PUCKERING ANALYSIS OF INPUT DATA TITL CELL 9.395 14.373 14.530 89.11 88.27 86.79 RING 7 1 2 3 4 5 6 7 N2A 3 0.16026 0.80486 0.83607 N3A 3 0.16690 0.76683 0.67568 C2A 3 0.22967 0.77866 0.75671 C4A 3 0.00334 0.81564 0.84855 C5A 3 -0.07075 0.73457 0.81505 C6A 3 -0.08399 0.73164 0.71253 C7A 3 0.01504 0.79191 0.65985 END ATOM COORDINATES 1 N2A 0.0000******************** 2 N3A -2.0000 0.0000 0.0000 3 C2A 0.0000******************** 4 C4A ********** 0.0000 0.0000 5 C5A 0.0000 0.0000 -2.0000 6 C6A 0.0000 2.0000 0.0000 7 C7A -2.0000 0.0000********** 7 MEMBERED RING CARTESIAN AND PUCKERING COORDINATES N2A ************* -2.0000************* 0.0000************* 0.0000 N3A 0.0000 0.0000 0.0000 ************* 0.0000 2.0000 C2A 2.0000 0.0000 0.0000 0.0000 2.0000 -2.0000 C4A 0.0000 -2.0000************* 2.0000 0.0000 0.0000 C5A -2.0000************* 0.0000 0.0000 0.0000 0.0000 C6A 2.0000 0.0000 2.0000 0.0000 0.0000 2.0000 C7A 0.0000 0.0000 0.0000 2.0000************* 0.0000 PUCKERING PARAMETERS M = 2 Q(M) =******* PHI(M) = 0.0000 M = 3 Q(M) = 0.0000 PHI(M) =********