---------------- ATOM 1 SHELL: 1 4.52218652250828 4 1001.00000000000 SHELL: 2 5.17752424019555 4 1000.00000000000 SHELL: 3 6.72403278165350 4 1002.00000000000 SHELL: 4 7.32212500000000 4 1000.00000000000 SHELL: 5 8.10806200000000 2 1003.00000000000 SHELL: 6 8.60602611313610 8 1001.00000000000 SHELL: 7 9.62015730919492 8 1003.00000000000 SHELL: 8 9.94113330382285 8 1002.00000000000 SHELL: 9 10.3550484803911 4 1000.00000000000 SHELL: 10 10.9249340460924 8 1003.00000000000 SHELL: 11 11.1918924184041 4 1002.00000000000 SHELL: 12 11.2994336130447 4 1001.00000000000 SHELL: 13 11.5772961562302 8 1000.00000000000 SHELL: 14 12.3466451265111 4 1002.00000000000 SHELL: 15 13.1517184590872 8 1003.00000000000 SHELL: 16 13.3743026143704 8 1002.00000000000 SHELL: 17 13.4644240311731 8 1001.00000000000 SHELL: 18 14.0470234529218 4 1001.00000000000 SHELL: 19 14.1341591785612 16 1003.00000000000 SHELL: 20 14.3545519050797 8 1002.00000000000 SHELL: 21 14.6442500000000 4 1000.00000000000 SHELL: 22 15.2474747068615 4 1002.00000000000 SHELL: 23 15.3265856930647 8 1001.00000000000 SHELL: 24 15.5325727205866 4 1000.00000000000 SHELL: 25 15.8408453815622 8 1001.00000000000 ---------------- ATOM 2 SHELL: 1 4.52218652250828 4 1001.00000000000 SHELL: 2 5.17752424019555 4 1000.00000000000 SHELL: 3 6.72403278165350 4 1002.00000000000 SHELL: 4 7.32212500000000 4 1000.00000000000 SHELL: 5 8.10806200000000 2 1003.00000000000 SHELL: 6 8.60602611313610 8 1001.00000000000 SHELL: 7 9.62015730919492 8 1003.00000000000 SHELL: 8 9.94113330382285 8 1002.00000000000 SHELL: 9 10.3550484803911 4 1000.00000000000 SHELL: 10 10.9249340460924 8 1003.00000000000 SHELL: 11 11.1918924184041 4 1002.00000000000 SHELL: 12 11.2994336130447 4 1001.00000000000 SHELL: 13 11.5772961562302 8 1000.00000000000 SHELL: 14 12.3466451265111 4 1002.00000000000 SHELL: 15 13.1517184590872 8 1003.00000000000 SHELL: 16 13.3743026143704 8 1002.00000000000 SHELL: 17 13.4644240311731 8 1001.00000000000 SHELL: 18 14.0470234529218 4 1001.00000000000 SHELL: 19 14.1341591785612 16 1003.00000000000 SHELL: 20 14.3545519050797 8 1002.00000000000 SHELL: 21 14.6442500000000 4 1000.00000000000 SHELL: 22 15.2474747068615 4 1002.00000000000 SHELL: 23 15.3265856930647 8 1001.00000000000 SHELL: 24 15.5325727205866 4 1000.00000000000 SHELL: 25 15.8408453815622 8 1001.00000000000 ---------------- ATOM 3 SHELL: 1 4.52218652250828 4 1000.00000000000 SHELL: 2 5.97656266814271 4 1002.00000000000 SHELL: 3 6.56839782746149 4 1003.00000000000 SHELL: 4 7.32212500000000 4 1001.00000000000 SHELL: 5 7.41578900182641 4 1001.00000000000 SHELL: 6 7.92157657400000 1 1002.00000000000 SHELL: 7 8.29454742600000 1 1002.00000000000 SHELL: 8 8.60602611313610 8 1000.00000000000 SHELL: 9 9.83653213970380 8 1003.00000000000 SHELL: 10 10.3550484803911 4 1001.00000000000 SHELL: 11 10.7872559037677 4 1002.00000000000 SHELL: 12 11.0640422774765 4 1002.00000000000 SHELL: 13 11.2994336130447 4 1000.00000000000 SHELL: 14 11.3682817813686 4 1003.00000000000 