@<TRIPOS>MOLECULE
BindingDB_11442
 32 34 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.7732   29.1803   28.4161  C     
2    C        25.4396   28.1408   27.8489  C     
3    C        26.6172   28.3618   27.1816  C     
4    C        26.5185   30.6071   27.7157  C     
5    C        26.8273   31.9501   27.7969  C     
6    C        25.7841   32.5126   28.5171  C     
7    N        25.3479   30.4059   28.3662  N     
8    N        24.9147   31.5382   28.8415  N     
9    N        27.1502   29.5746   27.1083  N     
10   Cl       27.4088   27.1080   26.4354  Cl    
11   N        23.6190   29.0225   29.0913  N     
12   C        22.6259   28.1172   28.8885  C     
13   C        20.6744   26.9469   29.8039  C     
14   C        20.5714   26.1630   28.6333  C     
15   C        21.4720   26.3964   27.5744  C     
16   C        22.4774   27.3686   27.6980  C     
17   C        21.6836   27.9202   29.9256  C     
18   C        19.9919   23.3470   27.9916  C     
19   S        19.3283   24.9521   28.4635  S     
20   O        18.4315   24.7793   29.7662  O     
21   O        18.3740   25.4285   27.2855  O     
22   H        25.0713   27.2129   27.9078  H     
23   H        27.6374   32.4217   27.3946  H     
24   H        25.6837   33.5001   28.7559  H     
25   H        23.4584   29.6423   29.8215  H     
26   H        20.0300   26.8045   30.5833  H     
27   H        21.3990   25.8651   26.7039  H     
28   H        23.1094   27.5390   26.9090  H     
29   H        21.7518   28.4610   30.7947  H     
30   H        20.5259   23.4251   27.0470  H     
31   H        19.1684   22.6424   27.8870  H     
32   H        20.6731   22.9899   28.7630  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    1   11 1
     4    2    3 1
     5    3    9 2
     6    3   10 1
     7    4    5 2
     8    4    7 1
     9    4    9 1
    10    5    6 1
    11    6    8 2
    12    7    8 1
    13   11   12 1
    14   12   16 2
    15   12   17 1
    16   13   14 1
    17   13   17 2
    18   14   15 2
    19   14   19 1
    20   15   16 1
    21   18   19 1
    22   19   20 2
    23   19   21 2
    24    2   22 1
    25    5   23 1
    26    6   24 1
    27   11   25 1
    28   13   26 1
    29   15   27 1
    30   16   28 1
    31   17   29 1
    32   18   30 1
    33   18   31 1
    34   18   32 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.6084
  Crash		| -1.1025
  Polar		| 4.3453
  FragIndex	| 1
  FragRMSD	| 0.158