@<TRIPOS>MOLECULE
BindingDB_50160906
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        26.7589   42.2637   13.6466  N     
2    N        27.0628   43.6977   19.6375  N     
3    C        27.0232   43.0307   14.7409  C     
4    C        28.0553   44.7892   19.5684  C     
5    C        27.2526   43.2910   17.1892  C     
6    C        27.6121   44.6513   17.0299  C     
7    C        27.0042   42.4904   16.0508  C     
8    C        27.9478   45.5221   18.1933  C     
9    O        26.7418   42.7454   12.4326  O     
10   O        26.5192   41.0838   13.7216  O     
11   C        29.4828   44.3020   19.9580  C     
12   C        27.1139   42.6957   18.5477  C     
13   C        27.3186   44.4072   14.6105  C     
14   C        27.6069   45.2060   15.7324  C     
15   F        30.1514   43.7329   18.9000  F     
16   F        30.2451   45.3484   20.4266  F     
17   H        27.1815   43.2181   20.5312  H     
18   H        26.1415   44.1330   19.6280  H     
19   H        27.7626   45.5103   20.3434  H     
20   H        26.7678   41.5069   16.1866  H     
21   H        27.1612   46.2804   18.2588  H     
22   H        28.8890   46.0438   17.9841  H     
23   H        29.4030   43.5495   20.7469  H     
24   H        27.9265   41.9908   18.7279  H     
25   H        26.1759   42.1471   18.6043  H     
26   H        27.3225   44.8550   13.6896  H     
27   H        27.8174   46.2009   15.5936  H     
@<TRIPOS>BOND
     1    1    3 am
     2    1    9 1
     3    1   10 2
     4    2    4 1
     5    2   12 1
     6    3    7 1
     7    3   13 2
     8    4    8 1
     9    4   11 1
    10    5    6 1
    11    5    7 2
    12    5   12 1
    13    6    8 1
    14    6   14 2
    15   11   15 1
    16   11   16 1
    17   13   14 1
    18    2   17 1
    19    2   18 1
    20    4   19 1
    21    7   20 1
    22    8   21 1
    23    8   22 1
    24   11   23 1
    25   12   24 1
    26   12   25 1
    27   13   26 1
    28   14   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7038
  Crash		| -0.4142
  Polar		| 3.3205
  FragIndex	| 1
  FragRMSD	| 0.667