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


@<TRIPOS>ATOM
1    C        17.0722   -3.1854   -4.5138  C     
2    C        16.1839   -4.0015   -3.7802  C     
3    C        16.0043   -3.8149   -2.3995  C     
4    C        16.6951   -2.7974   -1.7012  C     
5    C        17.5511   -1.9502   -2.4463  C     
6    C        17.7419   -2.1475   -3.8292  C     
7    C        16.4562   -2.6134   -0.2364  C     
8    C        17.0666   -1.5317    1.8107  C     
9    C        17.6498   -2.2295    0.6814  C     
10   N        15.8420   -1.0860    1.6611  N     
11   O        15.3084   -0.0976   -0.7892  O     
12   O        17.6679   -1.3662    2.8628  O     
13   C        17.2630   -3.4394   -5.9699  C     
14   C        18.5190   -4.2848   -6.3629  C     
15   C        18.9681   -5.2043   -5.2931  C     
16   C        19.0452   -6.9029   -3.9385  C     
17   C        19.9591   -5.9381   -3.5183  C     
18   C        19.6345   -8.3029   -2.0555  C     
19   C        18.8713   -8.1021   -3.2256  C     
20   C        20.7351   -6.1334   -2.3635  C     
21   C        20.5603   -7.3254   -1.6250  C     
22   N        19.9065   -4.9027   -4.3687  N     
23   N        18.4579   -6.4216   -5.0357  N     
24   N        18.2411   -5.0422   -7.5612  N     
25   S        15.1921   -1.3868    0.1451  S     
26   O        13.8013   -2.1588    0.2160  O     
27   C        18.5771   -4.7238   -8.8056  C     
28   O        19.1250   -3.6518   -9.0490  O     
29   C        18.2423   -5.6247   -9.9109  C     
30   C        16.8762   -5.2890  -10.5548  C     
31   F        19.2103   -5.5806  -10.8881  F     
32   F        18.2189   -6.9304   -9.4746  F     
33   H        15.6760   -4.7632   -4.2462  H     
34   H        15.3432   -4.4167   -1.9128  H     
35   H        18.0367   -1.1768   -1.9909  H     
36   H        18.3868   -1.5334   -4.3353  H     
37   H        16.0549   -3.5488    0.1723  H     
38   H        18.1743   -3.1320    1.0147  H     
39   H        18.3705   -1.5633    0.1962  H     
40   H        15.3374   -0.6718    2.3788  H     
41   H        16.3648   -3.9312   -6.3574  H     
42   H        17.3284   -2.4784   -6.4892  H     
43   H        19.3473   -3.5854   -6.5387  H     
44   H        19.5049   -9.1555   -1.5003  H     
45   H        18.2046   -8.8077   -3.5426  H     
46   H        21.4107   -5.4284   -2.0688  H     
47   H        21.0941   -7.4689   -0.7663  H     
48   H        17.7719   -6.8714   -5.5470  H     
49   H        17.7308   -5.8567   -7.4432  H     
50   H        16.0720   -5.3895   -9.8277  H     
51   H        16.6815   -5.9756  -11.3789  H     
52   H        16.8686   -4.2694  -10.9503  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	| 8.9346
  Crash		| -2.2729
  Polar		| 5.3090
  FragIndex	| 1
  FragRMSD	| 0.825