@<TRIPOS>MOLECULE
BindingDB_26443
 46 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.0890   -3.7160   20.6589  C     
2    C        24.6174   -4.8934   19.9364  C     
3    O        25.2694   -5.8602   20.6088  O     
4    O        24.6666   -4.9138   18.5819  O     
5    C        25.1028   -2.5369   20.7972  C     
6    C        26.2037   -2.3805   19.7098  C     
7    C        27.0932   -1.2379   19.9851  C     
8    O        27.8669   -1.2268   21.0937  O     
9    O        27.2395   -0.2371   19.0872  O     
10   N        22.8693   -3.2897   20.0526  N     
11   S        21.4391   -4.1779   20.1394  S     
12   O        21.5911   -5.4200   21.1236  O     
13   O        21.1617   -4.7912   18.6951  O     
14   C        20.0921   -3.2045   20.6523  C     
15   C        19.0527   -1.0036   20.9161  C     
16   C        19.0571    0.3831   20.7404  C     
17   C        17.9867    1.1175   21.1086  C     
18   C        16.8728    0.5460   21.6609  C     
19   C        16.8487   -0.7886   21.9027  C     
20   C        17.9118   -1.6086   21.5077  C     
21   C        17.8705   -3.0170   21.6490  C     
22   C        18.9552   -3.8059   21.2293  C     
23   C        20.1385   -1.8039   20.4983  C     
24   C        14.5273    0.9514   21.5933  C     
25   O        15.8564    1.3739   21.9776  O     
26   C        13.6085    2.1781   21.3774  C     
27   C        12.2690    1.7902   20.7046  C     
28   H        23.8376   -4.0390   21.6761  H     
29   H        24.5475   -1.5987   20.8488  H     
30   H        25.6073   -2.6547   21.7566  H     
31   H        26.8282   -3.2756   19.6805  H     
32   H        25.7414   -2.2561   18.7277  H     
33   H        22.9046   -2.5702   19.4018  H     
34   H        19.8347    0.8349   20.3199  H     
35   H        18.0179    2.1015   20.9841  H     
36   H        16.0641   -1.1938   22.3534  H     
37   H        17.0469   -3.4794   22.0451  H     
38   H        18.9064   -4.8233   21.3396  H     
39   H        20.9601   -1.3689   20.0692  H     
40   H        14.5395    0.3590   20.6694  H     
41   H        14.1035    0.3385   22.3954  H     
42   H        13.4010    2.6590   22.3423  H     
43   H        14.1202    2.9092   20.7398  H     
44   H        12.4583    1.3165   19.7390  H     
45   H        11.6616    2.6808   20.5350  H     
46   H        11.7129    1.1014   21.3426  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    1   10 1
     4    2    3 2
     5    2    4 1
     6    5    6 1
     7    6    7 1
     8    7    8 2
     9    7    9 1
    10   10   11 1
    11   11   12 2
    12   11   13 2
    13   11   14 1
    14   14   22 2
    15   14   23 1
    16   15   16 1
    17   15   20 1
    18   15   23 2
    19   16   17 2
    20   17   18 1
    21   18   19 2
    22   18   25 1
    23   19   20 1
    24   20   21 2
    25   21   22 1
    26   24   25 1
    27   24   26 1
    28   26   27 1
    29    1   28 1
    30    5   29 1
    31    5   30 1
    32    6   31 1
    33    6   32 1
    34   10   33 1
    35   16   34 1
    36   17   35 1
    37   19   36 1
    38   21   37 1
    39   22   38 1
    40   23   39 1
    41   24   40 1
    42   24   41 1
    43   26   42 1
    44   26   43 1
    45   27   44 1
    46   27   45 1
    47   27   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0153
  Crash		| -0.8024
  Polar		| 5.9562
  FragIndex	| 1
  FragRMSD	| 0.495