# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.315576 1.600332 0.000000 10.033435 1.248622 32.361804 2 2.771856 1.600332 0.000000 10.071809 1.248623 32.495551 3 5.543720 1.600332 0.000000 9.999868 1.248621 32.060722 4 9.701508 4.000837 0.000000 10.056026 1.248619 32.230501 5 4.157788 4.000837 0.000000 10.065368 1.248621 32.434479 6 6.929652 4.000837 0.000000 10.073380 1.248618 32.556012 7 11.087436 6.401334 0.000000 10.033468 1.248621 32.022247 8 5.543716 6.401334 0.000000 10.008399 1.248622 32.017972 9 8.315580 6.401334 0.000000 10.013718 1.248619 32.036293 10 0.000000 0.000000 2.263219 9.922104 1.241849 14.996725 11 2.771856 0.000000 2.263219 9.990108 1.241848 15.259943 12 5.543720 0.000000 2.263219 9.929990 1.241850 15.050468 13 9.701504 2.400498 2.263219 9.915655 1.241848 14.987564 14 4.157784 2.400498 2.263219 9.985691 1.241847 15.284372 15 6.929648 2.400498 2.263219 9.995572 1.241849 15.308190 16 11.087436 4.801002 2.263219 9.969402 1.241850 15.197040 17 5.543716 4.801002 2.263219 9.955362 1.241849 15.152458 18 8.315580 4.801002 2.263219 9.953883 1.241852 15.143297 19 1.407324 0.821756 4.545448 10.006250 1.253020 15.420562 20 4.176901 0.811501 4.579154 10.034127 1.266230 15.638587 21 6.939560 0.817810 4.562817 9.993684 1.248617 15.431554 22 2.793701 3.216636 4.585617 10.004444 1.264800 15.532933 23 5.566397 3.212589 4.589428 9.994245 1.275932 15.540873 24 8.334831 3.226524 4.582417 10.011440 1.268635 15.562248 25 4.172286 5.607642 4.563490 10.013113 1.248814 15.515222 26 6.950204 5.605626 4.569596 9.988007 1.268960 15.413844 27 9.717075 5.608399 4.575006 9.983059 1.270499 15.406515 28 8.352069 1.643015 6.855909 10.133972 1.262847 15.892645 29 2.812423 1.635266 6.926205 10.143636 1.249525 16.053873 30 5.569902 1.631925 6.947701 10.175603 1.259617 16.299381 31 9.770752 4.035533 6.972269 10.146826 1.251598 16.380606 32 4.197882 4.011041 6.933763 10.134827 1.247277 16.353124 33 6.968931 4.031306 6.981891 10.188319 1.253954 16.626724 34 11.120782 6.428181 6.897110 10.160122 1.253609 16.143038 35 5.579552 6.452731 6.849720 10.157537 1.263525 15.976923 36 8.352227 6.420721 6.903026 10.147079 1.263727 16.072806 37 8.346589 0.109945 8.967673 10.832502 1.036215 24.073176 38 2.809534 0.010183 8.976894 10.820860 1.056978 21.842844 39 9.757322 7.178052 9.007716 10.839986 1.047509 26.698641 40 9.697874 2.385151 9.004768 10.814095 1.044483 23.182753 41 4.158773 2.235122 9.098538 10.736521 0.884078 14.602814 42 7.033559 2.323960 8.994242 10.815274 1.025574 24.908635 43 2.959405 4.961733 9.100096 10.730269 1.006041 19.641215 44 5.524935 4.994644 8.929462 10.671525 0.879431 12.578903 45 8.448779 4.865182 9.018410 10.827983 1.051138 26.420155 46 4.669845 4.463274 10.633323 3.584276 0.367965 12.836014 47 3.992695 2.956958 10.893643 2.932735 0.141866 9.993745 48 5.651523 4.797971 11.270071 6.743337 0.540312 40.870290 49 3.522287 2.686505 11.956104 7.257010 0.671708 52.527624 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0041 VACUUM VOLUME: 238.7170 NUMBER OF ELECTRONS: 479.0000