@<TRIPOS>MOLECULE
BindingDB_12122
 56 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.0111   -5.0793   15.7422  C     
2    C        13.4015   -5.4261   14.5324  C     
3    N        13.0079   -6.7150   14.6183  N     
4    C        13.3295   -7.2059   15.8244  C     
5    C        13.9330   -6.1901   16.5662  C     
6    C        13.1206   -8.4800   16.3714  C     
7    C        13.5288   -8.7099   17.7163  C     
8    C        14.2760   -6.3855   17.9173  C     
9    C        13.1570   -4.6017   13.4590  C     
10   C        14.0119   -3.7085   12.8759  C     
11   C        13.8958   -2.2405   10.9383  C     
12   C        13.3022   -3.1584   11.8222  C     
13   C        15.3617   -3.3665   13.0847  C     
14   C        15.9814   -2.4711   12.1918  C     
15   C        15.2705   -1.9122   11.0945  C     
16   N        12.0518   -4.5890   12.8030  N     
17   N        12.0921   -3.7344   11.8641  N     
18   C        14.0423   -7.6631   18.5127  C     
19   C        14.2351   -7.8592   19.9800  C     
20   C        10.5624   -8.0243   21.3123  C     
21   C        12.0439   -8.9818   22.9767  C     
22   C        13.1851   -9.0869   21.9285  C     
23   C        11.6784   -8.1311   20.2341  C     
24   N        13.0178   -8.0301   20.8828  N     
25   O        10.7492   -9.0221   22.3351  O     
26   C        15.9491   -1.1045   10.1406  C     
27   C        17.3136   -1.0798    9.8729  C     
28   C        15.4179   -0.1974    9.2241  C     
29   N        17.5375   -0.2162    8.8679  N     
30   N        16.4163    0.3204    8.4900  N     
31   C        18.8107    0.0315    8.2880  C     
32   H        14.3547   -4.1494   16.0046  H     
33   H        12.5653   -7.2065   13.9068  H     
34   H        12.6818   -9.2218   15.8312  H     
35   H        13.3347   -9.6223   18.1253  H     
36   H        14.6521   -5.6137   18.4625  H     
37   H        13.3491   -1.8866   10.1522  H     
38   H        15.9006   -3.7903   13.8425  H     
39   H        16.9656   -2.2445   12.3462  H     
40   H        11.3617   -3.5609   11.2491  H     
41   H        14.9332   -8.6915   20.0905  H     
42   H        14.7607   -6.9944   20.3934  H     
43   H        10.5922   -7.0181   21.7337  H     
44   H         9.5949   -8.1759   20.8351  H     
45   H        12.1170   -9.8243   23.6647  H     
46   H        12.1480   -8.0608   23.5606  H     
47   H        14.1398   -8.9680   22.4501  H     
48   H        13.1643  -10.0849   21.4734  H     
49   H        11.5352   -9.0904   19.7443  H     
50   H        11.5239   -7.3382   19.5084  H     
51   H        12.9676   -7.1556   21.4196  H     
52   H        18.0296   -1.6487   10.3322  H     
53   H        14.4334    0.0527    9.1156  H     
54   H        19.5183    0.3518    9.0562  H     
55   H        18.7454    0.8094    7.5262  H     
56   H        19.1850   -0.8834    7.8242  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    9 1
     5    3    4 1
     6    4    5 2
     7    4    6 1
     8    5    8 1
     9    6    7 2
    10    7   18 1
    11    8   18 2
    12    9   10 1
    13    9   16 2
    14   10   12 1
    15   10   13 2
    16   11   12 2
    17   11   15 1
    18   12   17 1
    19   13   14 1
    20   14   15 2
    21   15   26 1
    22   16   17 1
    23   18   19 1
    24   19   24 1
    25   20   23 1
    26   20   25 1
    27   21   22 1
    28   21   25 1
    29   22   24 1
    30   23   24 1
    31   26   27 2
    32   26   28 1
    33   27   29 1
    34   28   30 2
    35   29   30 1
    36   29   31 1
    37    1   32 1
    38    3   33 1
    39    6   34 1
    40    7   35 1
    41    8   36 1
    42   11   37 1
    43   13   38 1
    44   14   39 1
    45   17   40 1
    46   19   41 1
    47   19   42 1
    48   20   43 1
    49   20   44 1
    50   21   45 1
    51   21   46 1
    52   22   47 1
    53   22   48 1
    54   23   49 1
    55   23   50 1
    56   24   51 1
    57   27   52 1
    58   28   53 1
    59   31   54 1
    60   31   55 1
    61   31   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.7575
  Crash		| -1.3631
  Polar		| 3.1188
  FragIndex	| 1
  FragRMSD	| 1.326