@<TRIPOS>MOLECULE
BindingDB_13489
 52 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.5777   -3.6784   -4.0826  C     
2    C        16.7114   -2.3067   -3.7680  C     
3    C        16.6969   -1.8750   -2.4254  C     
4    C        16.5339   -2.8069   -1.3689  C     
5    C        16.4621   -4.1781   -1.6948  C     
6    C        16.4720   -4.6122   -3.0295  C     
7    C        16.3382   -2.3814    0.0473  C     
8    C        16.9403   -0.9533    1.8628  C     
9    C        17.5327   -1.7604    0.8163  C     
10   N        15.6801   -0.6127    1.7030  N     
11   O        15.0054   -0.0141   -0.8317  O     
12   O        17.5392   -0.6573    2.8899  O     
13   C        16.5767   -4.1334   -5.4976  C     
14   C        17.9732   -4.0502   -6.1782  C     
15   C        18.9977   -4.7584   -5.3782  C     
16   C        19.9693   -6.3518   -4.2645  C     
17   C        20.5163   -5.1302   -3.8879  C     
18   C        21.3846   -7.5026   -2.6737  C     
19   C        20.3922   -7.5588   -3.6778  C     
20   C        21.5155   -5.0646   -2.8933  C     
21   C        21.9467   -6.2645   -2.2858  C     
22   N        19.9050   -4.1561   -4.5788  N     
23   N        19.0449   -6.0913   -5.1934  N     
24   N        17.8671   -4.6407   -7.4831  N     
25   S        15.0239   -1.1687    0.2624  S     
26   O        13.6560   -1.9452    0.5001  O     
27   C        18.1377   -4.0699   -8.6584  C     
28   O        18.5356   -2.9132   -8.7124  O     
29   C        17.9523   -4.8353   -9.8872  C     
30   C        18.8070   -6.1293   -9.8880  C     
31   F        16.6193   -5.1576  -10.0237  F     
32   F        18.2883   -4.1043  -11.0071  F     
33   H        16.8011   -1.6082   -4.5130  H     
34   H        16.7675   -0.8744   -2.2268  H     
35   H        16.3683   -4.8816   -0.9584  H     
36   H        16.4026   -5.6125   -3.2282  H     
37   H        16.0164   -3.2339    0.6485  H     
38   H        18.1741   -2.5448    1.2378  H     
39   H        18.1390   -1.1238    0.1716  H     
40   H        15.1519   -0.1437    2.3770  H     
41   H        16.2060   -5.1636   -5.5669  H     
42   H        15.8747   -3.5120   -6.0569  H     
43   H        18.2596   -2.9930   -6.2356  H     
44   H        21.6965   -8.3695   -2.2239  H     
45   H        19.9785   -8.4474   -3.9596  H     
46   H        21.9141   -4.1673   -2.6076  H     
47   H        22.6639   -6.2418   -1.5561  H     
48   H        18.4744   -6.7399   -5.6274  H     
49   H        17.5018   -5.5363   -7.5045  H     
50   H        19.8626   -5.8864   -9.7663  H     
51   H        18.6840   -6.6652  -10.8318  H     
52   H        18.5028   -6.7932   -9.0773  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   25 1
    11    8    9 1
    12    8   10 1
    13    8   12 2
    14   10   25 1
    15   11   25 2
    16   14   13 1
    17   14   15 1
    18   14   24 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   27 am
    30   25   26 2
    31   27   28 2
    32   27   29 1
    33   29   30 1
    34   29   31 1
    35   29   32 1
    36    2   33 1
    37    3   34 1
    38    5   35 1
    39    6   36 1
    40    7   37 1
    41    9   38 1
    42    9   39 1
    43   10   40 1
    44   13   41 1
    45   13   42 1
    46   14   43 1
    47   18   44 1
    48   19   45 1
    49   20   46 1
    50   21   47 1
    51   23   48 1
    52   24   49 1
    53   30   50 1
    54   30   51 1
    55   30   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7172
  Crash		| -2.8372
  Polar		| 5.5191
  FragIndex	| 1
  FragRMSD	| 0.630