@<TRIPOS>MOLECULE
BindingDB_24667
 20 21 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        60.0266   53.7044   18.0673  C     
2    C        58.3105   53.7006   16.3096  C     
3    C        59.6444   53.8815   16.7176  C     
4    C        59.0222   53.3584   19.0139  C     
5    C        57.6866   53.1680   18.5933  C     
6    C        57.3341   53.3372   17.2452  C     
7    C        61.3976   53.8296   18.4132  C     
8    C        63.3818   53.3770   19.1761  C     
9    C        62.2479   54.8941   18.1245  C     
10   N        62.1316   52.8976   19.0582  N     
11   N        63.4600   54.5920   18.6072  N     
12   S        59.3289   53.2701   20.7291  S     
13   H        58.0520   53.8166   15.3276  H     
14   H        60.3433   54.1109   16.0081  H     
15   H        56.9550   52.9245   19.2678  H     
16   H        56.3690   53.1915   16.9412  H     
17   H        64.1613   52.8901   19.6241  H     
18   H        61.9952   55.7673   17.6550  H     
19   H        64.2592   55.1473   18.5561  H     
20   H        58.5299   54.3447   20.9946  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    4   12 1
     8    5    6 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    5   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	| 3.5680
  Crash		| -0.4891
  Polar		| 2.0136
  FragIndex	| 1
  FragRMSD	| 0.594