@<TRIPOS>MOLECULE
BindingDB_14148
 45 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         9.0525    1.6702   25.6229  C     
2    C         8.8431    0.5077   24.8220  C     
3    C         8.9505    0.6480   23.4002  C     
4    C         9.2225    1.8918   22.8011  C     
5    C         9.3225    2.9064   25.0083  C     
6    C         9.4044    3.0110   23.6250  C     
7    C         9.7069    5.0009   24.4944  C     
8    N         9.6350    4.3012   23.3362  N     
9    C         8.5262   -0.7400   25.4451  C     
10   N         8.1506   -0.8536   26.7371  N     
11   N         8.5529   -1.9196   24.7882  N     
12   C         9.9383    6.4060   24.6214  C     
13   C        10.3151    9.2132   24.9415  C     
14   C        10.5934    8.6136   23.6953  C     
15   C        10.3920    7.2181   23.5353  C     
16   C         9.6805    7.0485   25.8618  C     
17   C         9.8734    8.4345   26.0234  C     
18   O        10.6827    6.6961   22.3159  O     
19   F         8.7409   -0.3372   22.5710  F     
20   N         9.5212    4.1305   25.5207  N     
21   O        11.0873    9.4012   22.6734  O     
22   C        10.0714   10.1622   21.9835  C     
23   C        10.6965   11.0333   20.8771  C     
24   C        11.0332   12.4586   21.3850  C     
25   C        11.9479   10.3727   20.2244  C     
26   H         9.0028    1.6436   26.6386  H     
27   H         9.2754    1.9993   21.7860  H     
28   H         9.7124    4.6487   22.4368  H     
29   H         7.9450   -1.7357   27.0931  H     
30   H         8.3324   -2.7472   25.2556  H     
31   H         8.8004   -1.9528   23.8525  H     
32   H        10.4681   10.2057   25.0837  H     
33   H         9.3401    6.5037   26.6713  H     
34   H         9.6785    8.8667   26.9347  H     
35   H        11.6182    6.4031   22.3728  H     
36   H         9.3336    9.4744   21.5400  H     
37   H         9.5377   10.8156   22.6928  H     
38   H         9.9481   11.1434   20.0817  H     
39   H        10.1403   12.9347   21.7936  H     
40   H        11.3992   13.0850   20.5706  H     
41   H        11.7976   12.4192   22.1674  H     
42   H        12.7816   10.3357   20.9266  H     
43   H        12.2592   10.9487   19.3454  H     
44   H        11.7284    9.3610   19.8848  H     
45   H         8.0445   -0.0716   27.3058  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   19 1
     7    4    6 1
     8    5    6 2
     9    5   20 1
    10    6    8 1
    11    7    8 1
    12    7   12 1
    13    7   20 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   22 1
    25   22   23 1
    26   23   24 1
    27   23   25 1
    28    1   26 1
    29    4   27 1
    30    8   28 1
    31   10   29 1
    32   11   30 1
    33   11   31 1
    34   13   32 1
    35   16   33 1
    36   17   34 1
    37   18   35 1
    38   22   36 1
    39   22   37 1
    40   23   38 1
    41   24   39 1
    42   24   40 1
    43   24   41 1
    44   25   42 1
    45   25   43 1
    46   25   44 1
    47   10   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8807
  Crash		| -1.0472
  Polar		| 4.6598
  FragIndex	| 1
  FragRMSD	| 0.778