@<TRIPOS>MOLECULE
BindingDB_16499
 47 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.7557   16.5183   -5.3304  C     
2    C        17.5384   15.2892   -5.8307  C     
3    O        15.3432   16.3403   -5.5063  O     
4    C        14.5074   17.0189   -6.3371  C     
5    O        14.9537   17.9561   -7.2011  O     
6    C        13.0762   16.7047   -6.3168  C     
7    C        12.0851   17.8442   -6.2120  C     
8    C        10.7175   17.6789   -6.6208  C     
9    O        10.4864   17.1321   -7.6934  O     
10   N         9.7629   18.1622   -5.8419  N     
11   C         8.3431   18.0465   -6.0720  C     
12   C         7.8695   18.8643   -7.1984  C     
13   O         8.6482   19.5914   -7.8069  O     
14   C         7.5513   18.3251   -4.7405  C     
15   C         8.0916   17.4932   -3.5425  C     
16   C         7.4489   19.8489   -4.3546  C     
17   C         5.9903   20.3327   -4.1895  C     
18   O        12.4292   17.0300   -5.0823  O     
19   N         6.5840   18.8252   -7.5387  N     
20   C         5.9498   19.6131   -8.5563  C     
21   C         5.9338   18.8328   -9.8906  C     
22   C         4.5808   20.0034   -8.1585  C     
23   O         3.9922   19.5446   -7.0322  O     
24   O         3.8958   20.8926   -8.9053  O     
25   H        16.9529   16.6579   -4.2652  H     
26   H        17.1104   17.4066   -5.8520  H     
27   H        17.2374   14.3995   -5.2759  H     
28   H        18.6113   15.4467   -5.6916  H     
29   H        17.3426   15.1330   -6.8936  H     
30   H        12.7291   15.7627   -6.7439  H     
31   H        12.4755   18.8563   -6.1100  H     
32   H        10.0525   18.5954   -5.0236  H     
33   H         8.1483   16.9979   -6.3396  H     
34   H         6.5413   17.9479   -4.9095  H     
35   H         8.1191   16.4279   -3.7870  H     
36   H         7.4439   17.6249   -2.6711  H     
37   H         9.1007   17.8035   -3.2567  H     
38   H         7.9752   20.0505   -3.4152  H     
39   H         7.9252   20.4738   -5.1150  H     
40   H         5.4280   20.1825   -5.1140  H     
41   H         5.9757   21.4044   -3.9520  H     
42   H         5.4974   19.7771   -3.3827  H     
43   H         6.0227   18.2032   -7.0416  H     
44   H         6.5069   20.5383   -8.7055  H     
45   H         6.9493   18.5599  -10.1833  H     
46   H         5.5121   19.4484  -10.6848  H     
47   H         5.3409   17.9193   -9.8043  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    3    4 1
     4    4    5 2
     5    6    4 1
     6    6    7 1
     7    6   18 1
     8    7    8 1
     9    7   18 1
    10    8    9 2
    11    8   10 am
    12   10   11 1
    13   11   12 1
    14   11   14 1
    15   12   13 2
    16   12   19 am
    17   14   15 1
    18   14   16 1
    19   16   17 1
    20   19   20 1
    21   20   21 1
    22   20   22 1
    23   22   23 2
    24   22   24 1
    25    1   25 1
    26    1   26 1
    27    2   27 1
    28    2   28 1
    29    2   29 1
    30    6   30 1
    31    7   31 1
    32   10   32 1
    33   11   33 1
    34   14   34 1
    35   15   35 1
    36   15   36 1
    37   15   37 1
    38   16   38 1
    39   16   39 1
    40   17   40 1
    41   17   41 1
    42   17   42 1
    43   19   43 1
    44   20   44 1
    45   21   45 1
    46   21   46 1
    47   21   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1030
  Crash		| -1.6056
  Polar		| 5.2124
  FragIndex	| 1
  FragRMSD	| 0.361