@<TRIPOS>MOLECULE
BindingDB_14775
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.7522   29.3620   51.1336  C     
2    C        14.3124   29.1994   52.4296  C     
3    C        14.2272   27.9787   53.1315  C     
4    C        13.5966   26.8913   52.4703  C     
5    C        13.1428   27.0063   51.1418  C     
6    C        13.2529   28.2335   50.4555  C     
7    O        12.8633   28.3212   49.1437  O     
8    O        13.7828   30.5711   50.4766  O     
9    C        13.9211   28.0405   48.2018  C     
10   C        14.7140   27.8508   54.4323  C     
11   O        15.5665   28.6359   54.8432  O     
12   N        14.1875   26.9552   55.2605  N     
13   C        14.4759   26.8109   56.5827  C     
14   C        13.8340   27.1036   58.9123  C     
15   C        15.9165   26.0747   58.4077  C     
16   C        15.6815   26.1989   57.0216  C     
17   C        13.5346   27.2535   57.5437  C     
18   Cl       12.0630   27.9811   57.1181  Cl    
19   Cl       16.8126   25.5284   55.9490  Cl    
20   N        15.0027   26.5338   59.2950  N     
21   C        13.2796   31.7410   51.1643  C     
22   C        14.1540   32.9490   50.7962  C     
23   C        13.2710   34.1860   51.0369  C     
24   C        11.8088   33.6794   51.1016  C     
25   C        11.8546   32.1739   50.7633  C     
26   H        14.7757   29.9968   52.8647  H     
27   H        13.4832   25.9895   52.9385  H     
28   H        12.7361   26.1968   50.6714  H     
29   H        14.7617   28.7321   48.3141  H     
30   H        13.5133   28.1627   47.1994  H     
31   H        14.2874   27.0117   48.2920  H     
32   H        13.4214   26.4631   54.9312  H     
33   H        13.1837   27.4226   59.6345  H     
34   H        16.7748   25.6329   58.7487  H     
35   H        13.3107   31.6407   52.2547  H     
36   H        15.0450   32.9801   51.4241  H     
37   H        14.4588   32.9029   49.7485  H     
38   H        13.5431   34.6605   51.9841  H     
39   H        13.4027   34.9172   50.2363  H     
40   H        11.4158   33.8114   52.1153  H     
41   H        11.1592   34.2290   50.4121  H     
42   H        11.6872   32.0208   49.6958  H     
43   H        11.0979   31.6104   51.3171  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    8 1
     4    2    3 2
     5    3    4 1
     6    3   10 1
     7    4    5 2
     8    5    6 1
     9    6    7 1
    10    7    9 1
    11    8   21 1
    12   10   11 2
    13   10   12 am
    14   12   13 1
    15   13   16 2
    16   13   17 1
    17   14   17 2
    18   14   20 1
    19   15   16 1
    20   15   20 2
    21   16   19 1
    22   17   18 1
    23   21   22 1
    24   21   25 1
    25   22   23 1
    26   23   24 1
    27   24   25 1
    28    2   26 1
    29    4   27 1
    30    5   28 1
    31    9   29 1
    32    9   30 1
    33    9   31 1
    34   12   32 1
    35   14   33 1
    36   15   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
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7501
  Crash		| -1.0696
  Polar		| 1.0799
  FragIndex	| 1
  FragRMSD	| 0.305