@<TRIPOS>MOLECULE
BindingDB_12161
 22 22 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.7604    6.6774   14.3285  C     
2    C        15.7799    4.3563   15.6492  C     
3    C        14.8919    5.3486   15.2038  C     
4    C        15.3781    6.4936   14.5489  C     
5    C        17.6460    5.6472   14.7336  C     
6    C        17.1489    4.4900   15.3680  C     
7    O        15.4176    1.7160   15.6370  O     
8    O        15.9960    2.7286   17.9125  O     
9    S        15.2053    2.9893   16.5577  S     
10   N        13.5473    2.9775   16.8165  N     
11   N        17.1015    7.8534   13.7282  N     
12   N        18.1099    8.6897   14.0849  N     
13   Cl       19.3247    5.6591   14.4506  Cl    
14   H        13.8863    5.2632   15.3466  H     
15   H        14.6951    7.2083   14.2408  H     
16   H        17.7914    3.7500   15.6557  H     
17   H        13.0347    2.1746   16.6488  H     
18   H        13.1181    3.7535   17.2166  H     
19   H        16.4895    8.2168   13.0832  H     
20   H        17.9013    9.0898   15.0151  H     
21   H        18.1800    9.4503   13.3955  H     
22   H        19.0053    8.1878   14.1377  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    5 1
     3    1   11 1
     4    2    3 2
     5    2    6 1
     6    2    9 1
     7    3    4 1
     8    5    6 2
     9    5   13 1
    10    7    9 2
    11    8    9 2
    12    9   10 am
    13   11   12 1
    14    3   14 1
    15    4   15 1
    16    6   16 1
    17   10   17 1
    18   10   18 1
    19   11   19 1
    20   12   20 1
    21   12   21 1
    22   12   22 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.0541
  Crash		| -0.5292
  Polar		| 2.7652
  FragIndex	| 1
  FragRMSD	| 1.114