@<TRIPOS>MOLECULE
BindingDB_30191
 37 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       239.1960   82.8826  183.9825  C     
2    C       240.5711   83.1363  183.7885  C     
3    N       240.9609   84.0794  182.8968  N     
4    C       240.0812   84.7884  182.1572  C     
5    C       238.7018   84.5523  182.2949  C     
6    C       238.2312   83.6112  183.2439  C     
7    C       236.8334   83.4175  183.4340  C     
8    C       234.6426   83.5833  183.1543  C     
9    N       235.8471   83.9858  182.7073  N     
10   C       236.2116   82.6199  184.4003  C     
11   C       232.1597   83.1530  183.3817  C     
12   C       233.3080   83.9092  182.6254  C     
13   C       234.8410   82.7300  184.2282  C     
14   C       233.7943   82.1354  184.8972  C     
15   N       232.5460   82.3384  184.5000  N     
16   O       233.9963   81.3989  185.8476  O     
17   C       241.5712   82.4288  184.4782  C     
18   C       243.2435   82.3260  186.2598  C     
19   C       243.5524   81.0027  185.8926  C     
20   C       242.8848   80.3969  184.8134  C     
21   C       241.8937   81.1050  184.1102  C     
22   C       242.2635   83.0411  185.5453  C     
23   Cl      244.7257   80.1329  186.7508  Cl    
24   H       238.9151   82.1824  184.6711  H     
25   H       240.4322   85.4832  181.5021  H     
26   H       238.0552   85.0789  181.7079  H     
27   H       235.9789   84.5802  181.9502  H     
28   H       236.6656   82.0387  185.1036  H     
29   H       231.4345   83.8823  183.7482  H     
30   H       231.6410   82.4952  182.6808  H     
31   H       233.1634   84.9871  182.7096  H     
32   H       233.2895   83.6454  181.5651  H     
33   H       231.8418   81.8792  184.9856  H     
34   H       243.7274   82.7747  187.0410  H     
35   H       243.0944   79.4311  184.5432  H     
36   H       241.4150   80.6471  183.3298  H     
37   H       242.0448   83.9981  185.8338  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   19   23 1
    26   20   21 2
    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   20   35 1
    39   21   36 1
    40   22   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.0285
  Crash		| -1.6404
  Polar		| 0.0007
  FragIndex	| 1
  FragRMSD	| 1.188