@<TRIPOS>MOLECULE
BindingDB_24677
 20 21 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        60.0892   53.6721   17.9682  C     
2    C        58.0963   54.4719   16.7611  C     
3    C        59.4500   54.6154   17.1223  C     
4    C        59.3195   52.5719   18.4209  C     
5    C        57.9680   52.4240   18.0589  C     
6    C        57.3486   53.3797   17.2344  C     
7    C        61.4554   53.8073   18.3606  C     
8    C        63.3892   53.3507   19.2611  C     
9    C        62.3610   54.8319   18.0646  C     
10   N        62.1326   52.9068   19.1019  N     
11   N        63.5355   54.5197   18.6263  N     
12   O        56.0416   53.2775   16.8903  O     
13   H        57.6569   55.1720   16.1612  H     
14   H        59.9569   55.4266   16.7677  H     
15   H        59.7311   51.8649   19.0377  H     
16   H        57.4356   51.6192   18.4018  H     
17   H        64.1263   52.8655   19.7751  H     
18   H        62.1870   55.6760   17.5175  H     
19   H        64.3548   55.0423   18.5760  H     
20   H        55.6269   52.6323   17.5138  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	| 3.3940
  Crash		| -0.4976
  Polar		| 2.3768
  FragIndex	| 1
  FragRMSD	| 0.090