@<TRIPOS>MOLECULE
BindingDB_14792
 46 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.4599   45.2836   11.6123  C     
2    C        14.2382   45.4616   10.4660  C     
3    N        14.2838   44.9456   12.6093  N     
4    N        15.5141   44.8830   12.1947  N     
5    C        12.0063   45.4618   11.7959  C     
6    C        13.7818   45.9044    9.2007  C     
7    O        14.6628   46.3270    8.2630  O     
8    O        12.4469   46.0394    8.9644  O     
9    C        11.7666   46.5851    7.8324  C     
10   C        12.0209   45.8186    6.5193  C     
11   C        16.5372   44.6046   13.0737  C     
12   C        16.3202   43.7437   14.1690  C     
13   C        17.3569   43.4240   15.0618  C     
14   C        18.6636   43.9593   14.9209  C     
15   C        18.8445   44.8931   13.8647  C     
16   C        17.8087   45.2087   12.9639  C     
17   C        15.5472   45.1572   10.8632  C     
18   C        16.7309   45.0861    9.9653  C     
19   C        19.7744   43.5210   15.8654  C     
20   C        19.3992   43.8911   17.3372  C     
21   C        19.9704   41.9691   15.7543  C     
22   C        21.1767   44.1686   15.5714  C     
23   H        11.7224   46.4872   11.5573  H     
24   H        11.7173   45.2569   12.8261  H     
25   H        11.4621   44.7789   11.1450  H     
26   H        10.7005   46.5515    8.0478  H     
27   H        12.0507   47.6308    7.7074  H     
28   H        13.0718   45.8895    6.2340  H     
29   H        11.4131   46.2420    5.7155  H     
30   H        11.7572   44.7630    6.6381  H     
31   H        15.4011   43.3165   14.3108  H     
32   H        17.1404   42.7713   15.8148  H     
33   H        19.7390   45.3628   13.7255  H     
34   H        17.9897   45.8918   12.2244  H     
35   H        16.4914   44.5005    9.0757  H     
36   H        17.5854   44.6175   10.4559  H     
37   H        17.0108   46.0921    9.6545  H     
38   H        19.2392   44.9682   17.4314  H     
39   H        20.1961   43.6023   18.0281  H     
40   H        18.4883   43.3821   17.6594  H     
41   H        19.0785   41.4243   16.0753  H     
42   H        20.7969   41.6298   16.3849  H     
43   H        20.1878   41.6816   14.7214  H     
44   H        21.5053   43.9396   14.5546  H     
45   H        21.9386   43.7914   16.2588  H     
46   H        21.1371   45.2548   15.6884  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   17 2
     6    3    4 1
     7    4   11 1
     8    4   17 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   14   19 1
    19   15   16 2
    20   17   18 1
    21   19   20 1
    22   19   21 1
    23   19   22 1
    24    5   23 1
    25    5   24 1
    26    5   25 1
    27    9   26 1
    28    9   27 1
    29   10   28 1
    30   10   29 1
    31   10   30 1
    32   12   31 1
    33   13   32 1
    34   15   33 1
    35   16   34 1
    36   18   35 1
    37   18   36 1
    38   18   37 1
    39   20   38 1
    40   20   39 1
    41   20   40 1
    42   21   41 1
    43   21   42 1
    44   21   43 1
    45   22   44 1
    46   22   45 1
    47   22   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3913
  Crash		| -0.8812
  Polar		| 1.1637
  FragIndex	| 1
  FragRMSD	| 0.373