@<TRIPOS>MOLECULE
BindingDB_12132
 58 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.4845   -2.2835    9.2414  C     
2    C        18.9269   -1.0118    9.0836  C     
3    N        19.8750   -0.2236    8.5284  N     
4    C        20.9925   -0.9354    8.2958  C     
5    C        20.7675   -2.2388    8.7289  C     
6    C        22.2140   -0.5910    7.6929  C     
7    C        23.1904   -1.5982    7.5052  C     
8    C        21.7250   -3.2506    8.5556  C     
9    C        17.6057   -0.6467    9.2905  C     
10   C        16.6120   -1.3311    9.9504  C     
11   C        14.1752   -1.1579    9.9813  C     
12   C        15.4362   -0.6957    9.5792  C     
13   C        16.5620   -2.4251   10.8329  C     
14   C        15.3067   -2.9105   11.2573  C     
15   C        14.1008   -2.2901   10.8282  C     
16   N        17.0539    0.3365    8.6658  N     
17   N        15.7966    0.3377    8.8212  N     
18   C        22.9533   -2.9377    7.9250  C     
19   C        23.9559   -4.0100    7.6682  C     
20   C        22.4095   -5.7050    5.3605  C     
21   C        24.6084   -6.7899    6.1153  C     
22   C        25.2738   -5.3833    6.0405  C     
23   C        23.1720   -4.3587    5.2564  C     
24   N        24.3107   -4.2441    6.2252  N     
25   C        23.3793   -6.8997    5.1730  C     
26   C        12.8655   -2.8198   11.1695  C     
27   C        12.3931   -3.2640   12.3327  C     
28   C        12.9515   -3.1234   13.6577  C     
29   O        12.3718   -1.9779   14.2734  O     
30   N        11.8737   -2.9180   10.3713  N     
31   N        10.9024   -3.3947   10.9452  N     
32   N        11.1790   -3.6123   12.1163  N     
33   F        22.7086   -8.0792    5.4068  F     
34   H        19.0221   -3.1340    9.5661  H     
35   H        19.7551    0.7136    8.3099  H     
36   H        22.3778    0.3632    7.3651  H     
37   H        24.0658   -1.3552    7.0383  H     
38   H        21.5053   -4.2030    8.8541  H     
39   H        13.3313   -0.6746    9.6546  H     
40   H        17.4125   -2.8783   11.1681  H     
41   H        15.2805   -3.7435   11.8532  H     
42   H        15.1835    0.9774    8.4263  H     
43   H        24.8703   -3.7223    8.2024  H     
44   H        23.6169   -4.9480    8.1187  H     
45   H        21.9139   -5.7703    6.3346  H     
46   H        21.6324   -5.7374    4.5902  H     
47   H        25.3461   -7.5500    5.8378  H     
48   H        24.2982   -6.9946    7.1425  H     
49   H        26.0762   -5.3317    6.7812  H     
50   H        25.7505   -5.2748    5.0606  H     
51   H        23.5723   -4.2595    4.2429  H     
52   H        22.4660   -3.5348    5.3825  H     
53   H        24.8178   -3.4037    5.9438  H     
54   H        23.7254   -6.9186    4.1363  H     
55   H        12.7318   -4.0086   14.2565  H     
56   H        14.0311   -2.9838   13.6343  H     
57   H        13.1077   -1.5761   14.7846  H     
58   H        11.8882   -2.6768    9.4687  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   25   33 1
    32   26   27 2
    33   26   30 1
    34   27   28 1
    35   27   32 1
    36   28   29 1
    37   30   31 1
    38   31   32 2
    39    1   34 1
    40    3   35 1
    41    6   36 1
    42    7   37 1
    43    8   38 1
    44   11   39 1
    45   13   40 1
    46   14   41 1
    47   17   42 1
    48   19   43 1
    49   19   44 1
    50   20   45 1
    51   20   46 1
    52   21   47 1
    53   21   48 1
    54   22   49 1
    55   22   50 1
    56   23   51 1
    57   23   52 1
    58   24   53 1
    59   25   54 1
    60   28   55 1
    61   28   56 1
    62   29   57 1
    63   30   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.3952
  Crash		| -1.1013
  Polar		| 2.7304
  FragIndex	| 1
  FragRMSD	| 1.365