@<TRIPOS>MOLECULE
BindingDB_14786
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.7501   45.1528   10.7804  C     
2    C        14.3948   45.3857   10.5489  C     
3    C        13.7883   45.1572   11.7777  C     
4    N        14.7590   44.8267   12.6429  N     
5    N        15.9318   44.8290   12.0816  N     
6    C        13.8316   45.8444    9.3477  C     
7    O        14.6623   46.1865    8.3234  O     
8    O        12.4818   45.9625    9.2116  O     
9    C        11.7729   46.4613    8.0661  C     
10   C        12.1121   45.7212    6.7538  C     
11   C        17.1004   44.5703   12.7678  C     
12   C        17.0696   44.2759   14.1609  C     
13   C        18.2452   44.0424   14.8934  C     
14   C        19.4923   44.0770   14.2533  C     
15   C        19.5544   44.3634   12.8792  C     
16   C        18.3757   44.6006   12.1454  C     
17   C        12.4587   45.2469   12.2243  C     
18   C        10.8649   46.3396   13.7247  C     
19   C        12.0786   46.3499   13.0181  C     
20   C        11.5838   44.1400   12.1171  C     
21   C        10.3636   44.1305   12.8158  C     
22   C        10.0221   45.2171   13.6431  C     
23   Cl        8.6633   45.1331   14.6454  Cl    
24   H        16.4792   45.2604   10.0727  H     
25   H        10.7076   46.3353    8.2681  H     
26   H        11.9632   47.5321    7.9495  H     
27   H        13.1561   45.8868    6.4772  H     
28   H        11.4813   46.0906    5.9431  H     
29   H        11.9514   44.6474    6.8753  H     
30   H        16.1769   44.2360   14.6646  H     
31   H        18.1880   43.8333   15.8936  H     
32   H        20.3486   43.9042   14.7870  H     
33   H        20.4616   44.3936   12.4139  H     
34   H        18.4708   44.8077   11.1496  H     
35   H        10.6186   47.1291   14.3347  H     
36   H        12.7123   47.1449   13.1434  H     
37   H        11.8554   43.3132   11.5808  H     
38   H         9.7628   43.3064   12.7769  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    6 1
     5    3    4 2
     6    3   17 1
     7    4    5 1
     8    5   11 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   15   16 2
    19   17   19 1
    20   17   20 2
    21   18   19 2
    22   18   22 1
    23   20   21 1
    24   21   22 2
    25   22   23 1
    26    1   24 1
    27    9   25 1
    28    9   26 1
    29   10   27 1
    30   10   28 1
    31   10   29 1
    32   12   30 1
    33   13   31 1
    34   14   32 1
    35   15   33 1
    36   16   34 1
    37   18   35 1
    38   19   36 1
    39   20   37 1
    40   21   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6367
  Crash		| -0.9348
  Polar		| 2.1564
  FragIndex	| 1
  FragRMSD	| 0.709