@<TRIPOS>MOLECULE
BindingDB_14150
 43 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.9476    1.7866   25.6619  C     
2    C         8.7307    0.6431   24.8286  C     
3    C         8.8221    0.8315   23.4146  C     
4    C         9.1085    2.0969   22.8511  C     
5    C         9.2056    3.0427   25.0846  C     
6    C         9.2748    3.1969   23.7072  C     
7    C         9.5914    5.2142   24.5747  C     
8    N         9.4891    4.4890   23.4334  N     
9    C         8.4190   -0.6240   25.4205  C     
10   N         8.5950   -1.7999   24.7851  N     
11   N         7.9427   -0.7566   26.6772  N     
12   C         9.7886    6.6373   24.6476  C     
13   C        10.1316    9.4583   24.8507  C     
14   C        10.3247    8.8368   23.5935  C     
15   C        10.1455    7.4280   23.5111  C     
16   C         9.6053    7.3172   25.8809  C     
17   C         9.7737    8.7075   25.9803  C     
18   O        10.3153    6.8378   22.3041  O     
19   C         9.4198    4.3037   25.6342  C     
20   F         8.5855   -0.1294   22.5567  F     
21   C        10.6576    9.6389   22.4544  C     
22   C        12.0360   10.0770   20.4637  C     
23   C        11.2799   11.2263   20.1776  C     
24   C        10.2162   11.5918   21.0240  C     
25   C         9.9039   10.8014   22.1498  C     
26   C        11.7354    9.2959   21.5986  C     
27   H         8.9012    1.7254   26.6807  H     
28   H         9.1461    2.2279   21.8382  H     
29   H         9.5384    4.8409   22.5324  H     
30   H         8.3844   -2.6337   25.2411  H     
31   H         7.7478   -1.6488   27.0165  H     
32   H         7.7478    0.0161   27.2325  H     
33   H        10.2554   10.4718   24.9581  H     
34   H         9.3316    6.8128   26.7292  H     
35   H         9.6357    9.1736   26.8766  H     
36   H        11.2008    6.4142   22.3595  H     
37   H         9.4393    4.4987   26.6342  H     
38   H        12.8062    9.8056   19.8495  H     
39   H        11.4974   11.7908   19.3523  H     
40   H         9.6709   12.4324   20.8233  H     
41   H         9.1126   11.0800   22.7339  H     
42   H        12.3286    8.4857   21.8000  H     
43   H         8.9539   -1.8323   23.8869  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    9 1
     5    3    4 2
     6    3   20 1
     7    4    6 1
     8    5    6 2
     9    5   19 1
    10    6    8 1
    11    7    8 1
    12    7   12 1
    13    7   19 2
    14    9   10 2
    15    9   11 1
    16   12   15 2
    17   12   16 1
    18   13   14 2
    19   13   17 1
    20   14   15 1
    21   14   21 1
    22   15   18 1
    23   16   17 2
    24   21   25 2
    25   21   26 1
    26   22   23 1
    27   22   26 2
    28   23   24 2
    29   24   25 1
    30    1   27 1
    31    4   28 1
    32    8   29 1
    33   10   30 1
    34   11   31 1
    35   11   32 1
    36   13   33 1
    37   16   34 1
    38   17   35 1
    39   18   36 1
    40   19   37 1
    41   22   38 1
    42   23   39 1
    43   24   40 1
    44   25   41 1
    45   26   42 1
    46   10   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9058
  Crash		| -0.9273
  Polar		| 4.6919
  FragIndex	| 1
  FragRMSD	| 0.601