@<TRIPOS>MOLECULE
2_nitrothiophene_s_CHRG
   11    11    1     0    0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
   1 C1      46.3935    49.0628    18.6953 C.2      1  AMG -0.2490
   2 N1      47.0304    49.9269    17.6896 N.2      1  AMG  0.3530
   3 C2      46.2486    47.6826    18.6129 C.2      1  AMG -0.0795
   4 S1      45.8315    49.4831    19.8935 S.3      1  AMG  0.1718
   5 O1      46.6604    51.0784    17.5553 O.2      1  AMG -0.1981
   6 O2      47.9266    49.4899    16.9923 O.3      1  AMG -0.1981
   7 C3      45.5974    47.2512    19.7621 C.2      1  AMG -0.1621
   8 C4      45.3390    48.3633    20.5543 C.2      1  AMG -0.1707
   9 H1      46.5782    47.0672    17.8130 H        1  AMG  0.1796
  10 H2      45.3434    46.2475    19.9951 H        1  AMG  0.1682
  11 H3      44.8512    48.3584    21.4968 H        1  AMG  0.1847
@<TRIPOS>BOND
   1    1    2 1 
   2    1    3 2 
   3    1    4 1 
   4    2    5 2 
   5    2    6 1 
   6    3    7 1 
   7    3    9 1 
   8    4    8 1 
   9    7    8 2 
  10    7   10 1 
  11    8   11 1 
@<TRIPOS>SUBSTRUCTURE
   1  AMG    1
@<TRIPOS>COMMENT
SMALL   
bcc