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


@<TRIPOS>ATOM
1    C        14.4618   20.3240   -5.1928  C     
2    C        13.8421   17.9808   -5.6500  C     
3    O        14.1049   16.8185   -5.3845  O     
4    C        12.6941   18.2561   -6.4940  C     
5    C        12.1081   17.2506   -7.4744  C     
6    C        10.7789   17.4400   -8.0198  C     
7    O        10.5338   18.3793   -8.7775  O     
8    N         9.7857   16.6302   -7.6792  N     
9    C         8.4630   16.5133   -8.2691  C     
10   C         7.7875   17.7482   -8.7026  C     
11   O         8.0552   18.7807   -8.0990  O     
12   C         7.5314   15.6619   -7.3238  C     
13   C         8.0111   14.1723   -7.2575  C     
14   O        13.0666   18.2432   -7.8844  O     
15   N        14.5816   18.9037   -5.0486  N     
16   C         7.3900   16.2926   -5.9028  C     
17   C         6.1900   15.7792   -5.0686  C     
18   C         5.3834   17.2089  -11.4535  C     
19   C         6.5919   16.7553  -10.6212  C     
20   C         6.0588   18.9896   -9.9634  C     
21   C         5.4632   18.7368  -11.3694  C     
22   N         6.8609   17.8126   -9.6846  N     
23   C         4.9997   19.2342   -8.9530  C     
24   O         4.7247   18.3046   -8.0035  O     
25   O         4.2814   20.3929   -8.9996  O     
26   C         3.2229   20.7395   -8.1042  C     
27   C        15.1852   21.1090   -4.0721  C     
28   C        16.7247   21.1848   -4.2346  C     
29   H        14.8583   20.6258   -6.1652  H     
30   H        13.4090   20.6040   -5.1530  H     
31   H        12.0542   19.1009   -6.2393  H     
32   H        12.5337   16.2487   -7.4789  H     
33   H        10.0325   15.9256   -7.0503  H     
34   H         8.6560   15.9390   -9.1840  H     
35   H         6.5306   15.6223   -7.7591  H     
36   H         8.0943   13.7514   -8.2639  H     
37   H         7.2937   13.5611   -6.7043  H     
38   H         8.9853   14.0946   -6.7679  H     
39   H        15.2741   18.5779   -4.4447  H     
40   H         8.3001   16.1208   -5.3225  H     
41   H         7.2731   17.3723   -6.0174  H     
42   H         5.2594   15.8473   -5.6406  H     
43   H         6.0808   16.3855   -4.1660  H     
44   H         6.3520   14.7411   -4.7714  H     
45   H         5.4355   16.8462  -12.4865  H     
46   H         4.4515   16.8523  -10.9927  H     
47   H         6.3552   15.8077  -10.1368  H     
48   H         7.4607   16.6194  -11.2731  H     
49   H         6.6896   19.8835  -10.0111  H     
50   H         6.1510   19.1033  -12.1375  H     
51   H         4.4805   19.1979  -11.5323  H     
52   H         2.4144   20.0117   -8.2043  H     
53   H         2.8429   21.7322   -8.3568  H     
54   H         3.5801   20.7581   -7.0707  H     
55   H        14.8019   22.1337   -4.0567  H     
56   H        14.9539   20.6561   -3.1024  H     
57   H        17.1623   20.1817   -4.2909  H     
58   H        17.1542   21.7074   -3.3743  H     
59   H        16.9804   21.7399   -5.1417  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	| 4.6638
  Crash		| -1.6734
  Polar		| 0.5600
  FragIndex	| 1
  FragRMSD	| 1.277