@<TRIPOS>MOLECULE
BindingDB_50017844
 21 21 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -23.9422   59.2500   50.5078  C     
2    N       -23.0362   58.2526   50.2590  N     
3    C       -23.8718   60.5251   49.8881  C     
4    C       -24.9946   59.0251   51.4284  C     
5    C       -25.9346   60.0328   51.7578  C     
6    C       -24.8154   61.5315   50.1776  C     
7    C       -25.8266   61.2904   51.1257  C     
8    O       -23.0781   57.0914   50.8578  O     
9    O       -22.1219   58.3713   49.4907  O     
10   C       -26.9162   59.8141   52.7182  C     
11   O       -26.9296   60.5108   53.7262  O     
12   O       -22.8940   60.8343   49.0121  O     
13   O       -24.7358   62.7398   49.5671  O     
14   C       -28.0156   58.8973   52.5029  C     
15   H       -25.0531   58.1184   51.9057  H     
16   H       -26.4870   62.0431   51.3399  H     
17   H       -23.2428   60.5221   48.1427  H     
18   H       -25.6624   63.0021   49.3751  H     
19   H       -28.5653   59.1967   51.6059  H     
20   H       -28.7052   58.9108   53.3515  H     
21   H       -27.6585   57.8724   52.3751  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    3 1
     3    1    4 2
     4    2    8 1
     5    2    9 2
     6    3    6 2
     7    3   12 1
     8    4    5 1
     9    5    7 2
    10    5   10 1
    11    6    7 1
    12    6   13 1
    13   10   11 2
    14   10   14 1
    15    4   15 1
    16    7   16 1
    17   12   17 1
    18   13   18 1
    19   14   19 1
    20   14   20 1
    21   14   21 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5886
  Crash		| -0.3018
  Polar		| 5.0260
  FragIndex	| 1
  FragRMSD	| 0.139