forbid_009.mol2

药物开发中的基于结构的从头设计代码

#	Name:			HN-CO-OH
#	Creating user name:	arthur
#	Creation time:		Fri Jan  8 20:47:39 1999

#	Modifying user name:	arthur
#	Modification time:	Fri Jan  8 20:48:22 1999

@<TRIPOS>MOLECULE
HN-CO-OH
    7     6     1     1     0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 O1         -1.5899    3.4295   -4.0561 O.2       1 <1>         0.0000 
      2 C2         -1.6577    4.4778   -3.4307 C.2       1 <1>         0.0000 
      3 N3         -2.6133    5.4100   -3.6351 N.am      1 <1>         0.0000 
      4 O4         -0.7780    4.7998   -2.4737 O.3       1 <1>         0.0000 
      5 H1         -2.6331    6.2568   -3.1004 H         1 <1>         0.0000 
      6 H2         -3.3157    5.2564   -4.3316 H         1 <1>         0.0000 
      7 H3         -0.1099    4.1359   -2.3387 H         1 <1>         0.0000 
@<TRIPOS>BOND
     1    2    1 2    
     2    2    3 am   
     3    2    4 1    
     4    3    5 1    
     5    3    6 1    
     6    4    7 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