@<TRIPOS>MOLECULE
BindingDB_12133
 60 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.7551   -2.1984    9.0919  C     
2    C        19.1126   -0.9563    9.0644  C     
3    N        19.9382   -0.0880    8.4450  N     
4    C        21.0696   -0.7088    8.0780  C     
5    C        20.9799   -2.0384    8.4726  C     
6    C        22.2055   -0.2561    7.3927  C     
7    C        23.2427   -1.1741    7.1038  C     
8    C        22.0039   -2.9614    8.2086  C     
9    C        17.8208   -0.6898    9.4753  C     
10   C        17.0682   -1.3790   10.3861  C     
11   C        14.7040   -1.4409   10.9635  C     
12   C        15.7752   -0.9048   10.2306  C     
13   C        17.3472   -2.3558   11.3606  C     
14   C        16.2871   -2.9100   12.0988  C     
15   C        14.9454   -2.4761   11.9179  C     
16   N        17.0518    0.1581    8.8824  N     
17   N        15.8597    0.0637    9.3073  N     
18   C        23.1550   -2.5402    7.5013  C     
19   C        24.3041   -3.4717    7.2597  C     
20   C        22.8443   -6.4242    5.1825  C     
21   C        24.3373   -7.3739    7.0182  C     
22   C        24.3501   -5.9792    7.7074  C     
23   C        22.8583   -5.0535    5.9081  C     
24   N        24.1012   -4.8694    6.7197  N     
25   C        23.0455   -7.5918    6.1797  C     
26   C        13.8818   -3.0478   12.6242  C     
27   C        13.7805   -3.5908   13.8452  C     
28   C        14.7512   -3.7871   14.9093  C     
29   N        12.6910   -3.1217   12.1639  N     
30   N        11.9344   -3.6481   12.9665  N     
31   N        12.5546   -3.9315   13.9823  N     
32   F        21.9499   -7.7108    7.0066  F     
33   N        15.4475   -2.5394   15.2459  N     
34   H        19.3869   -3.0899    9.4248  H     
35   H        19.7435    0.8461    8.2907  H     
36   H        22.2750    0.7201    7.1099  H     
37   H        24.0669   -0.8275    6.6109  H     
38   H        21.8779   -3.9265    8.5021  H     
39   H        13.7635   -1.0644   10.8091  H     
40   H        18.2995   -2.6783   11.5340  H     
41   H        16.5206   -3.6587   12.7529  H     
42   H        15.1127    0.5838    8.9689  H     
43   H        24.9835   -2.9992    6.5397  H     
44   H        24.8682   -3.5139    8.1969  H     
45   H        21.8945   -6.5462    4.6515  H     
46   H        23.6492   -6.4381    4.4422  H     
47   H        25.2056   -7.4508    6.3538  H     
48   H        24.4232   -8.1537    7.7776  H     
49   H        23.6165   -5.9819    8.5244  H     
50   H        25.3437   -5.8467    8.1628  H     
51   H        22.7962   -4.2673    5.1483  H     
52   H        21.9672   -4.9733    6.5372  H     
53   H        24.8640   -4.9834    6.0433  H     
54   H        23.1408   -8.5278    5.6214  H     
55   H        14.2646   -4.1521   15.8199  H     
56   H        15.4716   -4.5465   14.6103  H     
57   H        12.4497   -2.9028   11.2845  H     
58   H        15.9216   -2.1702   14.4199  H     
59   H        16.1450   -2.7085   15.9770  H     
60   H        14.7658   -1.8532   15.5735  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   32 1
    32   26   27 2
    33   26   29 1
    34   27   28 1
    35   27   31 1
    36   28   33 1
    37   29   30 1
    38   30   31 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   33   58 1
    64   33   59 1
    65   33   60 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9306
  Crash		| -0.6447
  Polar		| 3.6805
  FragIndex	| 1
  FragRMSD	| 0.679