@<TRIPOS>MOLECULE
BindingDB_50144828
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        -4.5248    6.5111   12.3508  S     
2    C        -5.0908    2.4716   14.9539  C     
3    C        -3.4336    7.6562   13.1035  C     
4    S        -5.7857    1.5736   16.2237  S     
5    S        -5.6515    4.0142   14.5011  S     
6    C        -4.3395    3.9835   13.3687  C     
7    N        -3.9472    4.9329   12.4945  N     
8    N        -4.0674    2.0528   14.3188  N     
9    N        -3.6412    2.8453   13.4437  N     
10   C        -2.7610    8.6501   12.3480  C     
11   C        -3.1787    7.5648   14.4947  C     
12   C        -2.2760    8.4513   15.1161  C     
13   C        -1.8623    9.5373   12.9767  C     
14   C        -1.6216    9.4370   14.3580  C     
15   O        -4.7153    6.7376   10.7898  O     
16   O        -5.9954    6.6789   12.9299  O     
17   O        -6.0495    0.1096   15.6666  O     
18   O        -4.7703    1.3939   17.4335  O     
19   N        -7.2753    2.1310   16.7601  N     
20   F        -2.9445    8.7732   11.0605  F     
21   F        -3.7705    6.6651   15.2372  F     
22   F        -1.2407   10.4584   12.2885  F     
23   F        -2.0320    8.3654   16.3960  F     
24   H        -3.1916    4.7071   11.9293  H     
25   H        -0.9683   10.0807   14.8123  H     
26   H        -8.0295    1.5223   16.8040  H     
27   H        -7.4041    3.0772   16.9382  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    7 1
     3    1   15 2
     4    1   16 2
     5    2    4 1
     6    2    5 1
     7    2    8 2
     8    3   10 2
     9    3   11 1
    10    4   17 2
    11    4   18 2
    12    4   19 am
    13    5    6 1
    14    6    7 1
    15    6    9 2
    16    8    9 1
    17   10   13 1
    18   10   20 1
    19   11   12 2
    20   11   21 1
    21   12   14 1
    22   12   23 1
    23   13   14 2
    24   13   22 1
    25    7   24 1
    26   14   25 1
    27   19   26 1
    28   19   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.4735
  Crash		| -0.5634
  Polar		| 3.4066
  FragIndex	| 1
  FragRMSD	| 1.149