@<TRIPOS>MOLECULE
BindingDB_30190
 37 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       239.1855   82.8417  184.0299  C     
2    C       240.5606   83.0974  183.8649  C     
3    N       240.9610   84.0461  182.9874  N     
4    C       240.0954   84.7422  182.2182  C     
5    C       238.7157   84.4878  182.3112  C     
6    C       238.2326   83.5611  183.2675  C     
7    C       236.8344   83.3836  183.4517  C     
8    C       234.6555   83.5494  183.1248  C     
9    N       235.8687   83.9228  182.6854  N     
10   C       236.1911   82.6332  184.4428  C     
11   C       232.1618   83.1905  183.3343  C     
12   C       233.3368   83.8702  182.5546  C     
13   C       234.8234   82.7467  184.2405  C     
14   C       233.7577   82.2056  184.9130  C     
15   N       232.5216   82.4057  184.4853  N     
16   O       233.9315   81.4932  185.8913  O     
17   C       241.5486   82.4069  184.5817  C     
18   C       243.1786   82.3298  186.4051  C     
19   C       243.5427   81.0249  186.0232  C     
20   C       242.9347   80.4171  184.9081  C     
21   C       241.9335   81.1052  184.1918  C     
22   C       242.1908   83.0226  185.6777  C     
23   Cl      243.3630   78.8484  184.4479  Cl    
24   H       238.8890   82.1521  184.7193  H     
25   H       240.4591   85.4501  181.5872  H     
26   H       238.0826   85.0048  181.6973  H     
27   H       236.0221   84.4899  181.9118  H     
28   H       236.6276   82.0899  185.1888  H     
29   H       231.4640   83.9609  183.6713  H     
30   H       231.6159   82.5297  182.6555  H     
31   H       233.2120   84.9570  182.5596  H     
32   H       233.3353   83.5333  181.5139  H     
33   H       231.8006   81.9770  184.9757  H     
34   H       243.6249   82.7753  187.2060  H     
35   H       244.2578   80.5268  186.5580  H     
36   H       241.4986   80.6572  183.3808  H     
37   H       241.9312   83.9663  185.9697  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2   17 1
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    6    7 1
     9    7    9 1
    10    7   10 2
    11    8    9 1
    12    8   12 1
    13    8   13 2
    14   10   13 1
    15   11   12 1
    16   11   15 1
    17   13   14 1
    18   14   15 1
    19   14   16 2
    20   17   21 1
    21   17   22 2
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   20   21 2
    26   20   23 1
    27    1   24 1
    28    4   25 1
    29    5   26 1
    30    9   27 1
    31   10   28 1
    32   11   29 1
    33   11   30 1
    34   12   31 1
    35   12   32 1
    36   15   33 1
    37   18   34 1
    38   19   35 1
    39   21   36 1
    40   22   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.9071
  Crash		| -1.7961
  Polar		| 0.0007
  FragIndex	| 1
  FragRMSD	| 1.197