@<TRIPOS>MOLECULE
BindingDB_50174036
 38 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        17.0400    5.1898   12.0197  S     
2    S        15.5718    3.0260   16.7372  S     
3    C        16.2146    5.4244   13.5458  C     
4    C        15.5242    4.4372   15.7012  C     
5    C        16.1329    4.3276   14.4317  C     
6    C        15.6442    6.6680   13.9225  C     
7    C        14.8188    8.6956   12.8767  C     
8    C        14.9657    5.6824   16.0817  C     
9    C        15.0449    6.7773   15.2000  C     
10   N        15.7499    7.7745   13.1156  N     
11   O        15.1613    3.2235   18.2612  O     
12   O        14.6452    1.9025   16.1050  O     
13   O        17.7914    3.7925   11.8775  O     
14   O        15.9974    5.2379   10.8201  O     
15   N        14.9962    9.8408   12.2290  N     
16   N        17.0940    2.3168   16.6848  N     
17   N        18.1793    6.3820   11.7041  N     
18   O        13.6746    8.5339   13.2800  O     
19   Cl       14.2010    5.9605   17.5718  Cl    
20   C        16.0908   10.3976   11.6244  C     
21   C        16.1481   11.8115   11.5941  C     
22   C        17.1119    9.6764   10.9611  C     
23   C        18.1623   10.3435   10.3026  C     
24   C        17.2017   12.4828   10.9446  C     
25   C        18.2101   11.7489   10.2970  C     
26   H        16.5430    3.4321   14.1551  H     
27   H        14.6892    7.6863   15.5093  H     
28   H        16.5937    7.8814   12.6624  H     
29   H        14.2147   10.4176   12.2357  H     
30   H        17.1846    1.3702   16.8808  H     
31   H        17.8313    2.7947   16.2716  H     
32   H        18.1167    6.8926   10.8811  H     
33   H        19.0157    6.3777   12.1960  H     
34   H        15.4178   12.3703   12.0473  H     
35   H        17.0797    8.6614   10.9084  H     
36   H        18.8876    9.8091    9.8218  H     
37   H        17.2301   13.5053   10.9400  H     
38   H        18.9696   12.2351    9.8150  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1   13 2
     3    1   14 2
     4    1   17 am
     5    2    4 1
     6    2   11 2
     7    2   12 2
     8    2   16 am
     9    3    5 1
    10    3    6 2
    11    4    5 2
    12    4    8 1
    13    6    9 1
    14    6   10 1
    15    7   10 am
    16    7   15 am
    17    7   18 2
    18    8    9 2
    19    8   19 1
    20   15   20 1
    21   20   21 1
    22   20   22 2
    23   21   24 2
    24   22   23 1
    25   23   25 2
    26   24   25 1
    27    5   26 1
    28    9   27 1
    29   10   28 1
    30   15   29 1
    31   16   30 1
    32   16   31 1
    33   17   32 1
    34   17   33 1
    35   21   34 1
    36   22   35 1
    37   23   36 1
    38   24   37 1
    39   25   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.1067
  Crash		| -1.6836
  Polar		| 5.4400
  FragIndex	| 1
  FragRMSD	| 0.853