@<TRIPOS>MOLECULE
BindingDB_50275225
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         1.8502   17.2410   97.2738  C     
2    C         1.0195   18.3614   97.0802  C     
3    C         1.3861   19.3394   96.1214  C     
4    C         2.5491   19.1671   95.3504  C     
5    C         3.3753   18.0367   95.5275  C     
6    C         3.0045   17.0776   96.4940  C     
7    O        -0.1366   18.5365   97.7628  O     
8    O         4.5075   17.7328   94.8082  O     
9    C         5.2359   18.7307   94.2290  C     
10   C         5.0675   18.9749   92.8583  C     
11   C         5.8182   19.9960   92.2346  C     
12   C         6.8232   20.7289   92.9212  C     
13   C         6.9930   20.4215   94.2945  C     
14   C         6.2273   19.4300   94.9346  C     
15   I         6.7345   18.8742   96.8428  I     
16   I         3.8559   17.7602   91.7248  I     
17   C         7.5932   21.8622   92.2820  C     
18   C         8.0724   21.8913   90.7701  C     
19   P         9.6383   22.4166   90.5188  P     
20   N         7.8600   20.6755   89.9747  N     
21   O         9.6266   23.6662   89.7859  O     
22   O        10.4882   22.6916   91.7702  O     
23   O        10.4884   21.4994   89.6053  O     
24   I         1.4561   15.8267   98.7147  I     
25   H         0.7991   20.1621   95.9855  H     
26   H         2.7825   19.8762   94.6537  H     
27   H         3.5841   16.2408   96.6251  H     
28   H        -0.4499   17.6434   98.0199  H     
29   H         5.6937   20.1055   91.2435  H     
30   H         7.7009   20.8914   94.8576  H     
31   H         6.9878   22.7715   92.4098  H     
32   H         8.4679   22.0231   92.9295  H     
33   H         7.4238   22.6207   90.2477  H     
34   H         8.0376   19.8199   90.5170  H     
35   H         8.3849   20.7533   89.0984  H     
36   H         6.8308   20.6726   89.6960  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   24 1
     4    2    3 1
     5    2    7 1
     6    3    4 2
     7    4    5 1
     8    5    6 2
     9    5    8 1
    10    8    9 1
    11    9   10 2
    12    9   14 1
    13   10   11 1
    14   10   16 1
    15   11   12 2
    16   12   13 1
    17   12   17 1
    18   13   14 2
    19   14   15 1
    20   17   18 1
    21   18   19 1
    22   18   20 1
    23   19   21 2
    24   19   22 1
    25   19   23 1
    26    3   25 1
    27    4   26 1
    28    6   27 1
    29    7   28 1
    30   11   29 1
    31   13   30 1
    32   17   31 1
    33   17   32 1
    34   18   33 1
    35   20   34 1
    36   20   35 1
    37   20   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.5949
  Crash		| -3.8379
  Polar		| 3.2470
  FragIndex	| 1
  FragRMSD	| 0.410