@<TRIPOS>MOLECULE
BindingDB_18926
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.0288   18.3948   31.0495  C     
2    C         4.6059   19.4708   31.8600  C     
3    C         5.5118   20.0615   32.7758  C     
4    C         6.8549   19.6424   32.7841  C     
5    C         7.3056   18.6149   31.9264  C     
6    C         6.3704   17.9761   31.0823  C     
7    C         8.7369   18.2252   31.9099  C     
8    C         9.1689   17.7817   33.2435  C     
9    O        10.3232   18.2428   33.7729  O     
10   O         8.4873   16.8134   33.8961  O     
11   O         3.3236   19.9234   31.7139  O     
12   C         3.1957   21.2061   31.2360  C     
13   C         2.2802   22.0132   31.9231  C     
14   C         2.0120   23.3408   31.5166  C     
15   C         2.7103   23.8841   30.4154  C     
16   C         3.6566   23.0916   29.7405  C     
17   C         3.8838   21.7548   30.1294  C     
18   O         2.4460   25.1514   29.9918  O     
19   Cl        3.9524   17.6128   29.9943  Cl    
20   Cl        5.0471   21.2977   33.8390  Cl    
21   C         0.9702   24.0370   32.1756  C     
22   C        -1.3410   23.9616   33.0208  C     
23   C        -1.1494   25.2478   33.5634  C     
24   C         0.0696   25.9339   33.4006  C     
25   C         1.1361   25.3303   32.7125  C     
26   C        -0.2804   23.3863   32.3020  C     
27   C        -2.7238   21.9753   32.8249  C     
28   O        -2.5721   23.3658   33.1602  O     
29   H         7.5103   20.0955   33.4216  H     
30   H         6.6748   17.2175   30.4684  H     
31   H         8.9308   17.4164   31.2028  H     
32   H         9.3308   19.0853   31.5905  H     
33   H         1.7857   21.6107   32.7278  H     
34   H         4.1785   23.4882   28.9561  H     
35   H         4.5571   21.1889   29.6117  H     
36   H         2.5630   25.1562   29.0165  H     
37   H        -1.9110   25.6912   34.0752  H     
38   H         0.1874   26.8727   33.7969  H     
39   H         2.0203   25.8334   32.6206  H     
40   H        -0.4211   22.4672   31.8728  H     
41   H        -2.6548   21.8306   31.7497  H     
42   H        -3.7141   21.6277   33.1457  H     
43   H        -1.9632   21.3692   33.3182  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   22   28 1
    28   23   24 2
    29   24   25 1
    30   27   28 1
    31    4   29 1
    32    6   30 1
    33    7   31 1
    34    7   32 1
    35   13   33 1
    36   16   34 1
    37   17   35 1
    38   18   36 1
    39   23   37 1
    40   24   38 1
    41   25   39 1
    42   26   40 1
    43   27   41 1
    44   27   42 1
    45   27   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.4064
  Crash		| -5.2211
  Polar		| 5.3497
  FragIndex	| 1
  FragRMSD	| 0.997