@<TRIPOS>MOLECULE
BindingDB_12113
 53 57 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.0751   -2.3671    9.2067  C     
2    C        18.5331   -1.0815    9.1153  C     
3    N        19.5465   -0.2613    8.7668  N     
4    C        20.6957   -0.9506    8.6208  C     
5    C        20.4115   -2.2869    8.8644  C     
6    C        21.9947   -0.5482    8.2711  C     
7    C        22.9957   -1.5402    8.1472  C     
8    C        21.3883   -3.2852    8.7326  C     
9    C        17.1931   -0.7200    9.2671  C     
10   C        16.1315   -1.4446    9.7831  C     
11   C        13.7037   -1.0744    9.8827  C     
12   C        15.0083   -0.6600    9.5497  C     
13   C        15.9766   -2.6786   10.4535  C     
14   C        14.6794   -3.1295   10.7909  C     
15   C        13.5391   -2.3459   10.5013  C     
16   N        16.7221    0.4002    8.8347  N     
17   N        15.4677    0.4619    8.9890  N     
18   C        22.7007   -2.9132    8.3667  C     
19   C        23.7444   -3.9532    8.1716  C     
20   C        24.5880   -6.7273    6.7258  C     
21   C        22.3795   -6.0093    5.9470  C     
22   C        22.8911   -4.5377    5.8485  C     
23   C        25.1372   -5.2814    6.5755  C     
24   N        24.0654   -4.2336    6.7355  N     
25   N        23.4978   -6.9313    5.7862  N     
26   C        23.5478   -7.8960    4.8397  C     
27   C        22.5113   -8.1929    3.8690  C     
28   O        24.5322   -8.6286    4.7378  O     
29   C        12.3467   -2.7818   10.8159  C     
30   N        11.3045   -3.1771   11.0898  N     
31   H        18.5886   -3.2304    9.4261  H     
32   H        19.4583    0.6839    8.5865  H     
33   H        22.2085    0.4366    8.0973  H     
34   H        23.9459   -1.2618    7.9003  H     
35   H        21.1317   -4.2601    8.8910  H     
36   H        12.8912   -0.4726    9.6663  H     
37   H        16.7827   -3.2352   10.7210  H     
38   H        14.5825   -4.0425   11.2420  H     
39   H        14.8991    1.1969    8.7039  H     
40   H        24.6414   -3.5968    8.6849  H     
41   H        23.4447   -4.8820    8.6597  H     
42   H        25.4331   -7.4142    6.5880  H     
43   H        24.2332   -6.8765    7.7459  H     
44   H        21.9182   -6.1643    6.9214  H     
45   H        21.5912   -6.1287    5.2078  H     
46   H        23.2079   -4.3626    4.8161  H     
47   H        22.0524   -3.8606    6.0528  H     
48   H        25.9553   -5.1226    7.2855  H     
49   H        25.5748   -5.1979    5.5768  H     
50   H        24.4689   -3.3639    6.3710  H     
51   H        21.5828   -8.4705    4.3847  H     
52   H        22.7889   -9.0245    3.2049  H     
53   H        22.3417   -7.3108    3.2541  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   29 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   26 am
    32   26   27 1
    33   26   28 2
    34   29   30 3
    35    1   31 1
    36    3   32 1
    37    6   33 1
    38    7   34 1
    39    8   35 1
    40   11   36 1
    41   13   37 1
    42   14   38 1
    43   17   39 1
    44   19   40 1
    45   19   41 1
    46   20   42 1
    47   20   43 1
    48   21   44 1
    49   21   45 1
    50   22   46 1
    51   22   47 1
    52   23   48 1
    53   23   49 1
    54   24   50 1
    55   27   51 1
    56   27   52 1
    57   27   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9639
  Crash		| -1.8928
  Polar		| 2.3582
  FragIndex	| 1
  FragRMSD	| 0.770