@<TRIPOS>MOLECULE
BindingDB_11313
 28 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.6989    4.3505   20.0590  C     
2    C        25.8134    4.0319   18.1770  C     
3    C        25.7854    3.2639   19.3469  C     
4    C        24.7398    3.4106   20.2634  C     
5    C        24.8139    5.0169   17.9363  C     
6    C        23.8087    5.2356   18.9346  C     
7    C        23.0065    6.3824   18.7984  C     
8    C        24.7835    5.7728   16.7421  C     
9    C        23.7902    6.7465   16.5126  C     
10   C        22.8957    7.0603   17.5777  C     
11   C        21.9063    8.0566   17.3964  C     
12   C        21.7857    8.7347   16.1741  C     
13   C        22.6632    8.4365   15.1226  C     
14   C        23.6669    7.4631   15.2823  C     
15   O        22.6551    6.9759   19.8131  O     
16   O        25.6287    5.5762   15.8812  O     
17   O        26.8201    3.7521   17.3072  O     
18   N        22.6170    4.3023   20.9045  N     
19   O        21.4528    4.7909   20.5816  O     
20   O        22.5865    3.6275   21.9011  O     
21   O        24.4943    7.2294   14.2245  O     
22   H        26.5001    2.5505   19.5122  H     
23   H        24.7172    2.7640   21.0581  H     
24   H        21.2545    8.2949   18.1476  H     
25   H        21.0604    9.4460   16.0560  H     
26   H        22.5657    8.9335   14.2333  H     
27   H        27.5033    4.4401   17.4581  H     
28   H        24.5601    8.0711   13.7187  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    1   18 am
     4    2    3 2
     5    2    5 1
     6    2   17 1
     7    3    4 1
     8    5    6 2
     9    5    8 1
    10    6    7 1
    11    7   10 1
    12    7   15 2
    13    8    9 1
    14    8   16 2
    15    9   10 2
    16    9   14 1
    17   10   11 1
    18   11   12 2
    19   12   13 1
    20   13   14 2
    21   14   21 1
    22   18   19 1
    23   18   20 2
    24    3   22 1
    25    4   23 1
    26   11   24 1
    27   12   25 1
    28   13   26 1
    29   17   27 1
    30   21   28 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.8902
  Crash		| -0.6993
  Polar		| 1.8481
  FragIndex	| 1
  FragRMSD	| 0.658