@<TRIPOS>MOLECULE
BindingDB_11383
 20 20 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        13.7195    2.7479   16.5022  O     
2    S        15.2660    3.0335   16.7397  S     
3    O        15.4807    3.5202   18.2363  O     
4    N        16.1480    1.6186   16.5402  N     
5    O        15.5008    0.5080   16.3908  O     
6    C        15.8428    4.2844   15.6726  C     
7    C        14.9553    5.2232   15.1076  C     
8    C        15.4426    6.2671   14.2992  C     
9    C        16.8233    6.3814   14.0478  C     
10   C        17.7125    5.4391   14.6008  C     
11   C        17.2245    4.3968   15.4106  C     
12   N        17.2917    7.3900   13.2920  N     
13   H        17.0482    1.6770   16.1876  H     
14   H        15.9449   -0.1413   16.9740  H     
15   H        13.9510    5.1645   15.2876  H     
16   H        14.7883    6.9511   13.9095  H     
17   H        18.7179    5.5109   14.4239  H     
18   H        17.8869    3.7267   15.8108  H     
19   H        18.2439    7.4711   13.1257  H     
20   H        16.6809    8.0463   12.9213  H     
@<TRIPOS>BOND
     1    1    2 2
     2    2    3 2
     3    2    4 1
     4    2    6 1
     5    4    5 1
     6    6    7 1
     7    6   11 2
     8    7    8 2
     9    8    9 1
    10    9   10 2
    11    9   12 1
    12   10   11 1
    13    4   13 1
    14    5   14 1
    15    7   15 1
    16    8   16 1
    17   10   17 1
    18   11   18 1
    19   12   19 1
    20   12   20 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.5537
  Crash		| -0.5954
  Polar		| 2.6132
  FragIndex	| 1
  FragRMSD	| 0.394