@<TRIPOS>MOLECULE
BindingDB_15288
 58 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.5735   13.8880    0.6078  C     
2    O         1.3114   14.4939    1.3726  O     
3    N         0.9046   13.6589   -0.6622  N     
4    N        -0.5597   13.4907    1.1673  N     
5    C         2.0003   14.0148   -1.4124  C     
6    C         3.1052   14.7902   -0.9710  C     
7    C         2.0236   13.5606   -2.7583  C     
8    C         4.1943   15.0974   -1.8149  C     
9    C         3.0758   13.9319   -3.6262  C     
10   C         4.1860   14.6839   -3.1706  C     
11   Cl        5.4553   16.0467   -1.1838  Cl    
12   N        -1.5394   12.1262   -0.5487  N     
13   N        -3.8106   11.8950    0.8694  N     
14   C        -1.5961   12.7607    0.6492  C     
15   C        -3.7421   11.2805   -0.3437  C     
16   C        -2.7859   12.6198    1.3898  C     
17   C        -2.5547   11.4012   -1.0932  C     
18   O        -2.3663   10.7866   -2.3070  O     
19   O         1.0803   12.6501   -3.1989  O     
20   C         1.6359   11.3348   -3.4700  C     
21   C        -1.4887   11.0497   -4.6375  C     
22   C        -2.1739   11.6986   -3.4061  C     
23   C         0.6219   10.1901   -3.2543  C     
24   C        -0.4441    9.9355   -4.3548  C     
25   C        -4.7790   10.6271   -0.7780  C     
26   N        -5.7018   10.0656   -1.1714  N     
27   N         5.2414   14.9029   -4.0123  N     
28   C         5.0509   15.6663   -5.2287  C     
29   C         6.4578   14.1290   -3.8160  C     
30   C         5.8076   17.0226   -5.2524  C     
31   C         6.6271   12.9676   -4.8337  C     
32   O         7.2184   11.8178   -4.2135  O     
33   O         6.5940   17.2592   -4.0805  O     
34   H         0.2430   13.1737   -1.1686  H     
35   H        -0.6874   13.7714    2.0904  H     
36   H         3.1300   15.1531   -0.0207  H     
37   H         3.0566   13.5959   -4.5968  H     
38   H        -2.8962   13.0598    2.3029  H     
39   H         2.0093   11.2993   -4.5005  H     
40   H         2.4758   11.1177   -2.7951  H     
41   H        -2.2645   10.6144   -5.2745  H     
42   H        -1.0051   11.8373   -5.2259  H     
43   H        -3.1553   12.0665   -3.7116  H     
44   H        -1.5639   12.5600   -3.1175  H     
45   H         1.1973    9.2638   -3.1859  H     
46   H         0.1364   10.3302   -2.2873  H     
47   H        -0.9987    9.0340   -4.0666  H     
48   H         0.0745    9.7000   -5.2900  H     
49   H         5.3518   15.0908   -6.0987  H     
50   H         3.9937   15.8893   -5.3690  H     
51   H         7.3305   14.7834   -3.8817  H     
52   H         6.4865   13.6837   -2.8149  H     
53   H         6.4796   17.0624   -6.1238  H     
54   H         5.0869   17.8550   -5.3433  H     
55   H         5.6531   12.6626   -5.2277  H     
56   H         7.2591   13.3058   -5.6659  H     
57   H         7.7509   11.4129   -4.9346  H     
58   H         5.9449   17.4279   -3.3496  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    4 1
     4    3    5 1
     5    4   14 1
     6    5    6 1
     7    5    7 2
     8    6    8 2
     9    7    9 1
    10    7   19 1
    11    8   10 1
    12    8   11 1
    13    9   10 2
    14   10   27 1
    15   12   14 1
    16   12   17 2
    17   13   15 2
    18   13   16 1
    19   14   16 2
    20   15   17 1
    21   15   25 1
    22   17   18 1
    23   18   22 1
    24   19   20 1
    25   20   23 1
    26   21   22 1
    27   21   24 1
    28   23   24 1
    29   25   26 3
    30   27   28 1
    31   27   29 1
    32   28   30 1
    33   29   31 1
    34   30   33 1
    35   31   32 1
    36    3   34 1
    37    4   35 1
    38    6   36 1
    39    9   37 1
    40   16   38 1
    41   20   39 1
    42   20   40 1
    43   21   41 1
    44   21   42 1
    45   22   43 1
    46   22   44 1
    47   23   45 1
    48   23   46 1
    49   24   47 1
    50   24   48 1
    51   28   49 1
    52   28   50 1
    53   29   51 1
    54   29   52 1
    55   30   53 1
    56   30   54 1
    57   31   55 1
    58   31   56 1
    59   32   57 1
    60   33   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.2183
  Crash		| -4.0343
  Polar		| 5.8734
  FragIndex	| 1
  FragRMSD	| 0.632