forbid_007.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-Br-ethylene
#	Creating user name:	arthur
#	Creation time:		Fri Jan  8 20:47:05 1999

#	Modifying user name:	arthur
#	Modification time:	Fri Jan  8 20:47:26 1999

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


@<TRIPOS>ATOM
      1 C1         -2.3105    4.5993   -4.0984 C.2       1 <1>         0.0000 
      2 C2         -1.1893    4.5393   -3.3726 C.2       1 <1>         0.0000 
      3 Br3        -0.3936    2.8698   -2.9739 Br        1 <1>         0.0000 
      4 Br4        -0.3771    6.1227   -2.7306 Br        1 <1>         0.0000 
      5 H1         -2.7726    5.5582   -4.3308 H         1 <1>         0.0000 
      6 H2         -2.7821    3.6903   -4.4705 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