@<TRIPOS>MOLECULE
BindingDB_50138281
 28 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.7793   89.0477    2.8148  C     
2    C        24.4833   90.6968    1.2189  C     
3    C        23.1857   88.5824    1.7120  C     
4    C        24.5000   90.1602    2.5788  C     
5    S        23.5232   89.4656    0.2995  S     
6    C        25.8530   90.8430    0.6691  C     
7    C        26.2842   91.1316   -0.5892  C     
8    O        22.3908   87.5172    1.6269  O     
9    C        27.6275   91.3419   -0.8265  C     
10   O        25.0617   90.7721    3.4801  O     
11   C        28.6115   90.5107   -0.4525  C     
12   C        23.6184   88.4056    4.1158  C     
13   C        23.6924   92.0432    1.2350  C     
14   C        25.4041   91.2935   -1.7516  C     
15   H        26.5816   90.7763    1.3513  H     
16   H        21.9127   87.4765    2.4832  H     
17   H        27.8911   92.1460   -1.3468  H     
18   H        29.5642   90.7255   -0.6568  H     
19   H        28.4219   89.6860    0.0626  H     
20   H        22.5635   88.4254    4.4068  H     
21   H        24.1946   88.9063    4.9006  H     
22   H        23.9539   87.3646    4.0629  H     
23   H        22.7184   91.9150    1.7131  H     
24   H        23.5177   92.4157    0.2227  H     
25   H        24.2438   92.8071    1.7907  H     
26   H        24.8830   90.3636   -1.9689  H     
27   H        25.9336   91.5670   -2.6714  H     
28   H        24.6781   92.0845   -1.5571  H     
@<TRIPOS>BOND
     1    1    3 2
     2    1    4 1
     3    1   12 1
     4    2    4 1
     5    2    5 1
     6    2    6 1
     7    2   13 1
     8    3    5 1
     9    3    8 1
    10    4   10 2
    11    6    7 2
    12    7    9 1
    13    7   14 1
    14    9   11 2
    15    6   15 1
    16    8   16 1
    17    9   17 1
    18   11   18 1
    19   11   19 1
    20   12   20 1
    21   12   21 1
    22   12   22 1
    23   13   23 1
    24   13   24 1
    25   13   25 1
    26   14   26 1
    27   14   27 1
    28   14   28 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.2708
  Crash		| -0.7836
  Polar		| 2.1006
  FragIndex	| 1
  FragRMSD	| 0.489