@<TRIPOS>MOLECULE
BindingDB_7137
 30 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.6744   45.9663   22.2582  C     
2    C        12.9659   46.0514   23.4416  C     
3    C        11.7600   46.6822   23.1362  C     
4    N        12.9138   46.5503   21.3206  N     
5    N        11.7893   46.9684   21.8207  N     
6    N        10.6910   46.9899   23.9168  N     
7    C        10.5149   46.7445   25.2175  C     
8    O        11.3869   46.1488   25.8326  O     
9    C        15.0141   45.3837   22.0713  C     
10   C        15.3370   44.0224   22.7117  C     
11   C        15.0796   44.1152   21.2070  C     
12   C         9.3654   47.1681   25.9045  C     
13   C         8.8635   46.5154   27.0752  C     
14   C         8.6565   48.3148   25.4553  C     
15   C         7.4895   48.7626   26.0897  C     
16   C         6.9873   48.0790   27.2077  C     
17   C         7.6825   46.9661   27.6965  C     
18   Br        9.6615   45.0332   27.8824  Br    
19   H        13.2831   45.7134   24.3442  H     
20   H        13.1734   46.6493   20.3893  H     
21   H         9.9644   47.4372   23.4610  H     
22   H        15.8588   46.0554   21.9165  H     
23   H        16.3792   43.8559   22.9955  H     
24   H        14.5427   43.5155   23.2735  H     
25   H        14.1345   43.6659   20.8894  H     
26   H        15.9671   43.9723   20.5919  H     
27   H         9.0005   48.8709   24.6685  H     
28   H         7.0076   49.5978   25.7473  H     
29   H         6.1352   48.4024   27.6693  H     
30   H         7.3228   46.4816   28.5244  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   13   18 1
    18   14   15 2
    19   15   16 1
    20   16   17 2
    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   14   27 1
    30   15   28 1
    31   16   29 1
    32   17   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8377
  Crash		| -1.5930
  Polar		| 3.2974
  FragIndex	| 1
  FragRMSD	| 0.656