@<TRIPOS>MOLECULE
BindingDB_25902
 31 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.6800    6.7148   15.2819  C     
2    C        16.4150    6.5200   14.0850  C     
3    C        16.7113    5.1837   13.6797  C     
4    C        16.2855    4.1103   14.5053  C     
5    C        15.5824    4.3228   15.7101  C     
6    C        15.2828    5.6477   16.1057  C     
7    N        13.5677    2.9605   17.3235  N     
8    S        15.1101    2.9339   16.6611  S     
9    O        15.2554    1.5433   15.9099  O     
10   O        16.0969    2.8328   17.9029  O     
11   C        17.4156    4.8643   12.4822  C     
12   O        17.2941    5.6120   11.3577  O     
13   O        18.0951    3.7014   12.3428  O     
14   Cl       14.4987    6.0409   17.5591  Cl    
15   N        16.8655    7.5790   13.3498  N     
16   C        16.7452    8.9759   13.6368  C     
17   C        17.6191    9.3641   14.7597  C     
18   C        19.0004    9.5223   14.7126  C     
19   C        19.4198    9.8357   15.9964  C     
20   C        18.2829    9.8543   16.7932  C     
21   O        17.2022    9.5767   16.0327  O     
22   H        15.4395    7.6575   15.5916  H     
23   H        16.4858    3.1507   14.2218  H     
24   H        13.4613    2.9087   18.2860  H     
25   H        12.7910    2.8799   16.7496  H     
26   H        17.3477    7.3757   12.5364  H     
27   H        17.0499    9.5404   12.7554  H     
28   H        15.7043    9.2317   13.8468  H     
29   H        19.5999    9.4303   13.8863  H     
30   H        20.3776   10.0200   16.2952  H     
31   H        18.2602   10.0442   17.7958  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   15 1
     5    3    4 2
     6    3   11 1
     7    4    5 1
     8    5    6 2
     9    5    8 1
    10    6   14 1
    11    7    8 am
    12    8    9 2
    13    8   10 2
    14   11   12 2
    15   11   13 1
    16   15   16 1
    17   16   17 1
    18   17   18 2
    19   17   21 1
    20   18   19 1
    21   19   20 2
    22   20   21 1
    23    1   22 1
    24    4   23 1
    25    7   24 1
    26    7   25 1
    27   15   26 1
    28   16   27 1
    29   16   28 1
    30   18   29 1
    31   19   30 1
    32   20   31 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.6372
  Crash		| -0.9334
  Polar		| 5.6884
  FragIndex	| 1
  FragRMSD	| 0.837