@<TRIPOS>MOLECULE
BindingDB_15682
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.5741   33.5764   60.6783  C     
2    C         8.4831   33.2137   58.6381  C     
3    C         9.0480   34.4850   58.9846  C     
4    N         7.6789   32.6923   59.5623  N     
5    C         7.0943   31.3527   59.6120  C     
6    C         6.3976   30.7085   57.1797  C     
7    C         4.8996   30.8180   57.5683  C     
8    C         4.6884   31.7840   58.7624  C     
9    C         5.5694   31.3631   59.9685  C     
10   C         7.3121   30.3973   58.3996  C     
11   O         8.8400   32.6542   57.6085  O     
12   C         8.6962   34.6314   60.4831  C     
13   C         9.8697   34.4481   61.3466  C     
14   O        10.2554   35.3880   62.0332  O     
15   N        10.4879   33.2741   61.3975  N     
16   C        11.6461   32.9574   62.0456  C     
17   C        14.0587   32.1338   63.2825  C     
18   C        14.0107   33.3436   62.5651  C     
19   C        12.8119   33.7552   61.9527  C     
20   C        11.7123   31.7358   62.7603  C     
21   C        12.9054   31.3237   63.3745  C     
22   Cl       12.9393   29.8517   64.2192  Cl    
23   F        15.1831   31.7793   63.8363  F     
24   H         6.5978   34.0723   60.6671  H     
25   H         7.6929   33.0492   61.6298  H     
26   H        10.1277   34.4989   58.7973  H     
27   H         8.5746   35.2764   58.3891  H     
28   H         7.5936   30.8642   60.4590  H     
29   H         6.5127   29.9145   56.4388  H     
30   H         6.7011   31.6447   56.7096  H     
31   H         4.3232   31.1835   56.7134  H     
32   H         4.5131   29.8275   57.8372  H     
33   H         4.9469   32.8067   58.4620  H     
34   H         3.6334   31.7742   59.0597  H     
35   H         5.2677   30.3559   60.2774  H     
36   H         5.3574   32.0204   60.8176  H     
37   H         8.3547   30.4388   58.0856  H     
38   H         7.1051   29.3667   58.7238  H     
39   H         8.2817   35.6334   60.6572  H     
40   H        10.0295   32.5232   60.9699  H     
41   H        14.8475   33.9260   62.4803  H     
42   H        12.8039   34.6226   61.4051  H     
43   H        10.8759   31.1506   62.8257  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   19 2
    19   16   20 1
    20   17   18 2
    21   17   21 1
    22   17   23 1
    23   18   19 1
    24   20   21 2
    25   21   22 1
    26    1   24 1
    27    1   25 1
    28    3   26 1
    29    3   27 1
    30    5   28 1
    31    6   29 1
    32    6   30 1
    33    7   31 1
    34    7   32 1
    35    8   33 1
    36    8   34 1
    37    9   35 1
    38    9   36 1
    39   10   37 1
    40   10   38 1
    41   12   39 1
    42   15   40 1
    43   18   41 1
    44   19   42 1
    45   20   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3553
  Crash		| -0.9710
  Polar		| 1.1571
  FragIndex	| 1
  FragRMSD	| 1.140