1 12 N-MethylAcetamide 2 1 C 1.264977 1.637053 0.223523 130 2 6 7 8 3 2 C 1.648975 1.636385 1.689384 124 1 3 5 4 3 N 0.624609 1.628765 2.568687 126 2 4 9 5 4 C 0.854812 1.627298 3.991018 128 3 10 11 12 6 5 O 2.829287 1.642487 2.041024 125 2 7 6 H 0.163805 1.631025 0.070204 131 1 8 7 H 1.687040 0.740142 -0.280874 131 1 9 8 H 1.676691 2.540727 -0.277344 131 1 10 9 H -0.356279 1.623728 2.259758 127 3 11 10 H -0.105840 1.620668 4.552246 129 4 12 11 H 1.420214 2.529698 4.313876 129 4 13 12 H 1.430570 0.730205 4.310344 129 4 14