@<TRIPOS>MOLECULE
BindingDB_24674
 20 21 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        60.0235   53.6688   17.9583  C     
2    C        57.9005   52.4227   17.9402  C     
3    C        59.2522   52.5399   18.3279  C     
4    C        59.3927   54.6753   17.1819  C     
5    C        58.0431   54.5631   16.8039  C     
6    C        57.2950   53.4344   17.1765  C     
7    C        61.3881   53.7810   18.3664  C     
8    C        63.3293   53.3107   19.2634  C     
9    C        62.2912   54.8153   18.1044  C     
10   N        62.0700   52.8677   19.0900  N     
11   N        63.4668   54.4953   18.6571  N     
12   O        57.4689   55.5563   16.0910  O     
13   H        57.3542   51.5989   18.2204  H     
14   H        59.6580   51.7866   18.8907  H     
15   H        59.8987   55.5059   16.8921  H     
16   H        56.3088   53.3490   16.9002  H     
17   H        64.0686   52.8210   19.7670  H     
18   H        62.1162   55.6675   17.5777  H     
19   H        64.2835   55.0248   18.6173  H     
20   H        57.4753   55.2295   15.1684  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	| 3.5543
  Crash		| -0.4755
  Polar		| 2.0432
  FragIndex	| 1
  FragRMSD	| 0.111