@<TRIPOS>MOLECULE
BindingDB_50160671
 19 20 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.9349    4.0967   15.8815  C     
2    S        15.0481    3.0064   16.8305  S     
3    N        17.2379    4.1827   15.9908  N     
4    S        15.1778    5.1234   14.7416  S     
5    C        17.7475    5.1057   15.1775  C     
6    C        16.7592    5.7347   14.4138  C     
7    O        14.8515    1.7165   15.9379  O     
8    O        15.8802    2.6527   18.1361  O     
9    N        13.5116    3.5601   17.1816  N     
10   C        19.0988    5.4702   15.0448  C     
11   C        17.0940    6.7536   13.5034  C     
12   C        18.4461    7.1213   13.3589  C     
13   C        19.4473    6.4787   14.1214  C     
14   H        12.9128    3.0095   17.7000  H     
15   H        13.2544    4.4664   16.9382  H     
16   H        19.8181    5.0161   15.6129  H     
17   H        16.3639    7.2181   12.9584  H     
18   H        18.7029    7.8573   12.6974  H     
19   H        20.4269    6.7486   14.0069  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    4 1
     4    2    7 2
     5    2    8 2
     6    2    9 am
     7    3    5 1
     8    4    6 1
     9    5    6 1
    10    5   10 2
    11    6   11 2
    12   10   13 1
    13   11   12 1
    14   12   13 2
    15    9   14 1
    16    9   15 1
    17   10   16 1
    18   11   17 1
    19   12   18 1
    20   13   19 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.5045
  Crash		| -0.8436
  Polar		| 2.4909
  FragIndex	| 1
  FragRMSD	| 1.085