@<TRIPOS>MOLECULE
BindingDB_10882
 26 27 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.8194    5.0343   15.2458  C     
2    C        19.2732    6.0899   14.4225  C     
3    C        18.3559    6.9192   13.7313  C     
4    C        16.9653    6.6719   13.8419  C     
5    O        18.8355    7.9070   12.9293  O     
6    C        18.6916    9.2835   13.3512  C     
7    C        18.8760    9.5278   14.8544  C     
8    C        17.4395    4.8127   15.3773  C     
9    C        16.5322    5.6206   14.6742  C     
10   C        15.5424    3.8463   16.1699  C     
11   S        14.9680    5.0713   15.1000  S     
12   N        16.8888    3.8804   16.1882  N     
13   N        15.1759    1.2618   17.3317  N     
14   O        14.7107    3.4851   18.6641  O     
15   S        14.6045    2.8345   17.2153  S     
16   O        13.0849    2.8400   16.7469  O     
17   H        19.4790    4.4295   15.7265  H     
18   H        20.2801    6.2226   14.3110  H     
19   H        16.3009    7.2318   13.3095  H     
20   H        19.4927    9.8330   12.8161  H     
21   H        17.7206    9.6815   12.9937  H     
22   H        18.0108    9.1517   15.4054  H     
23   H        18.9640   10.5944   15.0247  H     
24   H        19.7777    9.0267   15.2059  H     
25   H        14.7404    0.6580   17.9542  H     
26   H        16.0899    1.0572   17.0783  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    8 1
     3    2    3 1
     4    3    4 2
     5    3    5 1
     6    4    9 1
     7    5    6 1
     8    6    7 1
     9    8    9 2
    10    8   12 1
    11    9   11 1
    12   10   11 1
    13   10   12 2
    14   10   15 1
    15   13   15 am
    16   14   15 2
    17   15   16 2
    18    1   17 1
    19    2   18 1
    20    4   19 1
    21    6   20 1
    22    6   21 1
    23    7   22 1
    24    7   23 1
    25    7   24 1
    26   13   25 1
    27   13   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2169
  Crash		| -0.6142
  Polar		| 0.8623
  FragIndex	| 1
  FragRMSD	| 0.332