$CONTRL COORD=CART UNITS=ANGS $END $DATA GME_final.inp Put symmetry info here C 6.0 37.57100 28.89100 53.77100 C 6.0 37.56200 28.95100 52.24400 C 6.0 36.79000 30.09100 51.70200 C 6.0 36.83900 30.17400 50.18700 N 7.0 36.36900 28.95400 49.53500 H 1.0 37.08600 28.34900 49.19000 C 6.0 35.09000 28.61600 49.38100 N 7.0 34.11400 29.38700 49.83100 H 1.0 33.16100 29.11200 49.70400 H 1.0 34.32900 30.24400 50.29800 N 7.0 34.78700 27.47000 48.77500 H 1.0 33.83000 27.20600 48.65400 H 1.0 35.51600 26.87300 48.44100 H 1.0 38.15500 28.03100 54.09700 H 1.0 36.54900 28.79600 54.13700 H 1.0 38.01600 29.80300 54.16800 H 1.0 37.12500 28.02700 51.86500 H 1.0 38.59100 29.03100 51.89300 H 1.0 37.19800 31.01400 52.11400 H 1.0 35.75000 29.98800 52.01200 H 1.0 37.86900 30.35600 49.88200 H 1.0 36.21500 31.00700 49.86200 N 7.0 30.03100 33.81700 50.08400 C 6.0 29.25900 33.75500 48.85700 C 6.0 28.87900 32.33700 48.51300 O 8.0 29.49500 31.40200 49.00600 C 6.0 30.47100 34.98000 50.51900 O 8.0 30.27100 36.03500 49.94100 H 1.0 30.23000 32.98800 50.60600 H 1.0 28.05600 32.14500 47.82500 H 1.0 31.04600 35.00000 51.44500 H 1.0 29.85400 34.16900 48.04300 H 1.0 28.35100 34.34600 48.97800 C 6.0 26.79000 32.56600 55.15800 C 6.0 27.17400 33.27000 53.85900 C 6.0 27.17500 32.40900 52.61600 C 6.0 28.43400 31.59800 52.40300 O 8.0 29.44900 31.80800 53.12600 O 8.0 28.39400 30.77000 51.46400 H 1.0 26.82300 33.27900 55.98100 H 1.0 27.49100 31.75400 55.35200 H 1.0 25.78200 32.16200 55.06800 H 1.0 28.17700 33.67600 53.98400 H 1.0 26.47400 34.09000 53.70000 H 1.0 27.04300 33.06100 51.75300 H 1.0 26.33200 31.72100 52.67700 C 6.0 39.46200 27.25500 39.86200 C 6.0 38.72000 26.98900 41.16700 C 6.0 38.29400 28.25500 41.85700 C 6.0 36.98100 28.73000 41.76000 C 6.0 36.59600 29.90400 42.38400 C 6.0 39.21500 29.01500 42.58000 C 6.0 38.84000 30.19300 43.20300 C 6.0 37.52600 30.63300 43.10100 O 8.0 37.15000 31.80000 43.72800 H 1.0 37.89900 32.17500 44.17200 H 1.0 39.74600 26.30700 39.40600 H 1.0 40.35700 27.84300 40.06600 H 1.0 38.81400 27.80600 39.18100 H 1.0 39.37700 26.43100 41.83500 H 1.0 37.83400 26.39100 40.95200 H 1.0 36.25000 28.16500 41.18200 H 1.0 35.56600 30.25200 42.31000 H 1.0 40.24800 28.67400 42.65700 H 1.0 39.57000 30.77100 43.77000 C 6.0 31.51100 30.46100 38.60200 C 6.0 31.71100 30.92000 40.04300 C 6.0 31.83800 29.91600 41.14000 C 6.0 33.05900 29.32100 41.40800 C 6.0 33.22600 28.49500 42.49500 C 6.0 30.78700 29.66900 42.00500 C 6.0 30.93400 28.80600 43.09400 C 6.0 32.17200 28.23600 43.32400 O 8.0 32.40100 27.40400 44.41000 H 1.0 31.59900 27.30200 44.90500 H 1.0 31.44100 31.33200 37.95000 H 1.0 30.59300 29.87800 38.53000 H 1.0 32.35700 29.84500 38.29700 H 1.0 30.85800 31.54800 40.29200 H 1.0 32.61400 31.53000 40.06100 H 1.0 33.90300 29.51100 40.74500 H 1.0 34.20000 28.04800 42.69500 H 1.0 29.82700 30.15600 41.83400 H 1.0 30.09000 28.58700 43.74800 