22 Last coordinate set from file 4MBMd_opt.log C -0.128924 -0.805695 -0.493913 C 1.260651 -0.850117 -0.413108 C 1.958245 0.252758 0.088513 C 1.252129 1.399639 0.480668 C -0.123934 1.438275 0.371316 C -0.841364 0.327269 -0.099299 H -0.654124 -1.660897 -0.903313 H 1.784005 -1.737521 -0.743694 O 3.304079 0.314628 0.226839 H 1.813878 2.247167 0.855916 H -0.672515 2.332401 0.643469 C -2.318021 0.471588 -0.264780 O -2.832674 1.519601 -0.558575 O -3.111847 -0.626387 -0.124462 C -2.782556 -1.697891 0.759107 H -1.986199 -1.425902 1.455312 H -2.478501 -2.584283 0.193005 H -3.690289 -1.932771 1.321286 C 4.076908 -0.807669 -0.161856 H 5.115953 -0.542170 0.037563 H 3.813587 -1.699661 0.420222 H 3.958926 -1.028041 -1.230074