29 E = -1013.75559387 H -1.98463 2.63571 0.13270 O -2.94418 2.47035 0.15337 C -3.22777 1.63717 -0.96473 C -2.44266 0.33909 -0.93576 H -3.02434 2.15717 -1.91903 H -4.30221 1.40540 -0.92587 H -2.71680 -0.29008 -1.80313 O -1.03679 0.67415 -1.00462 C -2.63498 -0.52184 0.33257 C -0.32796 -0.43019 -0.43602 H -3.16194 0.04047 1.12269 O -3.31124 -1.70676 -0.04092 C -1.18131 -0.77194 0.80031 H -0.31189 -1.31052 -1.10283 N 1.04707 -0.08350 -0.21128 H -3.32310 -2.30392 0.72821 F -0.97888 -2.04682 1.24706 F -0.88622 0.07123 1.85339 C 2.06655 -0.97198 -0.76717 C 1.38850 1.06661 0.43235 O 1.70285 -1.97136 -1.37284 N 3.36415 -0.61536 -0.55458 H 0.56416 1.68748 0.77580 C 2.69208 1.40738 0.61518 C 3.67051 0.49767 0.09461 H 2.96214 2.33137 1.12217 N 4.99141 0.77942 0.23804 H 5.65743 0.08188 -0.07427 H 5.30570 1.53851 0.82642