@<TRIPOS>MOLECULE
BindingDB_11409
 47 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.2585    3.7374   15.3083  C     
2    C        -3.1734    4.9035   14.6135  C     
3    N        -4.2978    5.4447   14.0304  N     
4    S        -5.6998    5.4481   14.9995  S     
5    O        -5.6039    6.4758   16.2073  O     
6    O        -7.1232    5.5643   14.3001  O     
7    C        -4.4498    3.1646   15.7327  C     
8    C        -5.6590    3.8597   15.6725  C     
9    C        -4.5746    1.8802   16.2973  C     
10   C        -5.8776    1.5319   16.6695  C     
11   S        -6.9047    2.8640   16.3117  S     
12   N        -5.6762   -1.2496   16.4992  N     
13   S        -6.3602    0.0193   17.3624  S     
14   O        -5.6740   -0.0212   18.7951  O     
15   O        -7.9400   -0.1185   17.4845  O     
16   C        -1.8294    5.4921   14.4056  C     
17   C        -4.4280    5.4987   12.5713  C     
18   C        -4.7855    4.1165   11.9581  C     
19   C        -5.4067    6.5813   12.0223  C     
20   C        -1.3873    8.9897   16.0069  C     
21   C        -1.8754    7.5190   15.9182  C     
22   C        -2.2002    7.8325   13.4926  C     
23   C        -1.6655    9.2788   13.6246  C     
24   N        -1.6057    6.9704   14.5541  N     
25   O        -1.9301    9.7946   14.9427  O     
26   H        -2.4250    3.2656   15.5827  H     
27   H        -3.7803    1.2473   16.4238  H     
28   H        -5.3179   -2.0096   16.9829  H     
29   H        -5.3949   -1.1003   15.5826  H     
30   H        -1.1120    5.0467   15.1024  H     
31   H        -1.4660    5.1675   13.4310  H     
32   H        -3.4598    5.7679   12.1439  H     
33   H        -3.9398    3.4400   12.0436  H     
34   H        -5.0229    4.2048   10.8951  H     
35   H        -5.6410    3.6754   12.4695  H     
36   H        -6.4422    6.2421   12.0562  H     
37   H        -5.1684    6.8052   10.9796  H     
38   H        -5.3331    7.5075   12.5882  H     
39   H        -1.7144    9.4243   16.9528  H     
40   H        -0.2945    9.0232   15.9802  H     
41   H        -1.3409    6.9365   16.6708  H     
42   H        -2.9432    7.4780   16.1463  H     
43   H        -3.2816    7.8616   13.6038  H     
44   H        -1.9473    7.4543   12.4988  H     
45   H        -0.5941    9.3092   13.4116  H     
46   H        -2.1743    9.9179   12.9017  H     
47   H        -0.5967    7.0823   14.4267  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    2   16 1
     5    3    4 1
     6    3   17 1
     7    4    5 2
     8    4    6 2
     9    4    8 1
    10    7    8 2
    11    7    9 1
    12    8   11 1
    13    9   10 2
    14   10   11 1
    15   10   13 1
    16   12   13 am
    17   13   14 2
    18   13   15 2
    19   16   24 1
    20   17   18 1
    21   17   19 1
    22   20   21 1
    23   20   25 1
    24   21   24 1
    25   22   23 1
    26   22   24 1
    27   23   25 1
    28    1   26 1
    29    9   27 1
    30   12   28 1
    31   12   29 1
    32   16   30 1
    33   16   31 1
    34   17   32 1
    35   18   33 1
    36   18   34 1
    37   18   35 1
    38   19   36 1
    39   19   37 1
    40   19   38 1
    41   20   39 1
    42   20   40 1
    43   21   41 1
    44   21   42 1
    45   22   43 1
    46   22   44 1
    47   23   45 1
    48   23   46 1
    49   24   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.1693
  Crash		| -1.9154
  Polar		| 1.7315
  FragIndex	| 1
  FragRMSD	| 0.584