@<TRIPOS>MOLECULE
BindingDB_50151345
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        27.5822   43.1111   14.2875  S     
2    N        28.1577   43.8336   12.8722  N     
3    C        27.9661   43.9263   15.7794  C     
4    C        28.4734   43.8328   18.1763  C     
5    N        28.6883   43.8303   20.6495  N     
6    C        28.7094   45.2332   18.1865  C     
7    O        28.2407   41.6640   14.3046  O     
8    O        26.0311   42.7874   14.1873  O     
9    C        28.1260   43.1884   16.9697  C     
10   C        28.6119   43.0228   19.4146  C     
11   C        27.4146   44.5124   11.9568  C     
12   C        29.1716   45.9383   19.4165  C     
13   C        28.1402   45.3224   15.8035  C     
14   C        26.2803   45.2955   12.2629  C     
15   C        28.4976   45.9691   16.9998  C     
16   C        29.6064   44.9867   20.5721  C     
17   C        25.5451   45.9320   11.2448  C     
18   Cl       24.1816   46.8456   11.6362  Cl    
19   F        28.4635   46.2626   22.2908  F     
20   C        27.0906   45.0545    9.5828  C     
21   C        27.8197   44.4144   10.6070  C     
22   C        29.6702   45.6886   21.9533  C     
23   C        25.9475   45.8058    9.9042  C     
24   H        29.0757   43.6412   12.6292  H     
25   H        27.7493   44.1810   20.8563  H     
26   H        28.9799   43.2199   21.4165  H     
27   H        27.9823   42.1741   16.9592  H     
28   H        27.7472   42.3673   19.5188  H     
29   H        29.5052   42.3896   19.3405  H     
30   H        30.0345   46.5561   19.1545  H     
31   H        28.3728   46.5973   19.7514  H     
32   H        28.0186   45.8801   14.9557  H     
33   H        25.9843   45.4124   13.2325  H     
34   H        28.6265   46.9848   16.9954  H     
35   H        30.6110   44.6093   20.3558  H     
36   H        27.3889   44.9649    8.6099  H     
37   H        28.6486   43.8627   10.3472  H     
38   H        29.9307   44.9569   22.7232  H     
39   H        30.4362   46.4708   21.9459  H     
40   H        25.4137   46.2580    9.1599  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1    7 2
     4    1    8 2
     5    2   11 1
     6    3    9 1
     7    3   13 2
     8    4    6 1
     9    4    9 2
    10    4   10 1
    11    5   10 1
    12    5   16 1
    13    6   12 1
    14    6   15 2
    15   11   14 2
    16   11   21 1
    17   12   16 1
    18   13   15 1
    19   14   17 1
    20   16   22 1
    21   17   18 1
    22   17   23 2
    23   19   22 1
    24   20   21 2
    25   20   23 1
    26    2   24 1
    27    5   25 1
    28    5   26 1
    29    9   27 1
    30   10   28 1
    31   10   29 1
    32   12   30 1
    33   12   31 1
    34   13   32 1
    35   14   33 1
    36   15   34 1
    37   16   35 1
    38   20   36 1
    39   21   37 1
    40   22   38 1
    41   22   39 1
    42   23   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.2846
  Crash		| -1.8534
  Polar		| 3.0941
  FragIndex	| 1
  FragRMSD	| 0.520