forbid_005.mol2

药物开发中的基于结构的从头设计代码

#	Name:			1-di-F-ethylene
#	Creating user name:	arthur
#	Creation time:		Fri Jan  8 20:44:15 1999

#	Modifying user name:	arthur
#	Modification time:	Fri Jan  8 20:45:04 1999

@<TRIPOS>MOLECULE
1-di-F-ethylene
    6     5     1     1     0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1         -2.3086    4.5543   -4.1004 C.2       1 <1>         0.0000 
      2 C2         -1.1887    4.5581   -3.3709 C.2       1 <1>         0.0000 
      3 F3         -0.5865    3.4130   -3.0607 F         1 <1>         0.0000 
      4 F4         -0.6670    5.7070   -2.9491 F         1 <1>         0.0000 
      5 H1         -2.8047    5.4900   -4.3565 H         1 <1>         0.0000 
      6 H2         -2.7389    3.6155   -4.4477 H         1 <1>         0.0000 
@<TRIPOS>BOND
     1    2    1 2    
     2    2    3 1    
     3    2    4 1    
     4    1    5 1    
     5    1    6 1    
@<TRIPOS>SUBSTRUCTURE
     1 ****        2 TEMP              0 ****  ****    0 ROOT 
@<TRIPOS>NORMAL
@<TRIPOS>FF_PBC
FORCE_FIELD_SETUP_FEATURE Force Field Setup information
v1.0  0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 NONE 0 0 0 0 0 0 0 0 0 0 0 0 0