@<TRIPOS>MOLECULE
BindingDB_18862
 29 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         3.1033   17.0559   96.4855  C     
2    C         1.9459   17.2073   97.2721  C     
3    C         1.1254   18.3456   97.1076  C     
4    C         1.4533   19.3036   96.1311  C     
5    C         2.6077   19.1402   95.3417  C     
6    C         3.4619   18.0214   95.5227  C     
7    O         4.6100   17.7513   94.8055  O     
8    C         5.2499   18.7950   94.1897  C     
9    C         5.0096   19.0360   92.8239  C     
10   C         6.1667   19.6138   94.8891  C     
11   C         6.7757   20.7055   94.2428  C     
12   C         6.4938   20.9894   92.8835  C     
13   C         5.6127   20.1332   92.1824  C     
14   I         3.7739   17.8132   91.7374  I     
15   I         6.6051   19.2382   96.8601  I     
16   C         7.1294   22.1430   92.1944  C     
17   I         1.4786   15.7338   98.6305  I     
18   O         0.0003   18.5390   97.8418  O     
19   C         8.5560   21.8837   91.9655  C     
20   O         8.9221   20.8768   91.1434  O     
21   O         9.5011   22.7566   92.3838  O     
22   H         3.6897   16.2364   96.6155  H     
23   H         0.8537   20.1192   95.9941  H     
24   H         2.8181   19.8508   94.6334  H     
25   H         7.4199   21.3004   94.7652  H     
26   H         5.4067   20.2996   91.1926  H     
27   H         6.6721   22.3264   91.2178  H     
28   H         6.9856   23.0475   92.7903  H     
29   H         0.1790   18.1281   98.7229  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   17 1
     5    3    4 2
     6    3   18 1
     7    4    5 1
     8    5    6 2
     9    6    7 1
    10    7    8 1
    11    8    9 2
    12    8   10 1
    13    9   13 1
    14    9   14 1
    15   10   11 2
    16   10   15 1
    17   11   12 1
    18   12   13 2
    19   12   16 1
    20   16   19 1
    21   19   20 2
    22   19   21 1
    23    1   22 1
    24    4   23 1
    25    5   24 1
    26   11   25 1
    27   13   26 1
    28   16   27 1
    29   16   28 1
    30   18   29 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.6827
  Crash		| -1.8086
  Polar		| 3.8911
  FragIndex	| 1
  FragRMSD	| 0.410