@<TRIPOS>MOLECULE
BindingDB_24666
 20 21 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        60.3613   53.6582   18.1022  C     
2    C        58.2795   54.2625   16.9439  C     
3    C        59.6490   54.4811   17.1975  C     
4    C        59.6561   52.6178   18.7572  C     
5    C        58.2979   52.3906   18.5027  C     
6    C        57.6044   53.2089   17.5968  C     
7    C        61.7465   53.8525   18.3763  C     
8    C        63.7254   53.5735   19.2336  C     
9    C        62.6097   54.8194   17.8607  C     
10   N        62.4731   53.0881   19.2146  N     
11   N        63.8134   54.6187   18.4050  N     
12   S        55.9095   52.9411   17.3481  S     
13   H        57.7908   54.8725   16.2885  H     
14   H        60.1094   55.2555   16.7186  H     
15   H        60.1204   52.0179   19.4433  H     
16   H        57.8212   51.6297   18.9974  H     
17   H        64.4976   53.2065   19.7901  H     
18   H        62.3904   55.5452   17.1779  H     
19   H        64.6258   55.1215   18.2287  H     
20   H        56.0072   51.5881   17.4766  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    6   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    5   16 1
    18    8   17 1
    19    9   18 1
    20   11   19 1
    21   12   20 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.9883
  Crash		| -1.9872
  Polar		| 1.7918
  FragIndex	| 1
  FragRMSD	| 0.433