frag_27.mol2

来自「药物开发中的基于结构的从头设计代码」· MOL2 代码 · 共 26 行

#	Name:			Fluorine
#	Creating user name:	arthur
#	Creation time:		Fri Jan  1 17:18:34 1999

#	Modifying user name:	arthur
#	Modification time:	Fri Jan  1 17:20:27 1999

@<TRIPOS>MOLECULE
Fluorine
    2     1     1     1     0
SMALL
USER_CHARGES
INVALID_CHARGES

@<TRIPOS>ATOM
      1 H1         -2.5129    0.2031    0.0000 H.spc     1 <1>         0.0000 
      2 F2         -1.7385    0.8484    0.0000 F         1 <1>         0.0000 
@<TRIPOS>BOND
     1    2    1 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