frag_29.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:			Bromine
#	Creating user name:	arthur
#	Creation time:		Fri Jan  1 17:22:38 1999

#	Modifying user name:	arthur
#	Modification time:	Fri Jan  1 17:23:28 1999

@<TRIPOS>MOLECULE
Bromine
    2     1     1     1     0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 H1         -3.9167    0.5939   -0.8910 H.spc     1 <1>         0.0000 
      2 Br2        -3.2516    1.3307   -1.0664 Br        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