@<TRIPOS>MOLECULE
BindingDB_10874
 20 21 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.1131    5.4093   15.1058  C     
2    C        19.5085    6.3145   14.1055  C     
3    C        18.5585    6.8641   13.2198  C     
4    C        17.1980    6.5052   13.3115  C     
5    C        17.7563    5.0378   15.2003  C     
6    C        16.8224    5.5939   14.3063  C     
7    C        15.9197    3.9499   15.9850  C     
8    O        18.9537    7.7590   12.2704  O     
9    S        15.2999    4.9226   14.7062  S     
10   N        17.2513    4.1516   16.1005  N     
11   N        13.3619    3.1944   16.7630  N     
12   O        15.1704    1.3992   16.3825  O     
13   S        14.9943    2.8663   16.9722  S     
14   O        15.3595    2.9871   18.5150  O     
15   H        19.7967    5.0193   15.7573  H     
16   H        20.4910    6.5707   14.0234  H     
17   H        16.5004    6.8862   12.6702  H     
18   H        19.8807    7.4842   12.0279  H     
19   H        12.7010    2.5611   17.0942  H     
20   H        13.0912    4.0301   16.3384  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    3    4 2
     5    3    8 1
     6    4    6 1
     7    5    6 2
     8    5   10 1
     9    6    9 1
    10    7    9 1
    11    7   10 2
    12    7   13 1
    13   11   13 am
    14   12   13 2
    15   13   14 2
    16    1   15 1
    17    2   16 1
    18    4   17 1
    19    8   18 1
    20   11   19 1
    21   11   20 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.7868
  Crash		| -1.0267
  Polar		| 2.0873
  FragIndex	| 1
  FragRMSD	| 1.019