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


@<TRIPOS>ATOM
1    C        14.4695   16.8922   -6.4102  C     
2    O        14.9724   17.9455   -7.0954  O     
3    C        13.0324   16.6270   -6.4367  C     
4    C        12.0726   17.7915   -6.2816  C     
5    C        10.7208   17.6907   -6.7458  C     
6    O        10.4773   17.0657   -7.7751  O     
7    N         9.7917   18.4071   -6.1182  N     
8    C         8.3932   18.4769   -6.4440  C     
9    O         8.9945   19.3842   -8.5027  O     
10   O        12.3760   16.9092   -5.1888  O     
11   C         7.6538   19.5307   -5.5494  C     
12   C         7.0599   18.9738   -4.2149  C     
13   C         8.1313   18.7612   -3.1105  C     
14   C         5.9176   19.8910   -3.7041  C     
15   C         8.1594   18.7625   -7.8585  C     
16   N         7.0062   18.3852   -8.3912  N     
17   C         6.5880   18.5249   -9.7482  C     
18   C         5.2456   17.7684   -9.9701  C     
19   C         4.9847   17.2926  -11.4313  C     
20   C         5.9140   16.1141  -11.8535  C     
21   C         3.4923   16.8818  -11.6067  C     
22   O        15.3008   16.0729   -5.7304  O     
23   H        12.6733   15.6993   -6.8837  H     
24   H        12.5096   18.7860   -6.1476  H     
25   H        10.0998   18.9076   -5.3430  H     
26   H         7.9794   17.4917   -6.2129  H     
27   H         8.3287   20.3659   -5.3318  H     
28   H         6.8163   19.9504   -6.1208  H     
29   H         6.6055   18.0012   -4.4278  H     
30   H         8.8866   18.0458   -3.4351  H     
31   H         7.6650   18.3649   -2.2075  H     
32   H         8.6222   19.7045   -2.8588  H     
33   H         6.3002   20.8895   -3.4886  H     
34   H         5.4781   19.4761   -2.7981  H     
35   H         5.1253   19.9763   -4.4495  H     
36   H         6.3978   17.8985   -7.8125  H     
37   H         6.4581   19.5799  -10.0367  H     
38   H         7.3699   18.0838  -10.3682  H     
39   H         5.2035   16.8993   -9.3054  H     
40   H         4.4470   18.4507   -9.6526  H     
41   H         5.1674   18.1323  -12.1103  H     
42   H         6.9483   16.4500  -11.9679  H     
43   H         5.5978   15.6977  -12.8129  H     
44   H         5.8857   15.3146  -11.1049  H     
45   H         3.2540   16.0277  -10.9679  H     
46   H         3.2894   16.6095  -12.6431  H     
47   H         2.8337   17.7126  -11.3425  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	| 6.7761
  Crash		| -1.3714
  Polar		| 3.0869
  FragIndex	| 1
  FragRMSD	| 0.698