forbid_006.mol2

来自「药物开发中的基于结构的从头设计代码」· MOL2 代码 · 共 34 行

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

#	Modifying user name:	arthur
#	Modification time:	Fri Jan  8 20:45:33 1999

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


@<TRIPOS>ATOM
      1 C1         -2.3110    4.6058   -4.0983 C.2       1 <1>         0.0000 
      2 C2         -1.1897    4.5564   -3.3716 C.2       1 <1>         0.0000 
      3 Cl3        -0.4588    3.0068   -3.0066 Cl        1 <1>         0.0000 
      4 Cl4        -0.4638    6.0419   -2.7928 Cl        1 <1>         0.0000 
      5 H1         -2.7795    5.5606   -4.3351 H         1 <1>         0.0000 
      6 H2         -2.7765    3.6922   -4.4667 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