@<TRIPOS>MOLECULE
BindingDB_16510
 47 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.9738   14.9026   -0.1360  C     
2    O        12.8547   15.6322   -0.3339  O     
3    C        15.0555   14.9552   -1.1206  C     
4    C        14.9059   14.0437   -2.3336  C     
5    C        15.5588   14.3390   -3.5809  C     
6    O        15.9166   13.3925   -4.2662  O     
7    N        15.7216   15.6086   -3.9196  N     
8    C        16.4163   16.2028   -5.0231  C     
9    O        16.0480   18.4730   -5.2797  O     
10   O        15.8501   13.7791   -1.2748  O     
11   C        16.9028   15.3237   -6.2259  C     
12   C        18.1715   14.3930   -6.0758  C     
13   C        19.2431   14.7244   -7.1595  C     
14   C        18.8229   14.3644   -4.6651  C     
15   C        15.6250   17.3420   -5.4892  C     
16   N        14.5291   17.1571   -6.2142  N     
17   C        13.8508   18.2110   -6.9081  C     
18   C        12.5712   17.7593   -7.6569  C     
19   C        11.2277   18.1090   -6.9340  C     
20   C        10.0821   18.3503   -7.9597  C     
21   C        10.8048   17.0310   -5.8982  C     
22   O        14.0423   14.0282    0.8967  O     
23   H        15.5996   15.8909   -1.2674  H     
24   H        14.1062   13.2980   -2.3330  H     
25   H        15.3737   16.2438   -3.2771  H     
26   H        17.3132   16.6195   -4.5626  H     
27   H        16.0654   14.6999   -6.5543  H     
28   H        17.0970   16.0185   -7.0568  H     
29   H        17.8505   13.3670   -6.2822  H     
30   H        18.7979   14.6968   -8.1580  H     
31   H        20.0606   13.9966   -7.1247  H     
32   H        19.6579   15.7292   -6.9844  H     
33   H        19.1317   15.3709   -4.3728  H     
34   H        19.6967   13.7142   -4.6560  H     
35   H        18.1113   13.9830   -3.9257  H     
36   H        14.2023   16.2540   -6.3290  H     
37   H        13.6000   19.0093   -6.2115  H     
38   H        14.5385   18.6285   -7.6457  H     
39   H        12.5594   18.2649   -8.6303  H     
40   H        12.6044   16.6860   -7.8695  H     
41   H        11.3522   19.0490   -6.3885  H     
42   H        10.3505   19.1629   -8.6399  H     
43   H         9.1577   18.6314   -7.4489  H     
44   H         9.8984   17.4450   -8.5481  H     
45   H        10.7057   16.0524   -6.3816  H     
46   H         9.8513   17.2909   -5.4377  H     
47   H        11.5504   16.9520   -5.1008  H     
@<TRIPOS>BOND
     1    1    2 2
     2    3    1 1
     3    1   22 1
     4    3    4 1
     5    3   10 1
     6    4    5 1
     7    4   10 1
     8    5    6 2
     9    5    7 am
    10    7    8 1
    11    8   11 1
    12    8   15 1
    13    9   15 2
    14   11   12 1
    15   12   13 1
    16   12   14 1
    17   15   16 am
    18   16   17 1
    19   17   18 1
    20   18   19 1
    21   19   20 1
    22   19   21 1
    23    3   23 1
    24    4   24 1
    25    7   25 1
    26    8   26 1
    27   11   27 1
    28   11   28 1
    29   12   29 1
    30   13   30 1
    31   13   31 1
    32   13   32 1
    33   14   33 1
    34   14   34 1
    35   14   35 1
    36   16   36 1
    37   17   37 1
    38   17   38 1
    39   18   39 1
    40   18   40 1
    41   19   41 1
    42   20   42 1
    43   20   43 1
    44   20   44 1
    45   21   45 1
    46   21   46 1
    47   21   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.8619
  Crash		| -1.9381
  Polar		| 0.7170
  FragIndex	| 1
  FragRMSD	| 0.829