@<TRIPOS>MOLECULE
BindingDB_19773
 70 73 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -19.0503   -1.6537   40.3208  C     
2    C       -20.3286   -2.3723   40.2106  C     
3    C       -21.7421   -0.5996   41.5823  C     
4    C       -20.5850    0.4268   41.6793  C     
5    C       -18.8811   -0.2461   39.9707  C     
6    O       -18.0689   -2.2583   40.7675  O     
7    N       -19.9552    0.6250   40.3929  N     
8    C       -21.8752    2.7427   39.7387  C     
9    C       -23.2216    4.0051   41.2621  C     
10   C       -22.9410    2.7099   38.8045  C     
11   C       -24.1572    3.3273   39.1340  C     
12   C       -24.3115    3.9755   40.3782  C     
13   N       -22.0483    3.3939   40.9163  N     
14   S       -20.3495    1.9694   39.4390  S     
15   O       -19.2109    3.0784   39.5955  O     
16   O       -20.3654    1.5161   37.9027  O     
17   N       -21.0182   -2.1335   38.9673  N     
18   C       -20.5478   -2.3568   37.7472  C     
19   O       -19.4024   -2.7706   37.5828  O     
20   C       -21.3693   -2.0241   36.5769  C     
21   C       -21.6550   -3.2499   35.6575  C     
22   C       -22.6727   -2.9990   34.4872  C     
23   C       -22.0156   -2.4484   33.1882  C     
24   C       -23.4608   -4.2957   34.1548  C     
25   N       -20.8345   -0.8825   35.8833  N     
26   C       -19.6279   -0.7227   35.3906  C     
27   O       -18.7534   -1.6001   35.4411  O     
28   C       -19.3371    0.4595   34.7574  C     
29   C       -18.1009    0.8172   34.2278  C     
30   O       -20.2419    1.4533   34.5414  O     
31   C       -19.5944    2.4392   33.8795  C     
32   C       -18.2732    2.0692   33.6757  C     
33   C       -17.3581    2.9111   33.0188  C     
34   C       -17.8109    4.1608   32.5692  C     
35   C       -19.1565    4.5468   32.7734  C     
36   C       -20.0602    3.6827   33.4292  C     
37   C       -21.2639   -2.0772   41.4345  C     
38   C       -22.4927   -3.0348   41.4431  C     
39   H       -20.1068   -3.4411   40.2322  H     
40   H       -22.3273   -0.5166   42.5029  H     
41   H       -22.4025   -0.3265   40.7535  H     
42   H       -20.9877    1.3676   42.0706  H     
43   H       -19.8510    0.0904   42.4182  H     
44   H       -17.9541    0.1439   40.4032  H     
45   H       -18.7501   -0.2027   38.8829  H     
46   H       -23.3012    4.4688   42.1710  H     
47   H       -22.8296    2.2493   37.8975  H     
48   H       -24.9347    3.3003   38.4734  H     
49   H       -25.1984    4.4255   40.6218  H     
50   H       -21.9553   -1.8742   39.0198  H     
51   H       -22.3445   -1.6818   36.9207  H     
52   H       -20.7192   -3.6482   35.2518  H     
53   H       -22.0614   -4.0244   36.3174  H     
54   H       -23.4149   -2.2608   34.8116  H     
55   H       -21.5209   -1.4940   33.3671  H     
56   H       -22.7756   -2.2798   32.4187  H     
57   H       -21.2744   -3.1471   32.7972  H     
58   H       -22.7861   -5.0638   33.7645  H     
59   H       -24.2380   -4.0902   33.4102  H     
60   H       -23.9554   -4.6888   35.0454  H     
61   H       -21.4621   -0.1389   35.7725  H     
62   H       -17.2421    0.2636   34.2477  H     
63   H       -16.3861    2.6289   32.8912  H     
64   H       -17.1666    4.7997   32.0968  H     
65   H       -19.4777    5.4612   32.4603  H     
66   H       -21.0286    3.9545   33.5893  H     
67   H       -20.6907   -2.3168   42.3373  H     
68   H       -23.1602   -2.8230   40.6048  H     
69   H       -23.0555   -2.9189   42.3720  H     
70   H       -22.1678   -4.0768   41.3753  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    1    6 2
     4    2   17 1
     5    2   37 1
     6    3    4 1
     7    3   37 1
     8    4    7 1
     9    5    7 1
    10    7   14 1
    11    8   10 2
    12    8   13 1
    13    8   14 1
    14    9   12 1
    15    9   13 2
    16   10   11 1
    17   11   12 2
    18   14   15 2
    19   14   16 2
    20   17   18 am
    21   18   19 2
    22   18   20 1
    23   20   21 1
    24   20   25 1
    25   21   22 1
    26   22   23 1
    27   22   24 1
    28   25   26 am
    29   26   27 2
    30   26   28 1
    31   28   29 2
    32   28   30 1
    33   29   32 1
    34   30   31 1
    35   31   32 2
    36   31   36 1
    37   32   33 1
    38   33   34 2
    39   34   35 1
    40   35   36 2
    41   37   38 1
    42    2   39 1
    43    3   40 1
    44    3   41 1
    45    4   42 1
    46    4   43 1
    47    5   44 1
    48    5   45 1
    49    9   46 1
    50   10   47 1
    51   11   48 1
    52   12   49 1
    53   17   50 1
    54   20   51 1
    55   21   52 1
    56   21   53 1
    57   22   54 1
    58   23   55 1
    59   23   56 1
    60   23   57 1
    61   24   58 1
    62   24   59 1
    63   24   60 1
    64   25   61 1
    65   29   62 1
    66   33   63 1
    67   34   64 1
    68   35   65 1
    69   36   66 1
    70   37   67 1
    71   38   68 1
    72   38   69 1
    73   38   70 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.8623
  Crash		| -1.9315
  Polar		| 1.0401
  FragIndex	| 1
  FragRMSD	| 1.315