@<TRIPOS>MOLECULE
BindingDB_16503
 59 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        11.9029   17.4425   -6.6339  C     
2    C        10.0538   17.3613   -4.9117  C     
3    O         9.8311   16.7593   -3.8722  O     
4    C         8.9677   18.2277   -5.3547  C     
5    C         8.8777   19.1937   -6.5358  C     
6    C         7.5543   19.3834   -7.0776  C     
7    O         6.7510   19.8706   -6.3176  O     
8    N         7.1748   18.9612   -8.2685  N     
9    C         5.8482   18.9158   -8.8397  C     
10   C         4.7147   18.7165   -7.8926  C     
11   O         4.0396   19.7348   -7.7439  O     
12   C         5.6793   18.1323  -10.2011  C     
13   C         5.2443   19.1011  -11.3540  C     
14   O         9.1973   19.6374   -5.2130  O     
15   N        11.2247   17.0314   -5.4438  N     
16   C         6.9125   17.2577  -10.6091  C     
17   C         6.5424   15.9776  -11.3962  C     
18   C         3.7916   15.3061   -6.8132  C     
19   C         4.9314   16.3135   -7.0013  C     
20   C         3.1048   17.6324   -6.3988  C     
21   C         2.6325   16.1603   -6.2672  C     
22   N         4.3041   17.6088   -7.2064  N     
23   C         3.3286   18.3260   -5.1000  C     
24   O         2.2873   18.5064   -4.2515  O     
25   O         4.5661   18.7859   -4.7697  O     
26   C         4.9124   19.5463   -3.6119  C     
27   C        11.3971   16.6702   -7.8759  C     
28   C        11.6584   15.1470   -7.8116  C     
29   H        11.8125   18.5058   -6.8120  H     
30   H        12.9680   17.2311   -6.4882  H     
31   H         8.0005   17.9963   -4.8887  H     
32   H         9.7017   19.3119   -7.2287  H     
33   H         7.8677   18.5641   -8.8181  H     
34   H         5.8032   19.9703   -9.1585  H     
35   H         4.8544   17.4401  -10.1052  H     
36   H         4.4104   19.7275  -11.0295  H     
37   H         4.8990   18.5428  -12.2246  H     
38   H         6.0809   19.7381  -11.6545  H     
39   H        11.7139   16.3631   -4.9232  H     
40   H         7.6108   17.8584  -11.1892  H     
41   H         7.4309   16.9164   -9.7161  H     
42   H         5.8235   15.3728  -10.8409  H     
43   H         7.4294   15.3699  -11.5670  H     
44   H         6.1097   16.2263  -12.3636  H     
45   H         3.5212   14.8281   -7.7698  H     
46   H         4.0838   14.5235   -6.0926  H     
47   H         5.5006   16.3077   -6.0554  H     
48   H         5.5903   15.9752   -7.7935  H     
49   H         2.3201   18.1560   -6.9478  H     
50   H         1.7359   15.9801   -6.8816  H     
51   H         2.3915   15.8792   -5.2306  H     
52   H         4.4511   20.5317   -3.6674  H     
53   H         5.9958   19.6759   -3.5736  H     
54   H         4.5832   19.0323   -2.7089  H     
55   H        10.3196   16.8464   -7.9960  H     
56   H        11.9089   17.0716   -8.7629  H     
57   H        12.7247   14.9538   -7.6945  H     
58   H        11.3127   14.6775   -8.7305  H     
59   H        11.1224   14.6998   -6.9683  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   27 1
     3    2    3 2
     4    4    2 1
     5    2   15 am
     6    4    5 1
     7    4   14 1
     8    5    6 1
     9    5   14 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14    9   12 1
    15   10   11 2
    16   10   22 am
    17   12   13 1
    18   12   16 1
    19   16   17 1
    20   18   19 1
    21   18   21 1
    22   19   22 1
    23   20   21 1
    24   20   22 1
    25   20   23 1
    26   23   24 2
    27   23   25 1
    28   25   26 1
    29   27   28 1
    30    1   29 1
    31    1   30 1
    32    4   31 1
    33    5   32 1
    34    8   33 1
    35    9   34 1
    36   12   35 1
    37   13   36 1
    38   13   37 1
    39   13   38 1
    40   15   39 1
    41   16   40 1
    42   16   41 1
    43   17   42 1
    44   17   43 1
    45   17   44 1
    46   18   45 1
    47   18   46 1
    48   19   47 1
    49   19   48 1
    50   20   49 1
    51   21   50 1
    52   21   51 1
    53   26   52 1
    54   26   53 1
    55   26   54 1
    56   27   55 1
    57   27   56 1
    58   28   57 1
    59   28   58 1
    60   28   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.1986
  Crash		| -2.2284
  Polar		| 0.7954
  FragIndex	| 1
  FragRMSD	| 1.385