@<TRIPOS>MOLECULE
BindingDB_7140
 30 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.4145   45.8685   22.1813  C     
2    C        12.6533   45.6772   23.3322  C     
3    C        11.4881   46.4483   23.2031  C     
4    N        12.6983   46.7138   21.4208  N     
5    N        11.5869   47.0435   22.0000  N     
6    N        10.4336   46.6622   24.0525  N     
7    C        10.3131   46.3076   25.3432  C     
8    O        11.2505   45.6830   25.8356  O     
9    C        14.7019   45.2637   21.7630  C     
10   C        15.8991   45.3950   22.7223  C     
11   C        15.2920   44.0144   22.4456  C     
12   C         9.2048   46.6454   26.1727  C     
13   C         8.3517   47.7545   25.8646  C     
14   C         8.8783   45.9374   27.3775  C     
15   C         7.7159   46.2217   28.1213  C     
16   C         6.8445   47.2427   27.7196  C     
17   C         7.1731   48.0283   26.5999  C     
18   Cl        8.7805   48.9276   24.7195  Cl    
19   Cl        9.8393   44.7126   28.0711  Cl    
20   H        12.9036   45.0576   24.1052  H     
21   H        12.9747   47.0346   20.5504  H     
22   H         9.6900   47.1952   23.6915  H     
23   H        14.9675   45.3362   20.7080  H     
24   H        16.8728   45.5709   22.2590  H     
25   H        15.7134   45.7624   23.7349  H     
26   H        14.8013   43.5831   23.3182  H     
27   H        15.9079   43.3658   21.8161  H     
28   H         7.4820   45.6850   28.9686  H     
29   H         5.9958   47.4366   28.2501  H     
30   H         6.5652   48.8198   26.3549  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   14   19 1
    20   15   16 1
    21   16   17 2
    22    2   20 1
    23    4   21 1
    24    6   22 1
    25    9   23 1
    26   10   24 1
    27   10   25 1
    28   11   26 1
    29   11   27 1
    30   15   28 1
    31   16   29 1
    32   17   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0258
  Crash		| -2.0636
  Polar		| 3.3912
  FragIndex	| 1
  FragRMSD	| 0.441