@<TRIPOS>MOLECULE
BindingDB_50182380
 26 27 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        49.3793   96.5499   34.1516  C     
2    C        50.1641   97.3224   35.0318  C     
3    C        51.0287   96.6810   35.9354  C     
4    C        51.0958   95.2802   35.9694  C     
5    C        50.3501   94.5011   35.0633  C     
6    C        49.4739   95.1427   34.1552  C     
7    O        48.7111   94.4099   33.3124  O     
8    Cl       50.0545   99.0135   35.0209  Cl    
9    O        50.4069   93.1346   35.1664  O     
10   C        51.4738   92.5160   34.5499  C     
11   C        52.8139   92.9021   34.7843  C     
12   C        53.8684   92.2130   34.1596  C     
13   C        53.6000   91.0833   33.3645  C     
14   C        52.2765   90.6596   33.1782  C     
15   C        51.2084   91.3835   33.7443  C     
16   N        49.9374   91.0088   33.4956  N     
17   H        48.7211   97.0158   33.5153  H     
18   H        51.5998   97.2237   36.5815  H     
19   H        51.6886   94.8235   36.6642  H     
20   H        48.6137   94.9568   32.4929  H     
21   H        53.0289   93.6720   35.4033  H     
22   H        54.8445   92.5116   34.3092  H     
23   H        54.3728   90.5688   32.9309  H     
24   H        52.0959   89.8233   32.6318  H     
25   H        49.7625   90.2672   32.9002  H     
26   H        49.2048   91.5249   33.8649  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2    8 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5    9 1
     9    6    7 1
    10    9   10 1
    11   10   11 2
    12   10   15 1
    13   11   12 1
    14   12   13 2
    15   13   14 1
    16   14   15 2
    17   15   16 1
    18    1   17 1
    19    3   18 1
    20    4   19 1
    21    7   20 1
    22   11   21 1
    23   12   22 1
    24   13   23 1
    25   14   24 1
    26   16   25 1
    27   16   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.1549
  Crash		| -0.7975
  Polar		| 0.0020
  FragIndex	| 1
  FragRMSD	| 0.783