PM7 SPARKLE PRECISE NOINTER XYZ T=10D GNORM=0.25 + NOLOG GEO-OK EF SCFCRT=1.D-10 COORDINATION NUMBER = 7 Ho 0.0000000 1 0.0000000 1 0.0000000 1 O 2.1932000 1 0.0000000 1 0.0000000 1 O -0.1756366 1 0.2097337 1 -2.1750642 1 O -0.1751541 1 -2.1856115 1 -0.0188828 1 N 0.6784780 1 2.3774838 1 0.0000000 1 N -1.4299179 1 1.5347780 1 1.7053336 1 N -2.4235179 1 0.0251958 1 -0.4842319 1 N 0.1744330 1 -0.7151101 1 2.3606780 1 C 3.2091524 1 0.7680240 1 -0.1880920 1 C 4.5093414 1 0.2489286 1 -0.3067243 1 C 5.5950042 1 1.0533259 1 -0.5401140 1 C 5.4850734 1 2.4153398 1 -0.6645792 1 C 4.2423282 1 2.9673020 1 -0.5325776 1 C 3.0980061 1 2.1899278 1 -0.2994579 1 C 1.8490541 1 2.8912059 1 -0.1182522 1 C -0.4360120 1 3.2875746 1 0.2949921 1 C -0.9533200 1 2.9413178 1 1.6705388 1 C -1.0211047 1 0.1072589 1 -3.1405078 1 C -0.6071350 1 0.1223264 1 -4.4830528 1 C -1.4939567 1 -0.0191161 1 -5.5191303 1 C -2.8415888 1 -0.1760579 1 -5.3143981 1 C -3.2930541 1 -0.1729627 1 -4.0249517 1 C -2.4284010 1 -0.0377791 1 -2.9286177 1 C -3.0286102 1 0.0111869 1 -1.6164022 1 C 0.0033736 1 -3.2257804 1 0.7182182 1 C -0.0330233 1 -4.5224358 1 0.1786775 1 C 0.1883805 1 -5.6363326 1 0.9470548 1 C 0.4512337 1 -5.5591655 1 2.2915293 1 C 0.4730237 1 -4.3191615 1 2.8646066 1 C 0.2591816 1 -3.1473528 1 2.1236722 1 C 0.2470170 1 -1.8995975 1 2.8501747 1 C -2.8692557 1 1.5220218 1 1.3413584 1 C -3.2437573 1 0.1968907 1 0.7220441 1 C -1.2977640 1 1.0342495 1 3.0980318 1 C 0.0586129 1 0.4040095 1 3.3048869 1 H 4.6582581 1 -0.8164768 1 -0.2111458 1 H 6.5707263 1 0.5989564 1 -0.6290790 1 H 6.3512007 1 3.0299526 1 -0.8601775 1 H 4.1372150 1 4.0392537 1 -0.6103900 1 H 1.9059010 1 3.9689436 1 -0.0776325 1 H -1.2245089 1 3.1873791 1 -0.4508856 1 H -0.0759004 1 4.3163605 1 0.2906115 1 H -0.1433757 1 3.0567048 1 2.3908000 1 H -1.7746068 1 3.6096837 1 1.9287188 1 H 0.4419941 1 0.2492381 1 -4.7058120 1 H -1.1186471 1 -0.0065586 1 -6.5317433 1 H -3.5220456 1 -0.2978489 1 -6.1440544 1 H -4.3524606 1 -0.2782543 1 -3.8433709 1 H -4.1077489 1 0.0391710 1 -1.5835896 1 H -0.2418291 1 -4.6456853 1 -0.8737529 1 H 0.1546970 1 -6.6082872 1 0.4776363 1 H 0.6346144 1 -6.4481833 1 2.8766951 1 H 0.6614220 1 -4.2382773 1 3.9248650 1 H 0.3055563 1 -1.9708398 1 3.9262313 1 H -3.0562695 1 2.3145215 1 0.6168917 1 H -3.4713684 1 1.6889201 1 2.2345019 1 H -3.0740383 1 -0.6193194 1 1.4240971 1 H -4.2979588 1 0.2100676 1 0.4456971 1 H -2.0660620 1 0.2819505 1 3.2759266 1 H -1.4237122 1 1.8625449 1 3.7952862 1 H 0.8524133 1 1.1325435 1 3.1399048 1 H 0.1326150 1 0.0277246 1 4.3250905 1 0