E=-627.976965682 Eh H=-627.741531 Eh G=-627.798257 Eh 27 0 1 C -0.100192 1.215183 0.344234 C 1.279145 1.179073 0.267393 C 1.959418 -0.020219 -0.039685 C 1.179089 -1.173717 -0.247319 C -0.205913 -1.120000 -0.191029 C -0.874909 0.073079 0.099127 C -2.327009 0.090049 0.295475 N -2.798869 1.322594 -1.187409 N -3.181642 1.520521 -0.116481 H 1.833408 2.089180 0.458669 H -0.593642 2.150305 0.592444 H -0.784553 -2.021563 -0.360126 H 1.651944 -2.124315 -0.459612 O -2.980202 -1.019002 -0.032605 C -4.264093 -1.146592 0.578701 H -4.186308 -1.000565 1.658245 H -4.952170 -0.407174 0.158371 H -4.617127 -2.151567 0.350927 N 3.339316 -0.056275 -0.131667 C 3.998138 -1.341158 -0.228741 H 3.693029 -1.865836 -1.139936 H 5.075644 -1.185549 -0.282839 H 3.782219 -1.993920 0.630074 C 4.102546 1.078811 0.342581 H 5.165106 0.868279 0.221091 H 3.874229 1.974890 -0.243719 H 3.910877 1.304917 1.401734