@<TRIPOS>MOLECULE
BindingDB_13806
 22 23 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        45.2839   12.3401    1.1650  C     
2    C        46.6284   12.4000    1.5742  C     
3    C        47.0411   13.3940    2.4851  C     
4    C        46.1325   14.3536    3.0085  C     
5    C        44.7766   14.2478    2.5951  C     
6    C        44.3577   13.2609    1.6824  C     
7    O        47.5145   11.4960    1.0806  O     
8    C        46.5494   15.3581    3.9007  C     
9    C        47.6716   16.0913    3.8244  C     
10   S        45.6941   15.8528    5.2916  S     
11   O        45.6070   14.6276    6.2993  O     
12   O        44.3657   16.6078    4.8560  O     
13   N        46.8844   16.9510    5.7131  N     
14   C        47.8447   16.9693    4.8257  C     
15   O        48.8005   17.7245    4.9171  O     
16   H        44.9763   11.6254    0.5005  H     
17   H        48.0209   13.3937    2.7711  H     
18   H        44.0667   14.8973    2.9385  H     
19   H        43.3761   13.2123    1.3934  H     
20   H        48.3541   11.6550    1.5658  H     
21   H        48.3224   16.0250    3.0786  H     
22   H        46.8478   17.5282    6.4928  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2    7 1
     5    3    4 1
     6    4    5 2
     7    4    8 1
     8    5    6 1
     9    8    9 2
    10    8   10 1
    11    9   14 1
    12   10   11 2
    13   10   12 2
    14   10   13 1
    15   13   14 1
    16   14   15 2
    17    1   16 1
    18    3   17 1
    19    5   18 1
    20    6   19 1
    21    7   20 1
    22    9   21 1
    23   13   22 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.5686
  Crash		| -2.1165
  Polar		| 3.9821
  FragIndex	| 1
  FragRMSD	| 0.166