@<TRIPOS>MOLECULE
BindingDB_14216
 22 23 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        46.3600   10.7273    1.4460  C     
2    C        45.2227   12.8455    1.2968  C     
3    C        45.9347   13.3230    2.4042  C     
4    C        44.6121   15.2437    1.9803  C     
5    C        45.6118   14.6409    2.7735  C     
6    C        44.0514   16.5273    2.1015  C     
7    O        43.0475   16.9167    1.2814  O     
8    O        44.4734   17.4120    3.0338  O     
9    O        46.1939   15.2722    3.8452  O     
10   C        47.2446   16.1762    3.4560  C     
11   C        47.8719   16.7431    4.6591  C     
12   O        47.1514   17.4979    5.5219  O     
13   O        49.2075   16.9461    4.6483  O     
14   C        45.4163   11.5495    0.8028  C     
15   S        44.1654   14.0952    0.7762  S     
16   C        47.0749   11.2375    2.5515  C     
17   N        46.8439   12.5048    2.9993  N     
18   H        46.5233    9.7688    1.1135  H     
19   H        48.0085   15.6355    2.8917  H     
20   H        46.8748   17.0084    2.8489  H     
21   H        44.8836   11.2070    0.0000  H     
22   H        47.7643   10.6519    3.0148  H     
@<TRIPOS>BOND
     1    1   14 2
     2    1   16 1
     3    2    3 2
     4    2   14 1
     5    2   15 1
     6    3    5 1
     7    3   17 1
     8    4    5 2
     9    4    6 1
    10    4   15 1
    11    5    9 1
    12    6    7 2
    13    6    8 1
    14    9   10 1
    15   10   11 1
    16   11   12 2
    17   11   13 1
    18   16   17 2
    19    1   18 1
    20   10   19 1
    21   10   20 1
    22   14   21 1
    23   16   22 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.4777
  Crash		| -0.7966
  Polar		| 8.4356
  FragIndex	| 1
  FragRMSD	| 1.212