@<TRIPOS>MOLECULE
BindingDB_50017869
 20 20 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -23.9154   59.2895   50.4833  C     
2    N       -22.9804   58.3131   50.2536  N     
3    C       -23.8614   60.5583   49.8323  C     
4    C       -24.8213   61.5538   50.1104  C     
5    C       -24.9796   59.0729   51.4059  C     
6    O       -22.9831   57.1615   50.8753  O     
7    O       -22.0616   58.4521   49.4875  O     
8    C       -25.8455   61.3131   51.0462  C     
9    C       -25.9443   60.0666   51.6955  C     
10   O       -22.8633   60.8899   48.9730  O     
11   O       -24.7386   62.7626   49.4957  O     
12   O       -28.2634   60.2025   52.2645  O     
13   C       -26.9696   59.8634   52.7490  C     
14   H       -25.0381   58.1860   51.9104  H     
15   H       -26.5113   62.0631   51.2651  H     
16   H       -23.2008   60.6280   48.0752  H     
17   H       -25.6550   62.9920   49.2222  H     
18   H       -28.5915   59.4206   51.7534  H     
19   H       -26.9849   58.8288   53.1246  H     
20   H       -26.7349   60.5348   53.5756  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    3 1
     3    1    5 2
     4    2    6 1
     5    2    7 2
     6    3    4 2
     7    3   10 1
     8    4    8 1
     9    4   11 1
    10    5    9 1
    11    8    9 2
    12    9   13 1
    13   12   13 1
    14    5   14 1
    15    8   15 1
    16   10   16 1
    17   11   17 1
    18   12   18 1
    19   13   19 1
    20   13   20 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8125
  Crash		| -0.2481
  Polar		| 5.0465
  FragIndex	| 1
  FragRMSD	| 0.105