@<TRIPOS>MOLECULE
BindingDB_16509
 55 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.8179   18.4994   -8.9526  C     
2    C        10.1531   18.7952   -8.2675  C     
3    O        10.4413   19.5356   -9.1978  O     
4    C        11.2012   18.4362   -7.3482  C     
5    C        12.4619   17.7960   -7.9032  C     
6    C        13.7053   17.9764   -7.2041  C     
7    O        14.6753   18.3243   -7.8685  O     
8    N        13.7987   17.7374   -5.9028  N     
9    C        15.0106   17.6177   -5.1298  C     
10   C        15.0437   16.2554   -4.5645  C     
11   O        14.0183   15.8871   -3.9791  O     
12   C        15.2033   18.7123   -4.0124  C     
13   C        16.5825   18.5454   -3.2901  C     
14   C        15.0377   20.1590   -4.5865  C     
15   C        15.3588   21.3304   -3.6281  C     
16   O        11.4443   17.0249   -7.2480  O     
17   C        18.2176   14.4698   -5.1741  C     
18   C        17.2752   15.6697   -5.3877  C     
19   C        16.1920   14.1727   -3.8662  C     
20   C        17.7026   13.8301   -3.8780  C     
21   N        16.1032   15.4228   -4.5928  N     
22   C        15.7012   14.1719   -2.4610  C     
23   O        15.5730   13.0032   -1.7976  O     
24   O        15.6087   15.3296   -1.7607  O     
25   N         8.9371   18.3025   -8.0881  N     
26   C         7.0358   19.7939   -8.6311  C     
27   C         5.9362   20.0880   -9.6708  C     
28   H         8.1560   18.5054   -9.9938  H     
29   H         7.1408   17.6486   -8.8339  H     
30   H        11.2527   18.9315   -6.3746  H     
31   H        12.4982   17.5769   -8.9727  H     
32   H        12.9732   17.4904   -5.4527  H     
33   H        15.8442   17.7422   -5.8252  H     
34   H        14.4228   18.5658   -3.2600  H     
35   H        16.7955   17.5180   -2.9959  H     
36   H        16.6094   19.1397   -2.3790  H     
37   H        17.3935   18.8798   -3.9406  H     
38   H        15.6598   20.2544   -5.4864  H     
39   H        13.9944   20.2875   -4.8909  H     
40   H        14.8028   21.2114   -2.6957  H     
41   H        15.0749   22.2757   -4.0886  H     
42   H        16.4239   21.3631   -3.4089  H     
43   H        18.1229   13.7622   -6.0040  H     
44   H        19.2623   14.7833   -5.0827  H     
45   H        17.7561   16.6015   -5.0720  H     
46   H        17.0224   15.7405   -6.4510  H     
47   H        15.6412   13.4125   -4.4377  H     
48   H        17.8725   12.7466   -3.8575  H     
49   H        18.2254   14.2913   -3.0304  H     
50   H         8.8078   17.7009   -7.3392  H     
51   H         6.5736   19.6951   -7.6461  H     
52   H         7.7209   20.6426   -8.5921  H     
53   H         6.3710   20.2169  -10.6616  H     
54   H         5.4063   21.0026   -9.4067  H     
55   H         5.2197   19.2674   -9.7054  H     
@<TRIPOS>BOND
     1    1   25 1
     2    1   26 1
     3    2    3 2
     4    4    2 1
     5    2   25 am
     6    4    5 1
     7    4   16 1
     8    5    6 1
     9    5   16 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   21 am
    17   12   13 1
    18   12   14 1
    19   14   15 1
    20   17   18 1
    21   17   20 1
    22   18   21 1
    23   19   20 1
    24   19   21 1
    25   19   22 1
    26   22   23 2
    27   22   24 1
    28   26   27 1
    29    1   28 1
    30    1   29 1
    31    4   30 1
    32    5   31 1
    33    8   32 1
    34    9   33 1
    35   12   34 1
    36   13   35 1
    37   13   36 1
    38   13   37 1
    39   14   38 1
    40   14   39 1
    41   15   40 1
    42   15   41 1
    43   15   42 1
    44   17   43 1
    45   17   44 1
    46   18   45 1
    47   18   46 1
    48   19   47 1
    49   20   48 1
    50   20   49 1
    51   25   50 1
    52   26   51 1
    53   26   52 1
    54   27   53 1
    55   27   54 1
    56   27   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6000
  Crash		| -1.6450
  Polar		| 3.0416
  FragIndex	| 1
  FragRMSD	| 0.651