@<TRIPOS>MOLECULE
BindingDB_7138
 30 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.6393   46.0016   22.2686  C     
2    C        12.9275   46.0362   23.4553  C     
3    C        11.7056   46.6342   23.1631  C     
4    N        12.8482   46.5516   21.3338  N     
5    N        11.7166   46.9345   21.8544  N     
6    N        10.6439   46.9231   23.9633  N     
7    C        10.4824   46.6652   25.2607  C     
8    O        11.3523   46.0498   25.8634  O     
9    C        14.9976   45.4688   22.0904  C     
10   C        15.3807   44.1443   22.7717  C     
11   C        15.1094   44.1807   21.2662  C     
12   C         9.3379   47.0845   25.9650  C     
13   C         8.8498   46.4450   27.1483  C     
14   C         8.6209   48.2256   25.5092  C     
15   C         7.4635   48.6823   26.1560  C     
16   C         6.9704   48.0032   27.2814  C     
17   C         7.6705   46.8954   27.7743  C     
18   Cl        9.5936   45.1007   27.8832  Cl    
19   H        13.2761   45.7044   24.3545  H     
20   H        13.0853   46.6666   20.4029  H     
21   H         9.9026   47.3626   23.5159  H     
22   H        15.8104   46.1754   21.9104  H     
23   H        16.4290   44.0020   23.0372  H     
24   H        14.6142   43.6167   23.3447  H     
25   H        14.1775   43.6909   20.9706  H     
26   H        15.9977   44.0669   20.6447  H     
27   H         8.9561   48.7683   24.7062  H     
28   H         6.9799   49.5137   25.8121  H     
29   H         6.1184   48.3245   27.7416  H     
30   H         7.3069   46.4175   28.6061  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	| 6.0499
  Crash		| -1.2998
  Polar		| 3.3359
  FragIndex	| 1
  FragRMSD	| 0.606