@<TRIPOS>MOLECULE
BindingDB_11377
 21 21 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        -7.9897    1.1088   16.8623  O     
2    S        -6.4484    1.2705   17.2135  S     
3    O        -6.3942    1.8341   18.6997  O     
4    N        -5.7185   -0.2401   17.2535  N     
5    O        -5.3548   -0.8010   16.1324  O     
6    C        -5.6738    2.4697   16.2197  C     
7    C        -6.4270    3.5536   15.7287  C     
8    C        -5.8241    4.5266   14.9113  C     
9    C        -4.4541    4.4411   14.5711  C     
10   C        -3.6997    3.3553   15.0813  C     
11   C        -4.3025    2.3806   15.9019  C     
12   C        -3.8452    5.4880   13.7095  C     
13   H        -5.7306   -0.7610   18.0805  H     
14   H        -4.4296   -1.1105   16.3097  H     
15   H        -7.4172    3.6474   15.9587  H     
16   H        -6.3914    5.3056   14.5615  H     
17   H        -2.7014    3.2768   14.8621  H     
18   H        -3.7264    1.6165   16.2629  H     
19   H        -4.3629    5.5248   12.7501  H     
20   H        -2.7884    5.2948   13.5253  H     
21   H        -3.9393    6.4574   14.2005  H     
@<TRIPOS>BOND
     1    1    2 2
     2    2    3 2
     3    2    4 1
     4    2    6 1
     5    4    5 1
     6    6    7 1
     7    6   11 2
     8    7    8 2
     9    8    9 1
    10    9   10 2
    11    9   12 1
    12   10   11 1
    13    4   13 1
    14    5   14 1
    15    7   15 1
    16    8   16 1
    17   10   17 1
    18   11   18 1
    19   12   19 1
    20   12   20 1
    21   12   21 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1083
  Crash		| -0.4651
  Polar		| 2.6309
  FragIndex	| 1
  FragRMSD	| 0.332