forbid_014.mol2

药物开发中的基于结构的从头设计代码

#	Name:			<unnamed>
#	Creating user name:	arthur
#	Creation time:		Fri Jan  8 20:53:10 1999

#	Modifying user name:	arthur
#	Modification time:	Fri Jan  8 20:54:12 1999

@<TRIPOS>MOLECULE
****
    8     8     1     1     0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1         -2.0360   -1.6074   -2.9519 C.ar      1 <1>         0.0000 
      2 C2         -2.9773   -0.7475   -2.3853 C.ar      1 <1>         0.0000 
      3 C3         -2.1260    0.3341   -2.6123 C.ar      1 <1>         0.0000 
      4 C4         -1.1847   -0.5257   -3.1790 C.ar      1 <1>         0.0000 
      5 H1         -1.9865   -2.6743   -3.1386 H         1 <1>         0.0000 
      6 H2         -3.9623   -0.8690   -1.9491 H         1 <1>         0.0000 
      7 H3         -2.1751    1.4010   -2.4257 H         1 <1>         0.0000 
      8 H4         -0.1995   -0.4040   -3.6153 H         1 <1>         0.0000 
@<TRIPOS>BOND
     1    2    1 ar   
     2    2    3 ar   
     3    3    4 ar   
     4    1    4 ar   
     5    1    5 1    
     6    2    6 1    
     7    3    7 1    
     8    4    8 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