@<TRIPOS>MOLECULE
BindingDB_32378
 61 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.2180   38.3288   15.6754  C     
2    C        23.8079   38.3865   18.0253  C     
3    N        24.5444   38.7331   16.9323  N     
4    N        22.7080   37.5942   17.8774  N     
5    N        24.9654   38.7125   14.6266  N     
6    C        23.0802   37.5205   15.5212  C     
7    C        22.3365   37.1727   16.6441  C     
8    C        21.4431   36.2763   14.8950  C     
9    N        22.5263   36.9535   14.4543  N     
10   N        21.3251   36.3852   16.2446  N     
11   C        20.4063   35.6758   17.0983  C     
12   C        19.1652   33.7226   17.1400  C     
13   C        18.8003   32.5013   16.2477  C     
14   C        18.9475   36.1701   16.9912  C     
15   C        18.1129   34.8737   17.1059  C     
16   O        18.6549   37.1444   17.9930  O     
17   O        17.2322   34.8205   18.2442  O     
18   O        20.3967   34.3024   16.7085  O     
19   N        20.6548   35.5062   14.1027  N     
20   C        21.0526   34.9930   12.8330  C     
21   C        21.2707   35.9981   11.7545  C     
22   C        20.3413   36.1343   10.6867  C     
23   C        22.4290   36.8100   11.7359  C     
24   C        22.6229   37.7746   10.7284  C     
25   C        20.5262   37.1033    9.6706  C     
26   C        21.6776   37.9250    9.6905  C     
27   Cl       19.3420   37.2225    8.4561  Cl    
28   Cl       21.9649   39.1174    8.5159  Cl    
29   O        20.0186   31.9048   15.7035  O     
30   C        19.8225   30.8797   14.7110  C     
31   C        19.1902   29.6177   15.1857  C     
32   C        18.2056   27.4328   14.6725  C     
33   C        18.7925   28.6394   14.2470  C     
34   C        19.0133   29.3372   16.5612  C     
35   C        18.3867   28.1550   16.9857  C     
36   C        17.9780   27.1935   16.0432  C     
37   C        17.4358   26.0807   16.4445  C     
38   N        16.9518   25.1025   16.8042  N     
39   H        24.0711   38.7262   18.9527  H     
40   H        24.7140   38.4429   13.7305  H     
41   H        25.7549   39.2673   14.7511  H     
42   H        20.7279   35.7276   18.1490  H     
43   H        19.3130   33.3758   18.1700  H     
44   H        18.2572   31.7670   16.8818  H     
45   H        18.1139   32.7982   15.4277  H     
46   H        18.7706   36.6259   16.0141  H     
47   H        17.4821   34.8014   16.2024  H     
48   H        18.0426   37.7666   17.5551  H     
49   H        17.8169   34.9548   19.0304  H     
50   H        19.8787   35.0891   14.4983  H     
51   H        21.9620   34.3919   12.9636  H     
52   H        20.2589   34.2961   12.5259  H     
53   H        19.5017   35.5337   10.6686  H     
54   H        23.1473   36.7129   12.4625  H     
55   H        23.4642   38.3641   10.7546  H     
56   H        19.2506   31.2849   13.8657  H     
57   H        20.8164   30.6228   14.3325  H     
58   H        17.9448   26.7398   13.9666  H     
59   H        18.9345   28.7970   13.2479  H     
60   H        19.3407   30.0031   17.2655  H     
61   H        18.2652   27.9979   17.9943  H     
@<TRIPOS>BOND
     1    1    3 2
     2    1    5 1
     3    1    6 1
     4    2    3 1
     5    2    4 2
     6    4    7 1
     7    6    7 2
     8    6    9 1
     9    7   10 1
    10    8    9 2
    11    8   10 1
    12    8   19 1
    13   11   10 1
    14   11   14 1
    15   11   18 1
    16   12   13 1
    17   12   15 1
    18   12   18 1
    19   13   29 1
    20   14   15 1
    21   14   16 1
    22   15   17 1
    23   19   20 1
    24   20   21 1
    25   21   22 2
    26   21   23 1
    27   22   25 1
    28   23   24 2
    29   24   26 1
    30   25   26 2
    31   25   27 1
    32   26   28 1
    33   29   30 1
    34   30   31 1
    35   31   33 2
    36   31   34 1
    37   32   33 1
    38   32   36 2
    39   34   35 2
    40   35   36 1
    41   36   37 1
    42   37   38 3
    43    2   39 1
    44    5   40 1
    45    5   41 1
    46   11   42 1
    47   12   43 1
    48   13   44 1
    49   13   45 1
    50   14   46 1
    51   15   47 1
    52   16   48 1
    53   17   49 1
    54   19   50 1
    55   20   51 1
    56   20   52 1
    57   22   53 1
    58   23   54 1
    59   24   55 1
    60   30   56 1
    61   30   57 1
    62   32   58 1
    63   33   59 1
    64   34   60 1
    65   35   61 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9625
  Crash		| -5.7942
  Polar		| 5.9105
  FragIndex	| 1
  FragRMSD	| 0.511