@<TRIPOS>MOLECULE
BindingDB_13505
 71 76 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.8741   17.4098   78.7662  C     
2    C        16.9500   17.3251   77.8569  C     
3    C        18.2503   17.0263   78.3072  C     
4    C        18.5218   16.8030   79.6762  C     
5    C        17.4565   16.9858   80.5944  C     
6    C        16.1518   17.2675   80.1464  C     
7    C        19.8772   16.3196   80.0836  C     
8    C        21.7933   16.5819   81.4951  C     
9    C        20.8768   17.3497   80.6775  C     
10   N        21.4020   15.3919   81.8727  N     
11   O        18.8171   15.1053   82.4796  O     
12   O        22.9247   16.9741   81.7577  O     
13   C        14.4778   17.5587   78.2587  C     
14   C        13.7439   18.8803   78.6363  C     
15   C        14.4259   20.0662   78.0816  C     
16   C        15.1321   21.5333   76.6493  C     
17   C        15.3331   22.0173   77.9433  C     
18   C        16.0260   23.5874   75.7276  C     
19   C        15.4668   22.3054   75.5236  C     
20   C        15.9003   23.2842   78.1618  C     
21   C        16.2475   24.0702   77.0391  C     
22   N        14.8825   21.1014   78.8138  N     
23   N        14.5878   20.3254   76.7709  N     
24   S        19.8770   14.9900   81.3028  S     
25   O        19.9364   13.5775   80.5799  O     
26   N        12.3947   18.8337   78.1483  N     
27   S        11.2614   20.0439   78.4762  S     
28   O         9.8112   19.3729   78.5656  O     
29   O        11.5084   20.5476   79.9687  O     
30   C        11.2977   21.3363   77.3115  C     
31   C        11.1657   22.0753   74.9729  C     
32   C        11.0620   21.0614   75.9470  C     
33   C        11.6323   22.6559   77.7019  C     
34   C        11.7634   23.6726   76.7322  C     
35   C        11.5256   23.3872   75.3805  C     
36   O        10.9679   21.7380   73.6589  O     
37   C         9.6634   21.8068   73.2391  C     
38   C         6.9948   21.8659   72.2211  C     
39   C         7.2911   21.2406   73.4648  C     
40   C         8.6098   21.2054   73.9570  C     
41   C         9.3839   22.3904   71.9869  C     
42   C         8.0685   22.4353   71.4887  C     
43   C         5.5965   21.8637   71.7116  C     
44   F         5.4306   22.4858   70.4954  F     
45   F         5.1287   20.5757   71.5665  F     
46   F         4.7887   22.5208   72.6088  F     
47   H        16.8003   17.4488   76.8507  H     
48   H        18.9908   16.9314   77.6072  H     
49   H        17.6140   16.8583   81.5907  H     
50   H        15.4017   17.3427   80.8369  H     
51   H        20.3735   15.8719   79.2166  H     
52   H        21.4075   17.8584   79.8625  H     
53   H        20.3698   18.0972   81.2927  H     
54   H        21.9789   14.7584   82.3328  H     
55   H        14.4567   17.4598   77.1633  H     
56   H        13.8989   16.7242   78.6572  H     
57   H        13.7194   18.9539   79.7294  H     
58   H        16.2769   24.1634   74.9260  H     
59   H        15.2974   21.9524   74.5830  H     
60   H        16.0482   23.6283   79.1137  H     
61   H        16.6664   24.9925   77.1799  H     
62   H        14.3094   19.7492   76.0394  H     
63   H        12.2322   18.3078   77.3448  H     
64   H        10.8319   20.1128   75.6466  H     
65   H        11.8163   22.8839   78.6802  H     
66   H        12.0018   24.6278   77.0197  H     
67   H        11.6423   24.1388   74.6912  H     
68   H         6.5425   20.8020   74.0096  H     
69   H         8.7989   20.7468   74.8507  H     
70   H        10.1393   22.8054   71.4403  H     
71   H         7.9039   22.8754   70.5777  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   13 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    9 1
    10    7   24 1
    11    8    9 1
    12    8   10 1
    13    8   12 2
    14   10   24 1
    15   11   24 2
    16   14   13 1
    17   14   15 1
    18   14   26 1
    19   15   22 2
    20   15   23 1
    21   16   17 2
    22   16   19 1
    23   16   23 1
    24   17   20 1
    25   17   22 1
    26   18   19 2
    27   18   21 1
    28   20   21 2
    29   24   25 2
    30   26   27 1
    31   27   28 2
    32   27   29 2
    33   27   30 1
    34   30   32 2
    35   30   33 1
    36   31   32 1
    37   31   35 2
    38   31   36 1
    39   33   34 2
    40   34   35 1
    41   36   37 1
    42   37   40 1
    43   37   41 2
    44   38   39 1
    45   38   42 2
    46   38   43 1
    47   39   40 2
    48   41   42 1
    49   43   44 1
    50   43   45 1
    51   43   46 1
    52    2   47 1
    53    3   48 1
    54    5   49 1
    55    6   50 1
    56    7   51 1
    57    9   52 1
    58    9   53 1
    59   10   54 1
    60   13   55 1
    61   13   56 1
    62   14   57 1
    63   18   58 1
    64   19   59 1
    65   20   60 1
    66   21   61 1
    67   23   62 1
    68   26   63 1
    69   32   64 1
    70   33   65 1
    71   34   66 1
    72   35   67 1
    73   39   68 1
    74   40   69 1
    75   41   70 1
    76   42   71 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.5679
  Crash		| -2.4090
  Polar		| 5.2275
  FragIndex	| 1
  FragRMSD	| 0.545