@<TRIPOS>MOLECULE
BindingDB_11628
 29 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.4217    4.0066   13.3023  C     
2    C        -5.0983    2.5082   14.9333  C     
3    S        -5.6287    4.0795   14.5434  S     
4    N        -3.7544    2.8473   13.3212  N     
5    N        -4.1396    2.0618   14.2205  N     
6    N        -7.2295    2.1525   16.7914  N     
7    S        -5.7538    1.5957   16.2144  S     
8    O        -6.0400    0.1351   15.6547  O     
9    O        -4.7064    1.4080   17.3951  O     
10   N        -4.0949    4.9327   12.3777  N     
11   S        -4.6861    6.5060   12.2348  S     
12   O        -4.9750    6.7010   10.6838  O     
13   O        -6.1046    6.7052   12.9237  O     
14   C        -3.5399    7.6839   12.8150  C     
15   C        -2.0902    8.5002   14.6078  C     
16   C        -1.6016    9.5245   13.7637  C     
17   C        -2.0890    9.6231   12.4393  C     
18   C        -3.0532    8.7062   11.9740  C     
19   C        -3.0523    7.5876   14.1330  C     
20   N        -0.6787   10.3967   14.2187  N     
21   Cl       -1.5344    8.3231   16.1970  Cl    
22   Cl       -1.5373   10.8211   11.3712  Cl    
23   H        -7.9638    1.5313   16.9234  H     
24   H        -7.3511    3.0996   16.9832  H     
25   H        -3.3986    4.6832   11.7502  H     
26   H        -3.3934    8.7825   11.0127  H     
27   H        -3.3923    6.8445   14.7498  H     
28   H        -0.3435   11.0995   13.6401  H     
29   H        -0.3461   10.3272   15.1278  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    4 2
     3    1   10 1
     4    2    3 1
     5    2    5 2
     6    2    7 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   11   12 2
    13   11   13 2
    14   11   14 1
    15   14   18 1
    16   14   19 2
    17   15   16 2
    18   15   19 1
    19   15   21 1
    20   16   17 1
    21   16   20 1
    22   17   18 2
    23   17   22 1
    24    6   23 1
    25    6   24 1
    26   10   25 1
    27   18   26 1
    28   19   27 1
    29   20   28 1
    30   20   29 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.9648
  Crash		| -1.0891
  Polar		| 3.3918
  FragIndex	| 1
  FragRMSD	| 1.194