  109.6751  C     
26   C        14.9460   17.7630  108.1707  C     
27   C        13.6900   18.6320  107.9313  C     
28   N        12.5756   18.2445  108.8394  N     
29   C        12.9133   18.2269  110.2813  C     
30   C        14.1811   17.3690  110.5680  C     
31   H        23.9447   14.8795  105.0093  H     
32   H        20.0968   16.0922  106.1186  H     
33   H        24.0508   13.4161  106.9289  H     
34   H        19.5845   16.4508  109.0792  H     
35   H        18.4739   16.0770  107.7022  H     
36   H        17.4166   13.1498  109.3229  H     
37   H        19.8113   12.6166  108.9474  H     
38   H        19.9547   14.8884  111.5433  H     
39   H        20.2309   14.4235  113.8914  H     
40   H        18.8452   12.7658  114.9769  H     
41   H        16.8503   12.0213  111.3637  H     
42   H        16.1461   11.2169  113.3627  H     
43   H        18.5295   17.4327  110.8844  H     
44   H        17.4889   18.8180  110.9399  H     
45   H        18.2614   18.4014  109.4051  H     
46   H        15.4908   18.8944  109.8935  H     
47   H        15.7659   18.1348  107.5338  H     
48   H        14.7332   16.7253  107.8765  H     
49   H        13.9246   19.6888  108.1027  H     
50   H        13.3536   18.5178  106.8914  H     
51   H        11.7930   18.8985  108.6992  H     
52   H        12.2692   17.3036  108.5684  H     
53   H        13.0589   19.2547  110.6242  H     
54   H        12.0644   17.8006  110.8217  H     
55   H        13.9289   16.3291  110.3701  H     
56   H        14.4515   17.4682  111.6174  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   21 1
     5    3    4 2
     6    4    5 1
     7    4    7 1
     8    5    6 2
     9    5   20 1
    10    7    8 1
    11    7   11 2
    12    8    9 1
    13    9   10 1
    14    9   18 1
    15   10   11 1
    16   10   12 1
    17   12   13 2
    18   12   17 1
    19   13   14 1
    20   14   15 2
    21   15   16 1
    22   16   17 2
    23   16   22 1
    24   18   19 2
    25   18   23 am
    26   23   24 1
    27   23   25 1
    28   25   26 1
    29   25   30 1
    30   26   27 1
    31   27   28 1
    32   28   29 1
    33   29   30 1
    34    1   31 1
    35    3   32 1
    36    6   33 1
    37    8   34 1
    38    8   35 1
    39   10   36 1
    40   11   37 1
    41   13   38 1
    42   14   39 1
    43   15   40 1
    44   17   41 1
    45   22   42 1
    46   24   43 1
    47   24   44 1
    48   24   45 1
    49   25   46 1
    50   26   47 1
    51   26   48 1
    52   27   49 1
    53   27   50 1
    54   28   51 1
    55   28   52 1
    56   29   53 1
    57   29   54 1
    58   30   55 1
    59   30   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0966
  Crash		| -1.5125
  Polar		| 0.4901
  FragIndex	| 1
  FragRMSD	| 0.265