@<TRIPOS>MOLECULE
BindingDB_7142
 33 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.5589   45.8139   22.2575  C     
2    C        12.8036   45.7757   23.4277  C     
3    C        11.6352   46.4919   23.1655  C     
4    N        12.8247   46.4962   21.3664  N     
5    N        11.7153   46.9159   21.8911  N     
6    N        10.5740   46.8043   23.9458  N     
7    C        10.2776   46.3948   25.1730  C     
8    O        10.9767   45.5507   25.7238  O     
9    C         9.1481   46.8758   25.8428  C     
10   C         8.7005   48.2131   25.6724  C     
11   C         8.4126   46.0404   26.7325  C     
12   C         7.2789   46.5179   27.4161  C     
13   C         6.8594   47.8460   27.2289  C     
14   C         7.5714   48.6972   26.3578  C     
15   C        14.9251   45.2869   21.9993  C     
16   C        16.0323   45.8439   22.9212  C     
17   C        16.3551   44.4188   23.4059  C     
18   C        15.2516   43.8539   22.4849  C     
19   Br        5.3611   48.4780   28.1247  Br    
20   H        13.0852   45.3532   24.3095  H     
21   H        13.1104   46.6906   20.4594  H     
22   H         9.9199   47.3869   23.5344  H     
23   H         9.2090   48.8583   25.0608  H     
24   H         8.6945   45.0676   26.8808  H     
25   H         6.7560   45.8927   28.0375  H     
26   H         7.2667   49.6684   26.2236  H     
27   H        15.2095   45.4140   20.9512  H     
28   H        16.8627   46.2992   22.3762  H     
29   H        15.6685   46.4813   23.7312  H     
30   H        17.3591   44.0765   23.1338  H     
31   H        16.1414   44.2715   24.4755  H     
32   H        14.4374   43.3679   23.0345  H     
33   H        15.6513   43.2145   21.6894  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1   15 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    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   11   12 2
    15   12   13 1
    16   13   14 2
    17   13   19 1
    18   15   16 1
    19   15   18 1
    20   16   17 1
    21   17   18 1
    22    2   20 1
    23    4   21 1
    24    6   22 1
    25   10   23 1
    26   11   24 1
    27   12   25 1
    28   14   26 1
    29   15   27 1
    30   16   28 1
    31   16   29 1
    32   17   30 1
    33   17   31 1
    34   18   32 1
    35   18   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.2833
  Crash		| -0.6315
  Polar		| 3.3301
  FragIndex	| 1
  FragRMSD	| 0.124