@<TRIPOS>MOLECULE
BindingDB_18863
 44 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         3.3044   17.3160   96.6855  C     
2    C         2.1468   17.4769   97.4925  C     
3    C         1.1514   18.3864   97.0386  C     
4    C         1.3477   19.1278   95.8578  C     
5    C         2.5077   18.9538   95.0868  C     
6    C         3.5067   18.0400   95.4917  C     
7    O         4.6305   17.7157   94.7577  O     
8    C         5.2834   18.7474   94.1430  C     
9    C         5.0601   18.9763   92.7701  C     
10   C         6.2002   19.5620   94.8426  C     
11   C         6.8189   20.6448   94.1876  C     
12   C         6.5503   20.9256   92.8281  C     
13   C         5.6742   20.0650   92.1279  C     
14   I         3.8271   17.7487   91.6781  I     
15   I         6.6252   19.2080   96.8219  I     
16   C         7.1470   22.1093   92.1469  C     
17   O        -0.0281   18.5823   97.6809  O     
18   C         8.4037   21.7659   91.2963  C     
19   C         2.0224   16.6636   98.7548  C     
20   C         1.6729   17.4864  100.0295  C     
21   C         1.0648   15.4531   98.5700  C     
22   C         9.1615   22.9487   90.8226  C     
23   O         8.6987   24.2152   90.9166  O     
24   O        10.4332   22.8052   90.3788  O     
25   N         8.0409   20.9223   90.1436  N     
26   H         4.0225   16.6352   96.9518  H     
27   H         0.6214   19.7736   95.5359  H     
28   H         2.6057   19.4934   94.2244  H     
29   H         7.4620   21.2412   94.7184  H     
30   H         5.4648   20.2346   91.1406  H     
31   H         6.4016   22.5723   91.4985  H     
32   H         7.4051   22.8578   92.9001  H     
33   H        -0.3226   17.6979   97.9629  H     
34   H         9.0903   21.2024   91.9295  H     
35   H         2.9997   16.2214   98.9769  H     
36   H         2.2791   18.4043  100.0751  H     
37   H         1.8928   16.8898  100.9269  H     
38   H         0.6095   17.7581  100.0488  H     
39   H         0.0376   15.7740   98.3997  H     
40   H         1.0798   14.8249   99.4654  H     
41   H         1.3862   14.8400   97.7237  H     
42   H         7.7721   19.9978   90.4838  H     
43   H         8.8397   20.8262   89.5128  H     
44   H         7.2506   21.3412   89.6431  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   19 1
     5    3    4 2
     6    3   17 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   18 1
    21   18   22 1
    22   18   25 1
    23   19   20 1
    24   19   21 1
    25   22   23 2
    26   22   24 1
    27    1   26 1
    28    4   27 1
    29    5   28 1
    30   11   29 1
    31   13   30 1
    32   16   31 1
    33   16   32 1
    34   17   33 1
    35   18   34 1
    36   19   35 1
    37   20   36 1
    38   20   37 1
    39   20   38 1
    40   21   39 1
    41   21   40 1
    42   21   41 1
    43   25   42 1
    44   25   43 1
    45   25   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.7234
  Crash		| -3.0447
  Polar		| 4.1947
  FragIndex	| 1
  FragRMSD	| 0.815