@<TRIPOS>MOLECULE
BindingDB_68260
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.3379  -34.4813   -4.7381  C     
2    C        17.2183  -33.6102   -4.6550  C     
3    C        16.9667  -32.9053   -3.4653  C     
4    C        17.8100  -33.0486   -2.3544  C     
5    C        18.9169  -33.9286   -2.4136  C     
6    C        19.2109  -34.6430   -3.6159  C     
7    C        18.5595  -35.1228   -5.9824  C     
8    O        16.4033  -33.3940   -5.7235  O     
9    O        17.5372  -32.3306   -1.2317  O     
10   O        19.6964  -34.8475   -6.6716  O     
11   O        17.5623  -35.8280   -6.5692  O     
12   C        19.9654  -35.2218   -8.0288  C     
13   C        21.3498  -34.7128   -8.4991  C     
14   C        21.5705  -33.3175   -8.1453  C     
15   C        20.3908  -35.5673   -3.6484  C     
16   C        21.6748  -34.8811   -3.5270  C     
17   C        22.1305  -33.8675   -4.4687  C     
18   C        23.1181  -34.4726   -5.5041  C     
19   C        23.5715  -33.5102   -6.6345  C     
20   C        22.5183  -32.8022   -7.3417  C     
21   O        22.4781  -35.2828   -2.6944  O     
22   Cl       19.8517  -34.0981   -1.0012  Cl    
23   H        16.1702  -32.2700   -3.4119  H     
24   H        15.8772  -32.5942   -5.5288  H     
25   H        17.0885  -31.5090   -1.5219  H     
26   H        19.9151  -36.3088   -8.1367  H     
27   H        19.1928  -34.7812   -8.6655  H     
28   H        22.1282  -35.3713   -8.1126  H     
29   H        21.3931  -34.7958   -9.5888  H     
30   H        20.9280  -32.6686   -8.5430  H     
31   H        20.2676  -36.2850   -2.8336  H     
32   H        20.4305  -36.1720   -4.5549  H     
33   H        21.2786  -33.4280   -4.9865  H     
34   H        22.6238  -33.0552   -3.9219  H     
35   H        24.0153  -34.8072   -4.9725  H     
36   H        22.6651  -35.3604   -5.9394  H     
37   H        24.2446  -32.7700   -6.1854  H     
38   H        24.1673  -34.0672   -7.3631  H     
39   H        22.5017  -31.8117   -7.2227  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   15 1
    12    7   10 1
    13    7   11 2
    14   10   12 1
    15   12   13 1
    16   13   14 1
    17   14   20 2
    18   15   16 1
    19   16   17 1
    20   16   21 2
    21   17   18 1
    22   18   19 1
    23   19   20 1
    24    3   23 1
    25    8   24 1
    26    9   25 1
    27   12   26 1
    28   12   27 1
    29   13   28 1
    30   13   29 1
    31   14   30 1
    32   15   31 1
    33   15   32 1
    34   17   33 1
    35   17   34 1
    36   18   35 1
    37   18   36 1
    38   19   37 1
    39   19   38 1
    40   20   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2458
  Crash		| -1.3176
  Polar		| 1.5118
  FragIndex	| 1
  FragRMSD	| 0.887