C 6.0 32.35800 27.25800 55.53000 C 6.0 31.53600 28.02700 54.50700 C 6.0 30.32900 27.27100 53.99200 C 6.0 29.61800 28.04100 52.90700 O 8.0 30.24500 28.45600 51.92500 N 7.0 28.30500 28.26000 53.08700 H 1.0 27.85000 27.90000 53.90100 H 1.0 27.79200 28.78200 52.40500 H 1.0 33.20400 27.86700 55.84900 H 1.0 32.72400 26.33500 55.08200 H 1.0 31.73500 27.02100 56.39200 H 1.0 32.17900 28.26400 53.66000 H 1.0 31.19200 28.95400 54.96700 H 1.0 29.63800 27.10200 54.81800 H 1.0 30.65500 26.31100 53.59200 C 6.0 34.96900 29.30700 57.43000 C 6.0 34.70800 30.81500 57.31000 C 6.0 34.20300 31.24000 55.96600 N 7.0 32.86200 31.43700 55.70600 H 1.0 32.11900 31.34700 56.33900 C 6.0 34.85000 31.48700 54.80300 N 7.0 33.90500 31.83300 53.87200 C 6.0 32.71600 31.77700 54.43600 H 1.0 35.33200 29.08000 58.43200 H 1.0 35.71700 29.00800 56.69600 H 1.0 34.04200 28.76300 57.24800 H 1.0 35.64200 31.34100 57.50700 H 1.0 33.97100 31.09900 58.06100 H 1.0 35.92500 31.42300 54.63800 H 1.0 31.76800 31.97800 53.93800 O 8.0 31.25400 31.06200 51.23200 H 1.0 30.51500 31.34500 51.77000 H 1.0 31.95900 30.90100 51.85900 M 0.0 29.45100 29.74400 51.09800 N 7.0 25.92200 18.03300 47.29000 C 6.0 25.81800 19.36000 47.03800 N 7.0 24.85200 19.79500 46.19400 N 7.0 26.66400 20.23900 47.61800 C 6.0 26.55100 21.56700 47.36400 C 6.0 25.56400 22.02900 46.49900 C 6.0 24.69900 21.10200 45.91500 O 8.0 23.78500 21.44300 45.13700 N 7.0 25.67800 23.37600 46.43500 C 6.0 26.70800 23.73800 47.23300 N 7.0 27.25000 22.62800 47.78600 C 6.0 28.37800 22.57600 48.75500 C 6.0 29.66300 23.25500 48.30400 O 8.0 30.63900 22.31600 47.85200 C 6.0 30.15600 23.97900 49.54500 O 8.0 31.11400 23.18800 50.26000 C 6.0 28.94200 24.15600 50.43100 O 8.0 27.91900 23.32800 49.87600 C 6.0 28.49400 25.61500 50.44400 O 8.0 28.51300 26.04900 49.08300 P 15.0 28.23500 27.56500 48.66700 O 8.0 27.05600 27.59400 47.73100 O 8.0 28.18000 28.39300 49.94000 O 8.0 29.55300 27.85600 47.77700 P 15.0 31.01200 28.18400 48.40400 O 8.0 30.86600 28.74500 49.79600 O 8.0 31.90600 27.01100 48.14400 O 8.0 31.49200 29.38800 47.47000 C 6.0 32.02900 30.56000 48.07200 O 8.0 33.42900 30.39200 48.32200 C 6.0 34.28500 30.39600 47.17100 C 6.0 35.72100 30.25100 47.65900 O 8.0 35.85000 28.91900 48.16500 C 6.0 31.74400 31.78100 47.20100 O 8.0 31.96300 32.95300 48.00400 C 6.0 32.62500 31.77600 45.95000 O 8.0 32.39500 32.95700 45.17200 C 6.0 34.08900 31.67100 46.35200 O 8.0 34.90400 31.63900 45.18200 H 1.0 26.74400 17.85900 47.98400 H 1.0 26.11200 17.50000 46.35900 H 1.0 27.04700 24.76000 47.40400 H 1.0 36.49900 31.01300 47.62900 H 1.0 24.18300 19.06900 45.73100 H 1.0 25.88400 21.66100 48.22100 H 1.0 24.85900 22.13600 47.32400 H 1.0 28.58400 21.54200 49.02900 H 1.0 29.17200 23.83500 51.44700 H 1.0 29.17900 26.21500 51.04200 H 1.0 27.48500 25.69500 50.85000 H 1.0 31.53200 30.70800 49.03100 H 1.0 34.03800 29.54000 46.54200 $END