@<TRIPOS>MOLECULE
BindingDB_19702
 67 70 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -19.7839    1.0543   29.5669  C     
2    C       -19.7918   -0.1675   30.3033  C     
3    C       -20.0191   -0.0947   31.7084  C     
4    C       -20.2578    1.1307   32.3408  C     
5    C       -20.3023    2.3360   31.5833  C     
6    C       -20.0740    2.2688   30.1891  C     
7    O       -20.6160    3.5084   32.1995  O     
8    C       -19.5051    4.2846   32.6781  C     
9    F       -20.0380    5.3724   33.3188  F     
10   F       -18.7196    3.6073   33.5896  F     
11   F       -18.7003    4.7679   31.6682  F     
12   N       -19.6352   -1.3046   29.5971  N     
13   C       -20.5954   -2.3586   29.6022  C     
14   C       -20.2710   -3.6423   30.4189  C     
15   N       -20.8707   -3.9002   31.6971  N     
16   C       -21.6638   -3.1931   32.4990  C     
17   C       -21.9488   -3.6760   33.8431  C     
18   O       -22.2318   -2.1751   32.1021  O     
19   N       -22.3793   -5.0427   33.7188  N     
20   C       -23.6301   -5.4716   33.7689  C     
21   O       -24.5881   -4.7210   33.9249  O     
22   C       -20.7697   -3.5026   34.8606  C     
23   C       -19.4748   -4.3755   34.7003  C     
24   C       -18.1791   -3.6114   35.1112  C     
25   C       -18.0524   -3.4306   36.6446  C     
26   C       -18.0882   -4.8053   37.3665  C     
27   C       -19.3485   -5.6233   36.9994  C     
28   C       -19.5237   -5.7431   35.4544  C     
29   C       -23.8532   -6.8165   33.5605  C     
30   C       -25.0530   -7.3995   33.1259  C     
31   O       -22.9273   -7.7909   33.7720  O     
32   C       -24.8442   -8.7607   33.1131  C     
33   C       -23.5252   -8.9769   33.5239  C     
34   C       -25.1959  -11.1353   32.9140  C     
35   C       -23.8700  -11.3631   33.3467  C     
36   C       -23.0199  -10.2784   33.6463  C     
37   C       -25.6904   -9.8268   32.7781  C     
38   H       -19.6354    1.0306   28.5513  H     
39   H       -19.9819   -0.9560   32.2693  H     
40   H       -20.4373    1.1610   33.3549  H     
41   H       -20.1203    3.1307   29.6331  H     
42   H       -19.1381   -1.2133   28.7828  H     
43   H       -21.5646   -1.9318   29.8705  H     
44   H       -20.6958   -2.6554   28.5523  H     
45   H       -20.5511   -4.4982   29.8048  H     
46   H       -19.1954   -3.6945   30.5518  H     
47   H       -20.6846   -4.8102   32.0098  H     
48   H       -22.7723   -3.0776   34.2430  H     
49   H       -21.7051   -5.6815   33.4536  H     
50   H       -20.5040   -2.4390   34.8432  H     
51   H       -21.1826   -3.6859   35.8597  H     
52   H       -19.3571   -4.6156   33.6435  H     
53   H       -17.3104   -4.1653   34.7540  H     
54   H       -18.1473   -2.6303   34.6254  H     
55   H       -17.1074   -2.9276   36.8762  H     
56   H       -18.8712   -2.8080   37.0122  H     
57   H       -17.1959   -5.3776   37.0860  H     
58   H       -18.0538   -4.6461   38.4526  H     
59   H       -19.2594   -6.6295   37.4318  H     
60   H       -20.2300   -5.1489   37.4415  H     
61   H       -20.4575   -6.2689   35.2474  H     
62   H       -18.7164   -6.3763   35.0807  H     
63   H       -25.9133   -6.9030   32.8788  H     
64   H       -25.7977  -11.9230   32.6852  H     
65   H       -23.5302  -12.3210   33.4514  H     
66   H       -22.0619  -10.4287   33.9555  H     
67   H       -26.6519   -9.6515   32.4592  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   12 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5    7 1
     9    7    8 1
    10    8    9 1
    11    8   10 1
    12    8   11 1
    13   12   13 1
    14   13   14 1
    15   14   15 1
    16   15   16 am
    17   16   17 1
    18   16   18 2
    19   17   19 1
    20   17   22 1
    21   19   20 am
    22   20   21 2
    23   20   29 1
    24   22   23 1
    25   23   24 1
    26   23   28 1
    27   24   25 1
    28   25   26 1
    29   26   27 1
    30   27   28 1
    31   29   30 2
    32   29   31 1
    33   30   32 1
    34   31   33 1
    35   32   33 2
    36   32   37 1
    37   33   36 1
    38   34   35 1
    39   34   37 2
    40   35   36 2
    41    1   38 1
    42    3   39 1
    43    4   40 1
    44    6   41 1
    45   12   42 1
    46   13   43 1
    47   13   44 1
    48   14   45 1
    49   14   46 1
    50   15   47 1
    51   17   48 1
    52   19   49 1
    53   22   50 1
    54   22   51 1
    55   23   52 1
    56   24   53 1
    57   24   54 1
    58   25   55 1
    59   25   56 1
    60   26   57 1
    61   26   58 1
    62   27   59 1
    63   27   60 1
    64   28   61 1
    65   28   62 1
    66   30   63 1
    67   34   64 1
    68   35   65 1
    69   36   66 1
    70   37   67 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8894
  Crash		| -2.6757
  Polar		| 2.8098
  FragIndex	| 1
  FragRMSD	| 1.165