@<TRIPOS>MOLECULE
BindingDB_50081954
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        27.4740   43.2352   14.3155  S     
2    C        27.8768   44.0297   15.8100  C     
3    N        27.8506   44.0537   12.8842  N     
4    C        28.4609   43.9233   18.1999  C     
5    N        29.3790   43.8542   20.5224  N     
6    C        28.5571   45.3394   18.2393  C     
7    O        28.2167   41.8316   14.2142  O     
8    O        25.9453   42.7935   14.3176  O     
9    C        28.0951   43.2844   16.9898  C     
10   C        28.7329   43.1102   19.4159  C     
11   C        28.9656   46.0482   19.4830  C     
12   C        27.9925   45.4318   15.8560  C     
13   C        28.3234   46.0806   17.0584  C     
14   C        26.9875   44.7949   12.1321  C     
15   C        28.7955   45.1953   20.7727  C     
16   C        25.2832   46.3101   10.4362  C     
17   Cl       24.2672   47.2138    9.4295  Cl    
18   C        27.2011   44.8309   10.7343  C     
19   C        25.9125   45.5470   12.6666  C     
20   C        25.0742   46.3036   11.8277  C     
21   C        26.3420   45.5571    9.8907  C     
22   F        29.2285   45.1598   23.1489  F     
23   C        29.4634   45.8715   21.9973  C     
24   H        28.7130   43.8443   12.4850  H     
25   H        29.3189   43.2756   21.3626  H     
26   H        30.3678   43.9824   20.2909  H     
27   H        28.0096   42.2653   16.9671  H     
28   H        27.7928   42.6816   19.7764  H     
29   H        29.3998   42.2826   19.1588  H     
30   H        30.0161   46.3365   19.3650  H     
31   H        28.3828   46.9669   19.5891  H     
32   H        27.8387   45.9952   15.0166  H     
33   H        28.3956   47.1021   17.0675  H     
34   H        27.7271   45.0821   20.9866  H     
35   H        27.9732   44.3000   10.3176  H     
36   H        25.7509   45.5756   13.6757  H     
37   H        24.3157   46.8531   12.2386  H     
38   H        26.4907   45.5270    8.8813  H     
39   H        30.5439   45.9425   21.8512  H     
40   H        29.0647   46.8790   22.1354  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1    7 2
     4    1    8 2
     5    2    9 1
     6    2   12 2
     7    3   14 1
     8    4    6 1
     9    4    9 2
    10    4   10 1
    11    5   10 1
    12    5   15 1
    13    6   11 1
    14    6   13 2
    15   11   15 1
    16   12   13 1
    17   14   18 1
    18   14   19 2
    19   15   23 1
    20   16   17 1
    21   16   20 2
    22   16   21 1
    23   18   21 2
    24   19   20 1
    25   22   23 1
    26    3   24 1
    27    5   25 1
    28    5   26 1
    29    9   27 1
    30   10   28 1
    31   10   29 1
    32   11   30 1
    33   11   31 1
    34   12   32 1
    35   13   33 1
    36   15   34 1
    37   18   35 1
    38   19   36 1
    39   20   37 1
    40   21   38 1
    41   23   39 1
    42   23   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.9565
  Crash		| -0.7322
  Polar		| 3.2057
  FragIndex	| 1
  FragRMSD	| 0.092