@<TRIPOS>MOLECULE
BindingDB_50415863
 23 23 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.1962    2.4891   15.5021  C     
2    C        -3.6891    3.6041   14.8008  C     
3    C        -4.5142    4.7165   14.5072  C     
4    C        -5.8622    4.6758   14.9302  C     
5    C        -6.3755    3.5634   15.6327  C     
6    C        -5.5407    2.4668   15.9243  C     
7    S        -6.1303    1.0884   16.8131  S     
8    N        -7.7599    1.0691   17.2191  N     
9    O        -5.9090   -0.1777   15.8802  O     
10   O        -5.2499    0.8913   18.1200  O     
11   C        -3.9753    5.8741   13.7420  C     
12   C        -2.9367    6.7013   14.5311  C     
13   H        -3.5774    1.7011   15.6971  H     
14   H        -2.7124    3.5909   14.5014  H     
15   H        -6.4928    5.4608   14.7302  H     
16   H        -7.3583    3.5630   15.9274  H     
17   H        -8.1641    0.2226   17.4822  H     
18   H        -8.3333    1.8126   16.9746  H     
19   H        -3.5170    5.5071   12.8242  H     
20   H        -4.7819    6.5485   13.4500  H     
21   H        -3.3561    7.0485   15.4765  H     
22   H        -2.6477    7.5788   13.9463  H     
23   H        -2.0429    6.1114   14.7322  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   11 1
     6    4    5 1
     7    5    6 2
     8    6    7 1
     9    7    8 am
    10    7    9 2
    11    7   10 2
    12   11   12 1
    13    1   13 1
    14    2   14 1
    15    4   15 1
    16    5   16 1
    17    8   17 1
    18    8   18 1
    19   11   19 1
    20   11   20 1
    21   12   21 1
    22   12   22 1
    23   12   23 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6320
  Crash		| -0.7010
  Polar		| 2.3681
  FragIndex	| 1
  FragRMSD	| 1.141