@<TRIPOS>MOLECULE
BindingDB_7133
 30 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.5420   45.9426   22.3312  C     
2    C        12.8025   45.9381   23.5002  C     
3    C        11.6383   46.6563   23.2283  C     
4    N        12.8267   46.6326   21.4291  N     
5    N        11.7123   47.0589   21.9442  N     
6    N        10.5764   46.9543   24.0208  N     
7    C        10.3101   46.5045   25.2453  C     
8    O        11.0125   45.6499   25.7763  O     
9    C        14.8992   45.4047   22.1460  C     
10   C        15.2746   44.0342   22.7402  C     
11   C        14.9946   44.1691   21.2432  C     
12   C         9.1626   46.9221   25.9051  C     
13   C         8.7381   48.2755   25.8529  C     
14   C         8.3996   46.0018   26.6686  C     
15   C         7.2388   46.4122   27.3436  C     
16   C         6.8326   47.7550   27.2825  C     
17   C         7.5856   48.6910   26.5473  C     
18   Br        7.0651   50.4790   26.5117  Br    
19   H        13.0909   45.5254   24.3846  H     
20   H        13.1100   46.8035   20.5191  H     
21   H         9.9123   47.5431   23.6214  H     
22   H        15.7175   46.1112   22.0012  H     
23   H        16.3261   43.8982   23.0125  H     
24   H        14.5044   43.4972   23.3021  H     
25   H        14.0652   43.6934   20.9263  H     
26   H        15.8780   44.0897   20.6079  H     
27   H         9.2813   48.9737   25.3391  H     
28   H         8.6678   45.0169   26.7181  H     
29   H         6.6849   45.7316   27.8706  H     
30   H         5.9842   48.0513   27.7710  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   17   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   16   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0972
  Crash		| -0.6183
  Polar		| 3.3654
  FragIndex	| 1
  FragRMSD	| 0.545