thiophene - sample mm2 input file                           1   9    0    0 5.00
TT  T T                                                     01                  
    1        0.00008         4    0    0    0    0    0    0    0         1    0
    1    3    7    5    2    1                                                  
    1    4    2    6    5    8    7    9                                        
   1.24160   0.56080   0.00010    2(  1)                                        
   0.73460  -0.67460  -0.00020    2(  2)                                        
   0.00000   1.83780  -0.00140   15(  3)                                        
   2.30930   0.77770   0.00090    5(  4)                                        
  -0.73460  -0.67450  -0.00010    2(  5)                                        
   1.33660  -1.58290  -0.00010    5(  6)                                        
  -1.24160   0.56070   0.00010    2(  7)                                        
  -1.33670  -1.58290  -0.00040    5(  8)                                        
  -2.30930   0.77780   0.00100    5(  9)