@<TRIPOS>MOLECULE
BindingDB_14289
 59 64 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -0.5198   12.2218   43.5439  C     
2    C        -0.2837   10.8479   43.3228  C     
3    C        -0.1855   11.9232   45.9491  C     
4    C         0.0543   10.5616   45.7130  C     
5    C        -0.0049   10.0277   44.4286  C     
6    C         0.5656    8.4698   45.8281  C     
7    N         0.2861    8.7279   44.5309  N     
8    N         0.4165    9.5917   46.5641  N     
9    C         1.0632    7.1992   46.3890  C     
10   C         2.5821    6.9737   46.1113  C     
11   C         3.5067    8.0336   46.5977  C     
12   C         4.2600    8.7846   45.6653  C     
13   C         3.6953    8.2860   47.9791  C     
14   C         4.6241    9.2500   48.4154  C     
15   C         5.4172    9.9630   47.4840  C     
16   C         5.1904    9.7377   46.1066  C     
17   C         6.5042   10.8904   47.9084  C     
18   C         6.1031   12.2861   48.4491  C     
19   S         7.6031   10.2485   49.1839  S     
20   O         8.8177    9.4952   48.4787  O     
21   O         6.9453    9.6266   50.4887  O     
22   N         8.0745   11.7979   49.6130  N     
23   C         7.2467   12.7346   49.2137  C     
24   O         7.5260   13.9136   49.3598  O     
25   N         0.3331    6.0983   45.8266  N     
26   C        -0.7030    5.4531   46.4111  C     
27   C        -2.5492    4.4348   47.8185  C     
28   C        -2.1118    3.6764   46.7199  C     
29   C        -3.5377    3.9695   48.7026  C     
30   C        -4.0930    2.6925   48.4734  C     
31   C        -3.6579    1.9125   47.3782  C     
32   N        -1.1313    4.2500   45.9736  N     
33   S        -1.6168    5.8752   47.8191  S     
34   C        -2.6655    2.4018   46.5013  C     
35   C        -0.4826   12.7843   44.8531  C     
36   C        -0.7232   14.2443   45.0432  C     
37   F        -0.8186   14.6368   46.3590  F     
38   F         0.3164   14.9506   44.4892  F     
39   F        -1.8953   14.6376   44.4336  F     
40   H        -0.7205   12.8181   42.7352  H     
41   H        -0.3080   10.4563   42.3786  H     
42   H        -0.1214   12.2793   46.9059  H     
43   H         0.3059    8.0836   43.8007  H     
44   H         0.9356    7.2336   47.4769  H     
45   H         2.8782    6.0524   46.6113  H     
46   H         2.7254    6.7995   45.0338  H     
47   H         4.1431    8.6355   44.6598  H     
48   H         3.1700    7.7510   48.6795  H     
49   H         4.7452    9.4051   49.4185  H     
50   H         5.7218   10.2510   45.4017  H     
51   H         7.1664   11.0748   47.0568  H     
52   H         5.8942   12.9666   47.6213  H     
53   H         5.2284   12.2392   49.1037  H     
54   H         8.9164   11.9913   50.0541  H     
55   H         0.7053    5.6968   45.0172  H     
56   H        -3.8253    4.5294   49.5085  H     
57   H        -4.8077    2.3273   49.1093  H     
58   H        -4.0556    0.9834   47.2291  H     
59   H        -2.3377    1.8225   45.7280  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   35 2
     3    2    5 2
     4    3    4 2
     5    3   35 1
     6    4    5 1
     7    4    8 1
     8    5    7 1
     9    6    7 1
    10    6    8 2
    11    6    9 1
    12    9   10 1
    13    9   25 1
    14   10   11 1
    15   11   12 1
    16   11   13 2
    17   12   16 2
    18   13   14 1
    19   14   15 2
    20   15   16 1
    21   15   17 1
    22   17   18 1
    23   17   19 1
    24   18   23 1
    25   19   20 2
    26   19   21 2
    27   19   22 1
    28   22   23 1
    29   23   24 2
    30   25   26 1
    31   26   32 2
    32   26   33 1
    33   27   28 2
    34   27   29 1
    35   27   33 1
    36   28   32 1
    37   28   34 1
    38   29   30 2
    39   30   31 1
    40   31   34 2
    41   35   36 1
    42   36   37 1
    43   36   38 1
    44   36   39 1
    45    1   40 1
    46    2   41 1
    47    3   42 1
    48    7   43 1
    49    9   44 1
    50   10   45 1
    51   10   46 1
    52   12   47 1
    53   13   48 1
    54   14   49 1
    55   16   50 1
    56   17   51 1
    57   18   52 1
    58   18   53 1
    59   22   54 1
    60   25   55 1
    61   29   56 1
    62   30   57 1
    63   31   58 1
    64   34   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.3321
  Crash		| -2.7112
  Polar		| 5.6286
  FragIndex	| 1
  FragRMSD	| 0.565