@<TRIPOS>MOLECULE
BindingDB_50174119
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.1662   44.4968   14.6690  C     
2    C        26.9948   43.0952   14.7738  C     
3    C        27.1402   42.5148   16.0603  C     
4    C        27.4557   45.2846   15.7954  C     
5    C        27.5691   44.7015   17.0774  C     
6    C        27.4419   43.2958   17.2007  C     
7    C        27.6024   42.6245   18.5153  C     
8    N        28.1841   43.4848   19.5710  N     
9    C        27.6164   44.8518   19.6310  C     
10   C        27.8763   45.5548   18.2617  C     
11   C        28.2072   45.6612   20.8237  C     
12   C        27.9255   45.0431   22.2123  C     
13   N        26.7026   42.3315   13.6819  N     
14   O        26.5567   41.1369   13.7409  O     
15   O        26.5556   42.8437   12.4906  O     
16   H        27.0844   44.9606   13.7612  H     
17   H        27.0371   41.5044   16.1718  H     
18   H        27.5801   46.2944   15.6772  H     
19   H        26.6255   42.2644   18.8466  H     
20   H        28.2643   41.7630   18.4047  H     
21   H        28.0445   43.0110   20.4617  H     
22   H        29.1870   43.5632   19.3981  H     
23   H        26.5353   44.7728   19.7843  H     
24   H        28.9292   45.8407   18.1871  H     
25   H        27.2771   46.4701   18.2193  H     
26   H        29.2898   45.7567   20.7079  H     
27   H        27.7824   46.6659   20.8130  H     
28   H        26.8521   44.9333   22.3828  H     
29   H        28.3287   45.6877   22.9976  H     
30   H        28.3955   44.0620   22.2972  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   13 am
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5   10 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12    9   10 1
    13    9   11 1
    14   11   12 1
    15   13   14 2
    16   13   15 1
    17    1   16 1
    18    3   17 1
    19    4   18 1
    20    7   19 1
    21    7   20 1
    22    8   21 1
    23    8   22 1
    24    9   23 1
    25   10   24 1
    26   10   25 1
    27   11   26 1
    28   11   27 1
    29   12   28 1
    30   12   29 1
    31   12   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9747
  Crash		| -0.4890
  Polar		| 2.3073
  FragIndex	| 1
  FragRMSD	| 0.024