@<TRIPOS>MOLECULE
BindingDB_50017867
 16 16 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -23.9158   59.3139   50.4911  C     
2    N       -23.0040   58.3158   50.2489  N     
3    C       -23.8466   60.5893   49.8607  C     
4    C       -24.8206   61.5795   50.1146  C     
5    C       -24.9967   59.0817   51.3822  C     
6    C       -25.8740   61.3218   51.0068  C     
7    O       -23.0767   57.1506   50.8333  O     
8    O       -22.0892   58.4220   49.4788  O     
9    C       -25.9663   60.0697   51.6439  C     
10   O       -22.8493   60.9047   48.9961  O     
11   O       -24.7468   62.7858   49.4988  O     
12   Cl      -27.2402   59.7676   52.7195  Cl    
13   H       -25.0894   58.1801   51.8592  H     
14   H       -26.5779   62.0429   51.1840  H     
15   H       -23.2034   60.6752   48.1089  H     
16   H       -25.6865   63.0034   49.2454  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    3 1
     3    1    5 2
     4    2    7 1
     5    2    8 2
     6    3    4 2
     7    3   10 1
     8    4    6 1
     9    4   11 1
    10    5    9 1
    11    6    9 2
    12    9   12 1
    13    5   13 1
    14    6   14 1
    15   10   15 1
    16   11   16 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1742
  Crash		| -0.1454
  Polar		| 5.0497
  FragIndex	| 1
  FragRMSD	| 0.111