@<TRIPOS>MOLECULE
BindingDB_15262
 52 54 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.5194   11.0053  -19.7277  C     
2    O        -4.1014   11.7916  -20.5606  O     
3    N        -3.7427   10.0803  -19.1718  N     
4    N        -5.8190   11.1072  -19.4841  N     
5    C        -2.4303    9.7152  -19.3942  C     
6    C        -1.5588   10.2775  -20.3622  C     
7    C        -1.9539    8.6165  -18.6369  C     
8    C        -0.2662    9.7560  -20.5824  C     
9    C        -0.6547    8.1084  -18.8412  C     
10   C         0.2041    8.6752  -19.8038  C     
11   Cl        0.6529   10.3866  -21.8616  Cl    
12   N        -6.1636   10.0966  -17.3446  N     
13   N        -8.6764    9.4151  -18.0422  N     
14   C        -6.5799   10.3998  -18.6044  C     
15   C        -8.2462    9.0912  -16.7963  C     
16   C        -7.9046   10.0668  -18.9449  C     
17   C        -6.9347    9.4538  -16.4216  C     
18   O        -6.5145    9.3186  -15.1220  O     
19   O        -2.7691    8.0293  -17.7042  O     
20   C        -3.3773    6.7988  -18.1470  C     
21   C        -5.4220    7.0824  -14.8862  C     
22   C        -5.2692    8.6331  -14.8924  C     
23   C        -4.6342    6.4996  -17.2991  C     
24   C        -4.3779    6.3443  -15.7672  C     
25   C        -9.0687    8.4781  -15.9976  C     
26   N        -9.7925    7.9261  -15.2974  N     
27   O         1.3933    8.0415  -20.0770  O     
28   C         2.5978    8.4024  -19.3541  C     
29   C         3.2788    9.6634  -19.9412  C     
30   C         2.4336    8.4922  -17.8136  C     
31   H        -4.2046    9.5206  -18.5304  H     
32   H        -6.3044   11.7434  -20.0357  H     
33   H        -1.8676   11.0444  -20.9568  H     
34   H        -0.3467    7.2938  -18.3056  H     
35   H        -8.2888   10.2880  -19.8629  H     
36   H        -3.6977    6.8597  -19.1934  H     
37   H        -2.6583    5.9814  -18.0530  H     
38   H        -5.3141    6.7243  -13.8575  H     
39   H        -6.4260    6.7982  -15.2148  H     
40   H        -4.5028    8.9671  -15.5965  H     
41   H        -4.9275    8.9486  -13.9020  H     
42   H        -5.3507    7.3008  -17.4926  H     
43   H        -5.0912    5.5786  -17.6755  H     
44   H        -3.3776    6.6921  -15.4955  H     
45   H        -4.4104    5.2782  -15.5220  H     
46   H         3.2889    7.5737  -19.5375  H     
47   H         4.2625    9.8223  -19.4880  H     
48   H         2.6657   10.5477  -19.7712  H     
49   H         3.4146    9.5427  -21.0168  H     
50   H         1.7903    9.3348  -17.5470  H     
51   H         3.4045    8.6249  -17.3320  H     
52   H         1.9852    7.5719  -17.4316  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   28   29 1
    32   28   30 1
    33    3   31 1
    34    4   32 1
    35    6   33 1
    36    9   34 1
    37   16   35 1
    38   20   36 1
    39   20   37 1
    40   21   38 1
    41   21   39 1
    42   22   40 1
    43   22   41 1
    44   23   42 1
    45   23   43 1
    46   24   44 1
    47   24   45 1
    48   28   46 1
    49   29   47 1
    50   29   48 1
    51   29   49 1
    52   30   50 1
    53   30   51 1
    54   30   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.4249
  Crash		| -1.8811
  Polar		| 2.2253
  FragIndex	| 1
  FragRMSD	| 1.021