@<TRIPOS>MOLECULE
BindingDB_68266
 48 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.5016   -3.0381   -4.9324  C     
2    C        19.4732   -4.0729   -5.0658  C     
3    C        19.7153   -4.9636   -4.0153  C     
4    C        19.0617   -4.8106   -2.7877  C     
5    C        18.1616   -3.7305   -2.5911  C     
6    C        17.8346   -2.8515   -3.6737  C     
7    C        18.3017   -2.2181   -6.0588  C     
8    O        20.1997   -4.2397   -6.2093  O     
9    O        19.3905   -5.6725   -1.7796  O     
10   O        17.1952   -2.3714   -6.8478  O     
11   O        19.2319   -1.2522   -6.3066  O     
12   C        16.9080   -1.5186   -7.9774  C     
13   C        15.6196   -1.9476   -8.7188  C     
14   C        15.7735   -3.2420   -9.3842  C     
15   C        15.0279   -4.3502   -9.2119  C     
16   C        16.9264   -1.6628   -3.4518  C     
17   C        15.5640   -1.9799   -3.0236  C     
18   C        14.5717   -2.6092   -3.8885  C     
19   O        15.1870   -1.5611   -1.9325  O     
20   C        13.8967   -4.5087   -8.3212  C     
21   C        14.3079   -4.7227   -6.8335  C     
22   Cl       17.5289   -3.4822   -1.0225  Cl    
23   C        14.5829   -4.1533   -3.7233  C     
24   C        13.3750   -4.8750   -4.3922  C     
25   C        13.0957   -4.5346   -5.8818  C     
26   H        20.4064   -5.7146   -4.1101  H     
27   H        20.9479   -4.8254   -5.9709  H     
28   H        19.0345   -5.3040   -0.9424  H     
29   H        16.7641   -0.4905   -7.6157  H     
30   H        17.7583   -1.5274   -8.6791  H     
31   H        14.7849   -1.9452   -8.0051  H     
32   H        15.3995   -1.2054   -9.4914  H     
33   H        16.4928   -3.2871  -10.0705  H     
34   H        15.2537   -5.1382   -9.7901  H     
35   H        17.4097   -1.0292   -2.6922  H     
36   H        16.8270   -1.0403   -4.3502  H     
37   H        13.5762   -2.2350   -3.6474  H     
38   H        14.7697   -2.3455   -4.9283  H     
39   H        13.2359   -3.6393   -8.4267  H     
40   H        13.3198   -5.3923   -8.6310  H     
41   H        14.7164   -5.7294   -6.7124  H     
42   H        15.0890   -4.0056   -6.5665  H     
43   H        15.5115   -4.5634   -4.1352  H     
44   H        14.5533   -4.4049   -2.6542  H     
45   H        13.5331   -5.9562   -4.3112  H     
46   H        12.4687   -4.6362   -3.8174  H     
47   H        12.7438   -3.5041   -5.9439  H     
48   H        12.2747   -5.1811   -6.2225  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    2    8 1
     6    3    4 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    5   22 1
    11    6   16 1
    12    7   10 1
    13    7   11 2
    14   10   12 1
    15   12   13 1
    16   13   14 1
    17   14   15 2
    18   15   20 1
    19   16   17 1
    20   17   18 1
    21   17   19 2
    22   18   23 1
    23   20   21 1
    24   21   25 1
    25   23   24 1
    26   24   25 1
    27    3   26 1
    28    8   27 1
    29    9   28 1
    30   12   29 1
    31   12   30 1
    32   13   31 1
    33   13   32 1
    34   14   33 1
    35   15   34 1
    36   16   35 1
    37   16   36 1
    38   18   37 1
    39   18   38 1
    40   20   39 1
    41   20   40 1
    42   21   41 1
    43   21   42 1
    44   23   43 1
    45   23   44 1
    46   24   45 1
    47   24   46 1
    48   25   47 1
    49   25   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8472
  Crash		| -1.9739
  Polar		| 1.4604
  FragIndex	| 1
  FragRMSD	| 0.408