@<TRIPOS>MOLECULE
BindingDB_15653
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.3993   33.6454   60.6668  C     
2    C         8.3834   33.4354   58.6481  C     
3    C         9.2711   34.3209   59.3539  C     
4    N         7.3381   33.0297   59.3678  N     
5    C         6.1302   32.3191   58.9323  C     
6    C         6.6610   29.8235   59.4473  C     
7    C         6.4919   29.4453   57.9563  C     
8    C         6.8258   30.6500   57.0453  C     
9    C         5.9947   31.9078   57.4249  C     
10   C         5.7905   31.0565   59.7983  C     
11   O         8.5722   33.2591   57.4529  O     
12   C         8.8647   34.1257   60.8304  C     
13   C         9.7825   33.2149   61.5251  C     
14   O         9.4703   32.0425   61.6795  O     
15   N        10.9820   33.6792   61.8625  N     
16   C        12.0839   33.0685   62.4072  C     
17   C        13.3730   31.2040   63.3611  C     
18   C        12.1589   31.7345   62.8837  C     
19   C        13.2523   33.8636   62.4735  C     
20   C        14.4643   33.3415   62.9668  C     
21   C        14.5278   32.0035   63.3930  C     
22   Cl       15.8469   34.3135   63.0504  Cl    
23   H         6.7184   34.5026   60.6839  H     
24   H         7.1209   32.9849   61.4863  H     
25   H        10.3206   34.0804   59.1587  H     
26   H         9.0850   35.3516   59.0342  H     
27   H         5.3142   33.0309   59.1011  H     
28   H         6.3600   28.9760   60.0687  H     
29   H         7.7116   30.0420   59.6603  H     
30   H         7.1500   28.6063   57.7124  H     
31   H         5.4610   29.1295   57.7747  H     
32   H         7.8921   30.8612   57.1333  H     
33   H         6.6286   30.3804   56.0052  H     
34   H         4.9431   31.6864   57.2127  H     
35   H         6.2655   32.7405   56.7741  H     
36   H         5.8831   31.2585   60.8638  H     
37   H         4.7410   30.7906   59.6348  H     
38   H         8.8637   35.0849   61.3599  H     
39   H        11.1181   34.6164   61.6467  H     
40   H        13.4184   30.2335   63.6819  H     
41   H        11.3419   31.1268   62.8858  H     
42   H        13.2282   34.8352   62.1493  H     
43   H        15.4128   31.6125   63.7261  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   20   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   21   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6838
  Crash		| -1.2656
  Polar		| 1.7312
  FragIndex	| 1
  FragRMSD	| 0.998