15 Coordinates from ORCA-job orca E -419.985268608392 C -2.596402 0.131230 -0.074418 O -3.185945 -0.999533 -0.032262 C -1.137897 0.114223 -0.064624 C -0.510146 -1.112736 -0.010985 C 0.886606 -1.185594 0.000668 C 1.609414 -0.003754 -0.042727 O 2.994835 -0.131180 -0.028939 C 0.997237 1.237206 -0.096834 C -0.393078 1.263546 -0.106565 H -3.178461 1.041974 -0.114978 H -1.038777 -2.055724 0.023928 H 1.377187 -2.133676 0.042141 H 3.450537 -0.528115 0.783688 H 1.593759 2.136996 -0.129583 H -0.868870 2.225138 -0.148510 15 Coordinates from ORCA-job orca E -420.002682582115 C -2.624709 0.113890 -0.079890 O -3.287910 -0.935618 -0.043148 C -1.147973 0.083075 -0.061781 C -0.491424 -1.156733 -0.002127 C 0.908927 -1.209354 0.015654 C 1.644012 -0.010033 -0.020633 O 3.019797 -0.078497 -0.039180 C 1.007895 1.235082 -0.082365 C -0.392096 1.260349 -0.105026 H -3.164528 1.088978 -0.127905 H -1.040200 -2.106186 0.027877 H 1.425403 -2.175450 0.050834 H 3.425143 -0.502370 0.736381 H 1.608044 2.152739 -0.115910 H -0.890384 2.240130 -0.152780 15 Coordinates from ORCA-job orca E -420.008002867414 C -2.632005 0.093027 -0.087396 O -3.334176 -0.900764 -0.047443 C -1.150350 0.064839 -0.060396 C -0.472107 -1.174449 0.009875 C 0.925483 -1.209648 0.032178 C 1.665171 -0.001991 -0.002901 O 3.030811 -0.017834 -0.032892 C 1.002177 1.238627 -0.073019 C -0.399528 1.260007 -0.106718 H -3.120842 1.112824 -0.143758 H -1.042217 -2.117109 0.036718 H 1.460187 -2.174370 0.066549 H 3.389019 -0.572597 0.675569 H 1.597041 2.164320 -0.105561 H -0.918665 2.235117 -0.160804 15 Coordinates from ORCA-job orca E -420.011297712347 C -2.632618 0.076005 -0.095525 O -3.361384 -0.891881 -0.067131 C -1.149486 0.054901 -0.056171 C -0.453090 -1.177588 0.029955 C 0.940361 -1.197299 0.061462 C 1.676681 0.016492 0.024695 O 3.036264 0.044216 0.004274 C 0.989118 1.248359 -0.058423 C -0.410298 1.262230 -0.106068 H -3.073257 1.126646 -0.178954 H -1.040134 -2.111179 0.056838 H 1.490533 -2.155999 0.104238 H 3.360026 -0.701509 0.537878 H 1.576478 2.180005 -0.087629 H -0.949195 2.226603 -0.169438 15 Coordinates from ORCA-job orca E -420.013253721810 C -2.626678 0.066981 -0.130750 O -3.367024 -0.895196 -0.066500 C -1.146584 0.050952 -0.065983 C -0.442430 -1.174298 0.039743 C 0.947428 -1.186427 0.093088 C 1.677520 0.030059 0.058314 O 3.032808 0.082284 0.070387 C 0.978077 1.255224 -0.042736 C -0.416618 1.262814 -0.110707 H -3.039399 1.132345 -0.185483 H -1.040421 -2.099859 0.064192 H 1.504106 -2.139722 0.154430 H 3.345154 -0.791330 0.374757 H 1.560735 2.189021 -0.065204 H -0.966675 2.217155 -0.187550 15 Coordinates from ORCA-job orca E -420.013567485421 C -2.620807 0.070248 -0.104450 O -3.350623 -0.910870 -0.134935 C -1.145089 0.054563 -0.042117 C -0.442062 -1.166081 0.068011 C 0.946495 -1.179739 0.126209 C 1.671023 0.035205 0.081021 O 3.023543 