@<TRIPOS>MOLECULE
BindingDB_18920
 39 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         4.8525   18.4987   31.2154  C     
2    C         4.4264   19.5533   32.0548  C     
3    C         5.3680   20.1958   32.8938  C     
4    C         6.7240   19.8238   32.8411  C     
5    C         7.1695   18.8006   31.9750  C     
6    C         6.2135   18.1356   31.1740  C     
7    C         8.6098   18.4263   31.9139  C     
8    C         9.0838   17.9331   33.2167  C     
9    O        10.2374   18.3944   33.7541  O     
10   O         8.4790   16.8720   33.7955  O     
11   O         3.1021   19.9047   32.0495  O     
12   C         2.8185   21.0872   31.4097  C     
13   C         2.0585   22.0327   32.1198  C     
14   C         1.7229   23.2786   31.5413  C     
15   C         2.1230   23.5630   30.2136  C     
16   C         2.8644   22.6092   29.4917  C     
17   C         3.2031   21.3777   30.0812  C     
18   O         1.8136   24.7580   29.6405  O     
19   Cl        3.7434   17.6430   30.2632  Cl    
20   Cl        4.9060   21.4102   33.9865  Cl    
21   C         1.0083   24.2285   32.3070  C     
22   C        -0.9728   25.6069   32.6801  C     
23   C        -0.4217   26.0756   33.8882  C     
24   C         0.8516   25.6427   34.2912  C     
25   C         1.5602   24.7160   33.5130  C     
26   C        -0.2599   24.6910   31.8893  C     
27   H         7.3989   20.3031   33.4425  H     
28   H         6.5095   17.3850   30.5437  H     
29   H         8.7933   17.6428   31.1761  H     
30   H         9.1877   19.3006   31.6090  H     
31   H         1.7590   21.8123   33.0748  H     
32   H         3.1552   22.8053   28.5353  H     
33   H         3.7429   20.6940   29.5485  H     
34   H         2.3470   24.8178   28.8107  H     
35   H        -1.8973   25.9260   32.3729  H     
36   H        -0.9420   26.7227   34.4772  H     
37   H         1.2575   25.9912   35.1581  H     
38   H         2.4778   24.4037   33.8358  H     
39   H        -0.6833   24.3528   31.0223  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   19 1
     4    2    3 1
     5    2   11 1
     6    3    4 2
     7    3   20 1
     8    4    5 1
     9    5    6 2
    10    5    7 1
    11    7    8 1
    12    8    9 2
    13    8   10 1
    14   11   12 1
    15   12   13 1
    16   12   17 2
    17   13   14 2
    18   14   15 1
    19   14   21 1
    20   15   16 2
    21   15   18 1
    22   16   17 1
    23   21   25 2
    24   21   26 1
    25   22   23 1
    26   22   26 2
    27   23   24 2
    28   24   25 1
    29    4   27 1
    30    6   28 1
    31    7   29 1
    32    7   30 1
    33   13   31 1
    34   16   32 1
    35   17   33 1
    36   18   34 1
    37   22   35 1
    38   23   36 1
    39   24   37 1
    40   25   38 1
    41   26   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.8748
  Crash		| -2.8293
  Polar		| 5.2801
  FragIndex	| 1
  FragRMSD	| 0.836