@<TRIPOS>MOLECULE
BindingDB_7129
 30 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.5917   45.9925   22.3598  C     
2    C        12.8197   45.9226   23.5080  C     
3    C        11.6305   46.5893   23.2240  C     
4    N        12.8696   46.6744   21.4613  N     
5    N        11.7262   47.0317   21.9561  N     
6    N        10.5380   46.8405   23.9882  N     
7    C        10.2694   46.4271   25.2253  C     
8    O        11.0149   45.6226   25.7731  O     
9    C        14.9635   45.4866   22.1771  C     
10   C        15.3766   44.1452   22.8051  C     
11   C        15.0875   44.2285   21.3028  C     
12   C         9.1285   46.8598   25.9169  C     
13   C         8.4526   48.0604   25.5671  C     
14   C         8.6162   46.1189   27.0219  C     
15   C         7.4713   46.5427   27.7220  C     
16   C         6.8169   47.7310   27.3523  C     
17   C         7.3161   48.4929   26.2744  C     
18   Cl        5.4334   48.2342   28.1914  Cl    
19   H        13.0996   45.4965   24.3900  H     
20   H        13.1634   46.8858   20.5625  H     
21   H         9.8626   47.3927   23.5647  H     
22   H        15.7611   46.2118   21.9977  H     
23   H        16.4332   44.0484   23.0727  H     
24   H        14.6216   43.6124   23.3888  H     
25   H        14.1709   43.7195   20.9978  H     
26   H        15.9725   44.1512   20.6701  H     
27   H         8.7950   48.6532   24.8043  H     
28   H         9.0580   45.2406   27.3150  H     
29   H         7.1156   45.9783   28.5015  H     
30   H         6.8527   49.3620   25.9985  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1    9 1
     4    2    3 1
     5    3    5 2
     6    3    6 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7   12 1
    11    9   10 1
    12    9   11 1
    13   10   11 1
    14   12   13 2
    15   12   14 1
    16   13   17 1
    17   14   15 2
    18   15   16 1
    19   16   17 2
    20   16   18 1
    21    2   19 1
    22    4   20 1
    23    6   21 1
    24    9   22 1
    25   10   23 1
    26   10   24 1
    27   11   25 1
    28   11   26 1
    29   13   27 1
    30   14   28 1
    31   15   29 1
    32   17   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.9691
  Crash		| -0.5857
  Polar		| 3.3710
  FragIndex	| 1
  FragRMSD	| 0.539