0.092020 0.120690 C 0.971389 1.258527 -0.024837 C -0.419183 1.264032 -0.089710 H -3.019586 1.124358 -0.266386 H -1.046648 -2.084820 0.101421 H 1.501162 -2.130187 0.204475 H 3.348978 -0.829833 0.181317 H 1.553828 2.190410 -0.049649 H -0.972421 2.212166 -0.171060 15 Coordinates from ORCA-job orca E -420.014620595457 C -2.619513 0.071538 -0.129938 O -3.339972 -0.915953 -0.099971 C -1.144468 0.058402 -0.058719 C -0.444997 -1.162987 0.051186 C 0.945274 -1.178318 0.117446 C 1.668143 0.036473 0.074469 O 3.022148 0.081980 0.131649 C 0.974775 1.262039 -0.031700 C -0.416916 1.266368 -0.098530 H -3.046530 1.118802 -0.221412 H -1.042696 -2.086487 0.081371 H 1.496144 -2.129738 0.201755 H 3.356129 -0.832499 0.221963 H 1.558528 2.193059 -0.057053 H -0.966050 2.217322 -0.182516 15 Coordinates from ORCA-job orca E -420.014702895772 C -2.620268 0.072461 -0.130816 O -3.332688 -0.919387 -0.098559 C -1.144831 0.060947 -0.059246 C -0.447244 -1.161620 0.049894 C 0.944039 -1.178099 0.116652 C 1.667145 0.037129 0.075697 O 3.020670 0.078468 0.135232 C 0.977825 1.264442 -0.032032 C -0.415033 1.268246 -0.098901 H -3.060646 1.113365 -0.217606 H -1.040997 -2.088119 0.079375 H 1.492366 -2.131140 0.201281 H 3.358227 -0.833224 0.223052 H 1.562806 2.194858 -0.060224 H -0.961370 2.221674 -0.183800 15 Coordinates from ORCA-job orca E -420.014722570362 C -2.621108 0.072675 -0.130831 O -3.329959 -0.921651 -0.100320 C -1.145070 0.062543 -0.059128 C -0.448482 -1.160833 0.050216 C 0.943183 -1.177981 0.118015 C 1.667103 0.037380 0.077757 O 3.019729 0.077836 0.140346 C 0.980006 1.265868 -0.031423 C -0.413441 1.269277 -0.098814 H -3.069640 1.110115 -0.217718 H -1.039360 -2.089295 0.079467 H 1.489380 -2.132461 0.203635 H 3.359671 -0.833793 0.214334 H 1.565541 2.195943 -0.061022 H -0.957553 2.224379 -0.184513 15 Coordinates from ORCA-job orca E -420.014724349484 C -2.621339 0.072628 -0.130374 O -3.330169 -0.921937 -0.100937 C -1.145230 0.062946 -0.058953 C -0.448692 -1.160588 0.050360 C 0.942964 -1.177852 0.118188 C 1.667397 0.037282 0.077861 O 3.020023 0.077965 0.140512 C 0.980336 1.265946 -0.031399 C -0.413158 1.269370 -0.098697 H -3.071397 1.109548 -0.218131 H -1.038427 -2.089702 0.079654 H 1.488451 -2.132780 0.203740 H 3.359969 -0.833811 0.213690 H 1.565730 2.196055 -0.061133 H -0.956459 2.224930 -0.184381 15 Coordinates from ORCA-job orca E -420.014724888672 C -2.621354 0.072548 -0.130339 O -3.330573 -0.921822 -0.100239 C -1.145361 0.063104 -0.059157 C -0.448733 -1.160426 0.050246 C 0.942877 -1.177710 0.118213 C 1.667649 0.037161 0.077968 O 3.020274 0.078227 0.140731 C 0.980321 1.265797 -0.031320 C -0.413100 1.269294 -0.098814 H -3.071741 1.109373 -0.218711 H -1.037662 -2.089994 0.079569 H 1.487884 -2.132916 0.203743 H 3.359902 -0.833798 0.213294 H 1.565475 2.196039 -0.060772 H -0.955859 2.225123 -0.184410