@<TRIPOS>MOLECULE
BindingDB_50224903
 52 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         3.9871   15.1697   -2.1512  C     
2    C         3.9057   14.6304   -3.4579  C     
3    C         2.8146   13.8150   -3.8043  C     
4    C         1.7768   13.5248   -2.8819  C     
5    C         1.8571   14.0694   -1.5670  C     
6    C         2.9618   14.8925   -1.2267  C     
7    N         0.8162   13.7779   -0.7134  N     
8    C         0.6099   13.9908    0.5855  C     
9    N        -0.4836   13.5995    1.2371  N     
10   O         1.4367   14.5501    1.2914  O     
11   C        -1.5497   12.8865    0.7898  C     
12   N        -1.6395   12.4235   -0.4817  N     
13   C        -2.6645   11.6885   -0.9757  C     
14   C        -3.7482   11.4199   -0.1134  C     
15   N        -3.6801   11.8726    1.1682  N     
16   C        -2.6233   12.5805    1.6517  C     
17   C        -4.8040   10.7777   -0.5174  C     
18   N        -5.7348   10.2203   -0.8937  N     
19   O        -2.6274   11.3102   -2.2902  O     
20   O         0.6606   12.7545   -3.2045  O     
21   C         0.3834   12.3616   -4.5704  C     
22   C        -1.5438   10.4144   -2.6199  C     
23   C        -1.0410   11.7861   -4.7834  C     
24   C        -1.3379   10.3941   -4.1515  C     
25   Cl        5.2668   16.1889   -1.6778  Cl    
26   N         4.7930   14.9521   -4.4455  N     
27   C         6.1185   14.8786   -4.3769  C     
28   C         6.9428   15.4833   -5.3409  C     
29   O         6.6096   14.3289   -3.3921  O     
30   C         6.5390   16.6461   -6.0607  C     
31   C         7.4173   17.2567   -6.9755  C     
32   N         8.6585   16.7374   -7.1644  N     
33   C         9.0974   15.6318   -6.5076  C     
34   C         8.2547   14.9837   -5.5873  C     
35   H         2.7837   13.4328   -4.7527  H     
36   H         3.0231   15.3365   -0.3092  H     
37   H         0.0955   13.3158   -1.1536  H     
38   H        -0.5173   13.8450    2.1767  H     
39   H        -2.6231   12.8863    2.6274  H     
40   H         0.4635   13.2443   -5.2144  H     
41   H         1.1225   11.6219   -4.8950  H     
42   H        -0.5983   10.7015   -2.1530  H     
43   H        -1.7970    9.4069   -2.2786  H     
44   H        -1.7695   12.5229   -4.4310  H     
45   H        -1.1933   11.6877   -5.8646  H     
46   H        -0.5265    9.7040   -4.3971  H     
47   H        -2.2498    9.9985   -4.6062  H     
48   H         4.4022   15.2741   -5.2722  H     
49   H         5.6138   17.0685   -5.9337  H     
50   H         7.1305   18.0942   -7.4908  H     
51   H        10.0459   15.2811   -6.6780  H     
52   H         8.6200   14.1581   -5.0968  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   25 1
     4    2    3 1
     5    2   26 1
     6    3    4 2
     7    4    5 1
     8    4   20 1
     9    5    6 2
    10    5    7 1
    11    7    8 1
    12    8    9 1
    13    8   10 2
    14    9   11 1
    15   11   12 2
    16   11   16 1
    17   12   13 1
    18   13   14 2
    19   13   19 1
    20   14   15 1
    21   14   17 1
    22   15   16 2
    23   17   18 3
    24   19   22 1
    25   20   21 1
    26   21   23 1
    27   22   24 1
    28   23   24 1
    29   26   27 am
    30   27   28 1
    31   27   29 2
    32   28   30 2
    33   28   34 1
    34   30   31 1
    35   31   32 2
    36   32   33 1
    37   33   34 2
    38    3   35 1
    39    6   36 1
    40    7   37 1
    41    9   38 1
    42   16   39 1
    43   21   40 1
    44   21   41 1
    45   22   42 1
    46   22   43 1
    47   23   44 1
    48   23   45 1
    49   24   46 1
    50   24   47 1
    51   26   48 1
    52   30   49 1
    53   31   50 1
    54   33   51 1
    55   34   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3612
  Crash		| -1.0046
  Polar		| 3.5436
  FragIndex	| 1
  FragRMSD	| 0.723