@<TRIPOS>MOLECULE
BindingDB_68248
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.3345  -34.4951   -4.7972  C     
2    C        17.3205  -33.4997   -4.7344  C     
3    C        17.1562  -32.7293   -3.5740  C     
4    C        17.9802  -32.9307   -2.4495  C     
5    C        18.9912  -33.9201   -2.5012  C     
6    C        19.1943  -34.7065   -3.6767  C     
7    C        18.4598  -35.2064   -6.0131  C     
8    O        16.5271  -33.2432   -5.8190  O     
9    O        17.8026  -32.1677   -1.3301  O     
10   Cl       19.9085  -34.1545   -1.0867  Cl    
11   O        19.5983  -35.0572   -6.7405  O     
12   O        17.3865  -35.8223   -6.5627  O     
13   C        19.8075  -35.4866   -8.0932  C     
14   C        21.2105  -35.0840   -8.6172  C     
15   C        21.5476  -33.7249   -8.2217  C     
16   C        22.6634  -33.3961   -7.5544  C     
17   C        20.2300  -35.7992   -3.6629  C     
18   C        21.6123  -35.3471   -3.5337  C     
19   C        22.3170  -34.6151   -4.5744  C     
20   C        22.1740  -33.0686   -4.4665  C     
21   C        23.1848  -32.2772   -5.3520  C     
22   C        22.8163  -32.1319   -6.8543  C     
23   O        22.2795  -35.7906   -2.6041  O     
24   H        16.4407  -32.0001   -3.5439  H     
25   H        15.8989  -32.5338   -5.5663  H     
26   H        17.0183  -31.5974   -1.4760  H     
27   H        19.6792  -36.5692   -8.1689  H     
28   H        19.0518  -35.0029   -8.7193  H     
29   H        21.9459  -35.8065   -8.2504  H     
30   H        21.2083  -35.1416   -9.7062  H     
31   H        20.8603  -33.0254   -8.3790  H     
32   H        23.3929  -34.0645   -7.4601  H     
33   H        19.9735  -36.4580   -2.8292  H     
34   H        20.1829  -36.4332   -4.5489  H     
35   H        23.3811  -34.8717   -4.5359  H     
36   H        21.9509  -34.9632   -5.5361  H     
37   H        21.1535  -32.7709   -4.7250  H     
38   H        22.3448  -32.7792   -3.4257  H     
39   H        23.2620  -31.2679   -4.9415  H     
40   H        24.1772  -32.7239   -5.2600  H     
41   H        23.6105  -31.5704   -7.3524  H     
42   H        21.9025  -31.5319   -6.9161  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    2    8 1
     6    3    4 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    5   10 1
    11    6   17 1
    12    7   11 1
    13    7   12 2
    14   11   13 1
    15   13   14 1
    16   14   15 1
    17   15   16 2
    18   16   22 1
    19   17   18 1
    20   18   19 1
    21   18   23 2
    22   19   20 1
    23   20   21 1
    24   21   22 1
    25    3   24 1
    26    8   25 1
    27    9   26 1
    28   13   27 1
    29   13   28 1
    30   14   29 1
    31   14   30 1
    32   15   31 1
    33   16   32 1
    34   17   33 1
    35   17   34 1
    36   19   35 1
    37   19   36 1
    38   20   37 1
    39   20   38 1
    40   21   39 1
    41   21   40 1
    42   22   41 1
    43   22   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6533
  Crash		| -1.8274
  Polar		| 1.4932
  FragIndex	| 1
  FragRMSD	| 0.810