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


@<TRIPOS>ATOM
1    C        18.4837   41.5960   28.8459  C     
2    C        17.9781   42.6657   29.6284  C     
3    C        18.3598   42.7215   30.9954  C     
4    C        19.2423   41.7641   31.5338  C     
5    C        19.7389   40.7253   30.7292  C     
6    C        19.3494   40.6138   29.3718  C     
7    O        19.7871   39.6385   28.4902  O     
8    C        20.2252   38.4468   29.0074  C     
9    C        21.6011   38.2393   29.2404  C     
10   C        19.3106   37.4264   29.3390  C     
11   C        19.7612   36.2445   29.9630  C     
12   C        21.1362   36.0378   30.2244  C     
13   C        22.0463   37.0567   29.8589  C     
14   I        22.9681   39.7008   28.7629  I     
15   I        17.3000   37.6586   28.9790  I     
16   C        21.5977   34.7948   30.9115  C     
17   O        17.9246   43.7090   31.8123  O     
18   C        21.4756   33.5247   30.0188  C     
19   C        17.0453   43.6760   29.0079  C     
20   C        15.5972   43.5419   29.5599  C     
21   C        17.5612   45.1424   29.0901  C     
22   C        21.7186   32.2435   30.7202  C     
23   O        21.5294   31.0833   30.0566  O     
24   O        22.0836   32.1643   32.0222  O     
25   N        22.3973   33.6206   28.8734  N     
26   H        18.2118   41.5183   27.8620  H     
27   H        19.5315   41.8204   32.5138  H     
28   H        20.3863   40.0489   31.1414  H     
29   H        19.0747   35.5406   30.2421  H     
30   H        23.0446   36.9518   30.0524  H     
31   H        22.6420   34.8967   31.2295  H     
32   H        21.0061   34.6672   31.8243  H     
33   H        18.6905   43.9353   32.3860  H     
34   H        20.4591   33.4770   29.6227  H     
35   H        16.9675   43.4758   27.9343  H     
36   H        15.2385   42.5182   29.4244  H     
37   H        14.9243   44.2128   29.0203  H     
38   H        15.5517   43.7900   30.6242  H     
39   H        17.5684   45.5149   30.1146  H     
40   H        16.9162   45.8027   28.5035  H     
41   H        18.5718   45.2112   28.6853  H     
42   H        22.2054   34.4761   28.3468  H     
43   H        22.2647   32.8156   28.2585  H     
44   H        23.3655   33.6400   29.2031  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	| 9.7730
  Crash		| -1.4772
  Polar		| 3.9528
  FragIndex	| 1
  FragRMSD	| 0.473