@<TRIPOS>MOLECULE
BindingDB_18937
 45 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         4.9140   18.3561   31.1940  C     
2    C         4.4222   19.3305   32.0898  C     
3    C         5.3264   19.9931   32.9626  C     
4    C         6.7028   19.7099   32.8858  C     
5    C         7.2065   18.7510   31.9758  C     
6    C         6.2909   18.0772   31.1383  C     
7    C         8.6657   18.4579   31.8996  C     
8    C         9.2212   18.0002   33.1820  C     
9    O        10.3756   18.5168   33.6579  O     
10   O         8.5754   17.0939   33.9415  O     
11   O         3.0756   19.5639   32.1188  O     
12   C         2.6969   20.7666   31.5793  C     
13   C         1.9499   21.6231   32.4058  C     
14   C         1.5116   22.9011   31.9765  C     
15   C         1.8454   23.2889   30.6419  C     
16   C         2.5543   22.4126   29.7879  C     
17   C         2.9742   21.1589   30.2531  C     
18   O         1.4862   24.4906   30.1104  O     
19   Cl        3.8701   17.4907   30.1746  Cl    
20   Cl        4.7968   21.1126   34.1207  Cl    
21   C         0.7751   23.7528   32.9850  C     
22   C        -0.7005   25.6349   31.8966  C     
23   C         0.2000   26.6852   32.5886  C     
24   C         1.6456   26.2039   32.8336  C     
25   C         1.6517   24.8787   33.6255  C     
26   C        -0.6488   24.2532   32.5853  C     
27   H         7.3515   20.2000   33.5129  H     
28   H         6.6307   17.3722   30.4767  H     
29   H         8.8722   17.6843   31.1588  H     
30   H         9.1784   19.3622   31.5723  H     
31   H         1.7462   21.3026   33.3543  H     
32   H         2.7594   22.6825   28.8190  H     
33   H         3.4855   20.5306   29.6238  H     
34   H         1.9279   24.5765   29.2291  H     
35   H         0.5459   23.0933   33.8280  H     
36   H        -1.7317   25.9951   31.9241  H     
37   H        -0.4218   25.5263   30.8486  H     
38   H         0.2228   27.5827   31.9765  H     
39   H        -0.2318   26.9457   33.5577  H     
40   H         2.1682   26.0665   31.8929  H     
41   H         2.1949   26.9608   33.3985  H     
42   H         1.2637   25.0950   34.6255  H     
43   H         2.6811   24.5301   33.7567  H     
44   H        -1.1361   23.5164   31.9429  H     
45   H        -1.2569   24.3230   33.4988  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 1
    24   21   26 1
    25   22   23 1
    26   22   26 1
    27   23   24 1
    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   21   35 1
    38   22   36 1
    39   22   37 1
    40   23   38 1
    41   23   39 1
    42   24   40 1
    43   24   41 1
    44   25   42 1
    45   25   43 1
    46   26   44 1
    47   26   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.8177
  Crash		| -4.0003
  Polar		| 4.6878
  FragIndex	| 1
  FragRMSD	| 0.904