@<TRIPOS>MOLECULE
BindingDB_7478
 54 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.3767   28.8181   28.7454  C     
2    C        25.8972   27.7184   27.2481  C     
3    N        24.7467   27.7586   27.9712  N     
4    N        26.7372   28.7867   27.2991  N     
5    N        26.0840   26.6204   26.4813  N     
6    C        27.1730   26.2716   25.6054  C     
7    C        26.6357   25.2231   24.5677  C     
8    C        27.9599   27.4663   24.9476  C     
9    C        29.1307   27.0222   24.0176  C     
10   C        27.0334   28.4872   24.2395  C     
11   O        25.2088   25.0686   24.5699  O     
12   N        23.2593   28.8219   29.5051  N     
13   C        22.3634   27.8060   29.6732  C     
14   C        21.7958   27.6549   30.9539  C     
15   C        20.8996   26.6030   31.2235  C     
16   C        20.5242   25.6832   30.2141  C     
17   C        21.0266   25.8952   28.8983  C     
18   C        21.9308   26.9476   28.6405  C     
19   Cl       20.5674   24.9643   27.5508  Cl    
20   C        19.6792   24.5882   30.5626  C     
21   O        19.6430   23.4516   29.8318  O     
22   O        19.0405   24.5178   31.7514  O     
23   C        25.2452   29.9238   28.7734  C     
24   C        26.4261   29.8793   28.0394  C     
25   C        26.3013   31.7697   29.0707  C     
26   N        25.1857   31.1006   29.4105  N     
27   N        27.0711   31.0474   28.2303  N     
28   C        29.5154   30.5992   28.1003  C     
29   C        28.3202   31.4817   27.6462  C     
30   C        28.2214   31.5564   26.0997  C     
31   H        25.3682   25.9666   26.5336  H     
32   H        27.8908   25.7481   26.2432  H     
33   H        26.9157   25.4835   23.5404  H     
34   H        27.0725   24.2346   24.7850  H     
35   H        28.4604   28.0059   25.7528  H     
36   H        29.6647   26.1690   24.4408  H     
37   H        29.8464   27.8338   23.8997  H     
38   H        28.7755   26.7545   23.0243  H     
39   H        26.4982   27.9981   23.4274  H     
40   H        27.6169   29.3217   23.8371  H     
41   H        26.2997   28.8954   24.9366  H     
42   H        24.8526   25.7721   23.9768  H     
43   H        23.1265   29.5920   30.0775  H     
44   H        22.0675   28.2783   31.7149  H     
45   H        20.5497   26.5074   32.1826  H     
46   H        22.2674   27.0949   27.6871  H     
47   H        26.5209   32.7073   29.4011  H     
48   H        29.6147   30.6347   29.1839  H     
49   H        30.4479   30.9608   27.6587  H     
50   H        29.3674   29.5575   27.8063  H     
51   H        28.5447   32.4953   27.9873  H     
52   H        28.1002   30.5646   25.6637  H     
53   H        29.1275   32.0049   25.6888  H     
54   H        27.3655   32.1748   25.8064  H     
@<TRIPOS>BOND
     1    1    3 2
     2    1   12 1
     3    1   23 1
     4    2    3 1
     5    2    4 2
     6    2    5 1
     7    4   24 1
     8    5    6 1
     9    6    7 1
    10    6    8 1
    11    7   11 1
    12    8    9 1
    13    8   10 1
    14   12   13 1
    15   13   14 2
    16   13   18 1
    17   14   15 1
    18   15   16 2
    19   16   17 1
    20   16   20 1
    21   17   18 2
    22   17   19 1
    23   20   21 2
    24   20   22 1
    25   23   24 2
    26   23   26 1
    27   24   27 1
    28   25   26 2
    29   25   27 1
    30   27   29 1
    31   28   29 1
    32   29   30 1
    33    5   31 1
    34    6   32 1
    35    7   33 1
    36    7   34 1
    37    8   35 1
    38    9   36 1
    39    9   37 1
    40    9   38 1
    41   10   39 1
    42   10   40 1
    43   10   41 1
    44   11   42 1
    45   12   43 1
    46   14   44 1
    47   15   45 1
    48   18   46 1
    49   25   47 1
    50   28   48 1
    51   28   49 1
    52   28   50 1
    53   29   51 1
    54   30   52 1
    55   30   53 1
    56   30   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.9882
  Crash		| -1.1025
  Polar		| 4.5610
  FragIndex	| 1
  FragRMSD	| 0.120