@<TRIPOS>MOLECULE
BindingDB_50200392
 48 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        -4.9087   31.2456   -7.3701  N     
2    C        -3.9948   31.9763   -8.0616  C     
3    C        -7.8408   26.6363   -3.5675  C     
4    C        -0.1441   35.5853   -3.0507  C     
5    C         0.5613   36.8315   -2.8886  C     
6    C        -5.8032   30.3996   -7.9448  C     
7    N        -0.9533   35.4387   -4.1059  N     
8    C        -0.1760   38.1265   -3.2627  C     
9    C         0.1098   37.8122   -1.7904  C     
10   C        -7.3692   27.9810   -4.0087  C     
11   N        -3.1022   32.8138   -7.4792  N     
12   N        -3.9873   31.8620   -9.4205  N     
13   N        -6.6679   29.6444   -7.2224  N     
14   C        -1.6922   34.3297   -4.4136  C     
15   C        -5.7776   30.2771   -9.3463  C     
16   C        -7.2452   28.2632   -5.3917  C     
17   O         0.1988   34.6219   -2.3628  O     
18   C        -2.0183   34.0865   -5.7664  C     
19   C        -2.8498   33.0017   -6.1406  C     
20   C        -6.7825   29.5135   -5.8682  C     
21   F        -7.9786   26.4963   -2.2067  F     
22   F        -9.0687   26.3591   -4.1176  F     
23   F        -6.9554   25.6730   -3.9844  F     
24   C        -4.8416   31.0271  -10.0720  C     
25   C        -7.0336   29.0088   -3.0910  C     
26   C        -6.6082   30.2672   -3.5467  C     
27   C        -3.0144   32.3818   -3.7636  C     
28   C        -2.2115   33.4771   -3.4132  C     
29   C        -3.3337   32.1542   -5.1117  C     
30   C        -6.4868   30.5252   -4.9194  C     
31   H         1.6323   36.8428   -3.0896  H     
32   H        -0.9882   36.1948   -4.7276  H     
33   H         0.4259   38.9244   -3.6861  H     
34   H        -1.2257   38.0283   -3.5619  H     
35   H        -0.7767   37.5371   -1.2028  H     
36   H         0.8958   38.4057   -1.3267  H     
37   H        -2.5728   33.3613   -8.0875  H     
38   H        -7.2084   29.0359   -7.7518  H     
39   H        -6.4203   29.6444   -9.8298  H     
40   H        -7.4843   27.5296   -6.0694  H     
41   H        -1.5993   34.6851   -6.4801  H     
42   H        -4.7993   30.9593  -11.0918  H     
43   H        -7.0945   28.8465   -2.0788  H     
44   H        -6.3902   31.0037   -2.8710  H     
45   H        -3.3754   31.7509   -3.0469  H     
46   H        -1.9821   33.6225   -2.4268  H     
47   H        -3.8852   31.3292   -5.3409  H     
48   H        -6.2028   31.4526   -5.2150  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2   11 1
     4    2   12 1
     5    3   10 1
     6    3   21 1
     7    3   22 1
     8    3   23 1
     9    4    5 1
    10    4    7 am
    11    4   17 2
    12    5    8 1
    13    5    9 1
    14    6   13 1
    15    6   15 2
    16    7   14 1
    17    8    9 1
    18   10   16 2
    19   10   25 1
    20   11   19 1
    21   12   24 2
    22   13   20 1
    23   14   18 2
    24   14   28 1
    25   15   24 1
    26   16   20 1
    27   18   19 1
    28   19   29 2
    29   20   30 2
    30   25   26 2
    31   26   30 1
    32   27   28 2
    33   27   29 1
    34    5   31 1
    35    7   32 1
    36    8   33 1
    37    8   34 1
    38    9   35 1
    39    9   36 1
    40   11   37 1
    41   13   38 1
    42   15   39 1
    43   16   40 1
    44   18   41 1
    45   24   42 1
    46   25   43 1
    47   26   44 1
    48   27   45 1
    49   28   46 1
    50   29   47 1
    51   30   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1668
  Crash		| -0.9625
  Polar		| 3.4444
  FragIndex	| 1
  FragRMSD	| 0.254