@<TRIPOS>MOLECULE
BindingDB_31838
 52 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.6379   30.2728   -7.9942  C     
2    C        -5.6232   30.2619   -9.4048  C     
3    C        -4.7420   31.1330  -10.0655  C     
4    C        -3.9668   31.9968   -7.9901  C     
5    N        -4.8098   31.1422   -7.3553  N     
6    N        -3.9510   31.9692   -9.3465  N     
7    N        -6.4932   29.4532   -7.3332  N     
8    C        -6.6775   29.3240   -5.9831  C     
9    C        -5.9206   29.3235   -3.6496  C     
10   C        -5.6475   29.4537   -5.0240  C     
11   C        -7.9716   28.9772   -5.5337  C     
12   C        -8.2500   28.8464   -4.1595  C     
13   C        -7.2347   29.0363   -3.1885  C     
14   N        -3.1173   32.8575   -7.3783  N     
15   C        -2.8524   33.0860   -6.0502  C     
16   C        -3.0196   32.6617   -3.6347  C     
17   C        -3.3999   32.3660   -4.9587  C     
18   C        -1.9750   34.1608   -5.7645  C     
19   C        -1.6010   34.4678   -4.4434  C     
20   C        -2.1128   33.7086   -3.3746  C     
21   O        -1.7418   34.0113   -2.1051  O     
22   F        -6.3897   29.4618  -10.1018  F     
23   C        -7.5115   28.9057   -1.8265  C     
24   O        -6.5911   28.6996   -1.0440  O     
25   N        -8.7443   29.0977   -1.3678  N     
26   C        -9.2093   28.9698   -0.0878  C     
27   C       -10.7404   29.7927    1.6381  C     
28   C       -10.1980   29.8781    0.3440  C     
29   C        -8.8005   27.9448    0.7997  C     
30   C       -10.3102   28.7859    2.5324  C     
31   C        -9.3416   27.8552    2.0965  C     
32   C       -10.8710   28.7347    3.9023  C     
33   H        -4.6932   31.1501  -11.0860  H     
34   H        -7.1167   28.9565   -7.8898  H     
35   H        -5.1484   29.4404   -2.9859  H     
36   H        -4.6788   29.6177   -5.3151  H     
37   H        -8.7322   28.8393   -6.2055  H     
38   H        -9.2041   28.5912   -3.8829  H     
39   H        -2.5727   33.3795   -7.9919  H     
40   H        -3.4193   32.1215   -2.8590  H     
41   H        -4.0992   31.6433   -5.0989  H     
42   H        -1.5992   34.7435   -6.5193  H     
43   H        -0.9538   35.2393   -4.2603  H     
44   H        -1.6838   33.1486   -1.6311  H     
45   H        -9.3841   29.4349   -2.0105  H     
46   H       -11.4571   30.4604    1.9195  H     
47   H       -10.5145   30.6288   -0.2793  H     
48   H        -8.1217   27.2454    0.5017  H     
49   H        -9.0276   27.1044    2.7113  H     
50   H       -10.5835   29.6429    4.4360  H     
51   H       -10.5051   27.8759    4.4669  H     
52   H       -11.9629   28.6793    3.8616  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1    7 1
     4    2    3 1
     5    2   22 1
     6    3    6 2
     7    4    5 2
     8    4    6 1
     9    4   14 1
    10    7    8 1
    11    8   10 2
    12    8   11 1
    13    9   10 1
    14    9   13 2
    15   11   12 2
    16   12   13 1
    17   13   23 1
    18   14   15 1
    19   15   17 2
    20   15   18 1
    21   16   17 1
    22   16   20 2
    23   18   19 2
    24   19   20 1
    25   20   21 1
    26   23   24 2
    27   23   25 am
    28   25   26 1
    29   26   28 2
    30   26   29 1
    31   27   28 1
    32   27   30 2
    33   29   31 2
    34   30   31 1
    35   30   32 1
    36    3   33 1
    37    7   34 1
    38    9   35 1
    39   10   36 1
    40   11   37 1
    41   12   38 1
    42   14   39 1
    43   16   40 1
    44   17   41 1
    45   18   42 1
    46   19   43 1
    47   21   44 1
    48   25   45 1
    49   27   46 1
    50   28   47 1
    51   29   48 1
    52   31   49 1
    53   32   50 1
    54   32   51 1
    55   32   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3980
  Crash		| -0.8246
  Polar		| 1.1435
  FragIndex	| 1
  FragRMSD	| 0.585