@<TRIPOS>MOLECULE
BindingDB_24665
 20 21 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        60.0674   53.7029   17.9795  C     
2    C        58.1214   54.5057   16.7212  C     
3    C        59.4793   54.6137   17.0711  C     
4    C        59.2468   52.6822   18.5268  C     
5    C        57.8822   52.5713   18.1834  C     
6    C        57.3257   53.4787   17.2608  C     
7    C        61.4391   53.8033   18.3527  C     
8    C        63.3642   53.2879   19.2599  C     
9    C        62.3933   54.7721   18.0011  C     
10   N        62.0853   52.8949   19.1161  N     
11   N        63.5558   54.4271   18.5724  N     
12   S        56.9554   51.2924   18.9270  S     
13   H        57.7071   55.1659   16.0609  H     
14   H        60.0254   55.3727   16.6553  H     
15   H        59.6475   52.0135   19.1888  H     
16   H        56.3419   53.4110   16.9957  H     
17   H        64.0831   52.7835   19.7870  H     
18   H        62.2553   55.6074   17.4224  H     
19   H        64.4035   54.9118   18.5070  H     
20   H        55.7304   51.7262   18.5244  H     
@<TRIPOS>BOND
     1    1    3 2
     2    1    4 1
     3    1    7 1
     4    2    3 1
     5    2    6 2
     6    4    5 2
     7    5    6 1
     8    5   12 1
     9    7    9 2
    10    7   10 1
    11    8   10 2
    12    8   11 1
    13    9   11 1
    14    2   13 1
    15    3   14 1
    16    4   15 1
    17    6   16 1
    18    8   17 1
    19    9   18 1
    20   11   19 1
    21   12   20 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2448
  Crash		| -0.3769
  Polar		| 2.6659
  FragIndex	| 1
  FragRMSD	| 0.136