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


@<TRIPOS>ATOM
1    C        13.2855   17.4634   -6.8488  C     
2    O        14.4717   17.8248   -7.3854  O     
3    C        12.0864   18.2241   -7.1848  C     
4    C        11.0611   17.6718   -8.1510  C     
5    C         9.7210   18.2062   -8.0531  C     
6    O         9.3596   19.0805   -8.8462  O     
7    N         8.8782   17.6107   -7.2187  N     
8    C         7.5314   17.9905   -6.8917  C     
9    O         6.1395   19.2372   -8.3136  O     
10   O        12.0761   18.5757   -8.5777  O     
11   C         7.4989   19.1488   -5.8451  C     
12   C         6.6843   18.8210   -4.5388  C     
13   C         7.6427   18.6773   -3.3182  C     
14   C         5.5629   19.8523   -4.2665  C     
15   C         6.7424   18.1763   -8.0936  C     
16   N         6.7868   17.2302   -9.0229  N     
17   C         6.5712   17.4519  -10.4179  C     
18   C         5.0736   17.6787  -10.8461  C     
19   C         4.4111   19.0518  -10.4930  C     
20   C         5.2697   20.3160  -10.8092  C     
21   C         3.0255   19.1839  -11.1961  C     
22   O        13.2680   16.6390   -5.7734  O     
23   H        11.8278   19.0851   -6.5587  H     
24   H        11.2077   16.6566   -8.5020  H     
25   H         9.2446   16.8462   -6.7184  H     
26   H         7.1359   17.0971   -6.4182  H     
27   H         8.5281   19.4074   -5.5835  H     
28   H         7.1153   20.0566   -6.3200  H     
29   H         6.1756   17.8590   -4.6397  H     
30   H         8.3767   17.8852   -3.5031  H     
31   H         7.0787   18.4182   -2.4252  H     
32   H         8.1732   19.6156   -3.1445  H     
33   H         5.9891   20.8439   -4.1164  H     
34   H         4.9931   19.5655   -3.3767  H     
35   H         4.8660   19.8807   -5.1126  H     
36   H         7.2191   16.3792   -8.7826  H     
37   H         7.1920   18.2993  -10.7267  H     
38   H         6.9347   16.5352  -10.9170  H     
39   H         5.0273   17.5137  -11.9261  H     
40   H         4.4561   16.8909  -10.4104  H     
41   H         4.2053   19.0847   -9.4176  H     
42   H         6.0674   20.4101  -10.0562  H     
43   H         4.6686   21.2263  -10.7747  H     
44   H         5.7275   20.1911  -11.8117  H     
45   H         3.1753   19.3923  -12.2626  H     
46   H         2.4507   19.9956  -10.7536  H     
47   H         2.4484   18.2570  -11.0855  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	| 5.3434
  Crash		| -2.7959
  Polar		| 2.2847
  FragIndex	| 1
  FragRMSD	| 1.289