REMARK
REMARK TITLE MOLECULE
REMARK CHARGE-VALUE 0
REMARK MULTIPLICITY-VALUE 1
REMARK
REMARK REORIENT 1 5 6 | 6 5 1
REMARK
ATOM      1 CT1  ACN     1      0.190   0.391   1.095          C1
ATOM      2  H1  ACN     1      1.251   0.527   1.258          H11
ATOM      3  H1  ACN     1     -0.188  -0.327   1.812          H12
ATOM      4  H1  ACN     1     -0.315   1.336   1.241          H13
ATOM      5  C2  ACN     1     -0.047  -0.096  -0.269          C2
ATOM      6  N3  ACN     1     -0.230  -0.472  -1.324          N3
CONECT    1    2    3    4    5  
CONECT    2    1  
CONECT    3    1  
CONECT    4    1  
CONECT    5    1    6  
CONECT    6    5  
END