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


@<TRIPOS>ATOM
1    O        -8.0441    1.1485   16.9731  O     
2    S        -6.4865    1.3054   17.2750  S     
3    O        -6.4083    1.8536   18.7657  O     
4    N        -5.7756   -0.2141   17.2819  N     
5    O        -5.4786   -0.8003   16.1588  O     
6    C        -5.7070    2.4463   16.2160  C     
7    C        -6.4161    3.5455   15.6897  C     
8    C        -5.7696    4.4760   14.8556  C     
9    C        -4.4033    4.3269   14.5301  C     
10   C        -3.6982    3.2225   15.0579  C     
11   C        -4.3450    2.2912   15.8915  C     
12   C        -3.7435    5.3176   13.6487  C     
13   H        -5.4151   -0.5641   18.1109  H     
14   H        -4.6117   -1.2300   16.3205  H     
15   H        -7.4059    3.6801   15.9156  H     
16   H        -6.3060    5.2663   14.4846  H     
17   H        -2.7064    3.0859   14.8422  H     
18   H        -3.8094    1.5048   16.2692  H     
19   H        -4.2437    5.3391   12.6793  H     
20   H        -2.6887    5.0837   13.4847  H     
21   H        -3.8049    6.3093   14.1003  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	| 4.4263
  Crash		| -0.6471
  Polar		| 2.5433
  FragIndex	| 1
  FragRMSD	| 0.307