@<TRIPOS>MOLECULE
BindingDB_18864
 32 33 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.8795   41.7115   28.7567  C     
2    C        18.4210   42.7868   29.5393  C     
3    C        18.5573   42.7454   30.9407  C     
4    C        19.1508   41.6216   31.5481  C     
5    C        19.6158   40.5560   30.7585  C     
6    C        19.4779   40.5795   29.3483  C     
7    O        19.9025   39.6040   28.4635  O     
8    C        20.3327   38.4060   28.9655  C     
9    C        19.4031   37.4094   29.3169  C     
10   C        21.7069   38.1792   29.1730  C     
11   C        22.1422   36.9775   29.7672  C     
12   C        21.2145   35.9932   30.1909  C     
13   C        19.8381   36.2355   29.9595  C     
14   I        17.4054   37.6676   28.9180  I     
15   I        23.0890   39.6193   28.6787  I     
16   C        21.6684   34.7579   30.8972  C     
17   O        18.1034   43.7848   31.6923  O     
18   C        21.5138   33.4605   30.0529  C     
19   C        21.8009   32.1998   30.7618  C     
20   O        21.5870   31.0229   30.1183  O     
21   O        22.0678   32.1549   32.0848  O     
22   I        17.5554   44.3985   28.6032  I     
23   H        18.7756   41.7562   27.7397  H     
24   H        19.2478   41.5788   32.5686  H     
25   H        20.0560   39.7597   31.2274  H     
26   H        23.1440   36.8456   29.9198  H     
27   H        19.1377   35.5580   30.2661  H     
28   H        22.7182   34.8562   31.1910  H     
29   H        21.0870   34.6536   31.8176  H     
30   H        18.6969   43.8421   32.4682  H     
31   H        20.4885   33.3898   29.6810  H     
32   H        22.1841   33.5169   29.1886  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   22 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   19 1
    22   19   20 2
    23   19   21 1
    24    1   23 1
    25    4   24 1
    26    5   25 1
    27   11   26 1
    28   13   27 1
    29   16   28 1
    30   16   29 1
    31   17   30 1
    32   18   31 1
    33   18   32 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3736
  Crash		| -1.2197
  Polar		| 3.9285
  FragIndex	| 1
  FragRMSD	| 0.445