@<TRIPOS>MOLECULE
BindingDB_15654
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.8296   33.2076   60.7028  C     
2    C         8.5695   33.0227   58.5659  C     
3    C         9.0617   34.3192   58.9364  C     
4    N         7.8558   32.4105   59.5114  N     
5    C         7.2515   31.0740   59.4788  C     
6    C         6.4314   30.6618   57.0266  C     
7    C         4.9622   30.7534   57.5031  C     
8    C         4.8293   31.6129   58.7850  C     
9    C         5.7450   31.0660   59.9055  C     
10   C         7.3853   30.2220   58.1716  C     
11   O         8.8230   32.6018   57.4441  O     
12   C         8.7558   34.4254   60.4472  C     
13   C         9.9544   34.4555   61.2842  C     
14   O        10.2162   35.4817   61.9031  O     
15   N        10.7653   33.4075   61.3386  N     
16   C        11.9372   33.3496   62.0187  C     
17   C        13.2439   32.5076   63.8959  C     
18   C        12.0148   32.6283   63.2249  C     
19   C        13.0992   33.9475   61.4843  C     
20   C        14.3267   33.8322   62.1615  C     
21   C        14.4020   33.1127   63.3694  C     
22   Cl       15.8714   33.0000   64.1997  Cl    
23   H         6.8196   33.5705   60.8956  H     
24   H         8.1447   32.6146   61.5666  H     
25   H        10.1317   34.4140   58.7144  H     
26   H         8.5151   35.0811   58.3705  H     
27   H         7.7861   30.5144   60.2544  H     
28   H         6.5014   29.9515   56.1990  H     
29   H         6.7256   31.6357   56.6388  H     
30   H         4.3506   31.1921   56.7116  H     
31   H         4.5854   29.7465   57.7021  H     
32   H         5.0987   32.6489   58.5684  H     
33   H         3.7924   31.5968   59.1231  H     
34   H         5.4388   30.0409   60.1380  H     
35   H         5.5844   31.6412   60.8174  H     
36   H         8.4148   30.2326   57.8178  H     
37   H         7.1506   29.1756   58.4055  H     
38   H         8.1818   35.3445   60.6151  H     
39   H        10.5025   32.6018   60.8619  H     
40   H        13.2953   31.9715   64.7628  H     
41   H        11.1784   32.1832   63.6125  H     
42   H        13.0554   34.4510   60.5947  H     
43   H        15.1624   34.2669   61.7630  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   12 1
     3    2    3 1
     4    2    4 1
     5    2   11 2
     6    3   12 1
     7    4    5 1
     8    5    9 1
     9    5   10 1
    10    6    7 1
    11    6   10 1
    12    7    8 1
    13    8    9 1
    14   12   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   18 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   19   20 1
    23   20   21 2
    24   21   22 1
    25    1   23 1
    26    1   24 1
    27    3   25 1
    28    3   26 1
    29    5   27 1
    30    6   28 1
    31    6   29 1
    32    7   30 1
    33    7   31 1
    34    8   32 1
    35    8   33 1
    36    9   34 1
    37    9   35 1
    38   10   36 1
    39   10   37 1
    40   12   38 1
    41   15   39 1
    42   17   40 1
    43   18   41 1
    44   19   42 1
    45   20   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1801
  Crash		| -1.0689
  Polar		| 1.4300
  FragIndex	| 1
  FragRMSD	| 1.294