SHELL: 15 11.9560164920214 8 1002.00000000000 SHELL: 16 12.0734685497330 4 1001.00000000000 SHELL: 17 12.2625804401460 4 1003.00000000000 SHELL: 18 12.7365990574745 8 1001.00000000000 SHELL: 19 13.0375766325263 4 1002.00000000000 SHELL: 20 13.2674996149769 4 1002.00000000000 SHELL: 21 13.4644240311731 8 1000.00000000000 SHELL: 22 13.5222537018140 8 1003.00000000000 SHELL: 23 14.0470234529218 4 1000.00000000000 SHELL: 24 14.2077134340264 4 1002.00000000000 SHELL: 25 14.2823105121922 8 1003.00000000000 SHELL: 26 14.6442500000000 4 1001.00000000000 SHELL: 27 15.3265856930647 8 1000.00000000000 SHELL: 28 15.3774139468198 4 1003.00000000000 SHELL: 29 15.8168694560187 4 1002.00000000000 SHELL: 30 15.8408453815622 8 1000.00000000000 SHELL: 31 15.9058376658584 8 1001.00000000000 ---------------- ATOM 4 SHELL: 1 4.52218652250828 4 1000.00000000000 SHELL: 2 5.97656266814271 4 1002.00000000000 SHELL: 3 6.56839782746149 4 1003.00000000000 SHELL: 4 7.32212500000000 4 1001.00000000000 SHELL: 5 7.41578900182641 4 1001.00000000000 SHELL: 6 7.92157657400000 1 1002.00000000000 SHELL: 7 8.29454742600000 1 1002.00000000000 SHELL: 8 8.60602611313610 8 1000.00000000000 SHELL: 9 9.83653213970380 8 1003.00000000000 SHELL: 10 10.3550484803911 4 1001.00000000000 SHELL: 11 10.7872559037677 4 1002.00000000000 SHELL: 12 11.0640422774765 4 1002.00000000000 SHELL: 13 11.2994336130447 4 1000.00000000000 SHELL: 14 11.3682817813686 4 1003.00000000000 SHELL: 15 11.9560164920214 8 1002.00000000000 SHELL: 16 12.0734685497330 4 1001.00000000000 SHELL: 17 12.2625804401460 4 1003.00000000000 SHELL: 18 12.7365990574745 8 1001.00000000000 SHELL: 19 13.0375766325263 4 1002.00000000000 SHELL: 20 13.2674996149769 4 1002.00000000000 SHELL: 21 13.4644240311731 8 1000.00000000000 SHELL: 22 13.5222537018140 8 1003.00000000000 SHELL: 23 14.0470234529218 4 1000.00000000000 SHELL: 24 14.2077134340264 4 1002.00000000000 SHELL: 25 14.2823105121922 8 1003.00000000000 SHELL: 26 14.6442500000000 4 1001.00000000000 SHELL: 27 15.3265856930647 8 1000.00000000000 SHELL: 28 15.3774139468198 4 1003.00000000000 SHELL: 29 15.8168694560187 4 1002.00000000000 SHELL: 30 15.8408453815622 8 1000.00000000000 SHELL: 31 15.9058376658584 8 1001.00000000000 ---------------- ATOM 5 SHELL: 1 4.41529919496932 4 1003.00000000000 SHELL: 2 5.97656266814271 4 1001.00000000000 SHELL: 3 6.72403278165350 4 1000.00000000000 SHELL: 4 7.15351037369587 4 1002.00000000000 SHELL: 5 7.32212500000000 4 1002.00000000000 SHELL: 6 7.92157657400000 1 1001.00000000000 SHELL: 7 8.29454742600000 1 1001.00000000000 SHELL: 8 8.55034394025888 8 1003.00000000000 SHELL: 9 9.94113330382285 8 1000.00000000000 SHELL: 10 10.3550484803911 4 1002.00000000000 SHELL: 11 10.7872559037677 4 1001.00000000000 SHELL: 12 11.0640422774765 4 1001.00000000000 SHELL: 13 11.1918924184041 4 1000.00000000000 SHELL: 14 11.2570820380926 4 1003.00000000000 SHELL: 15 11.9560164920214 8 1001.00000000000 SHELL: 16 12.3466451265111 4 1000.00000000000 SHELL: 17 12.4114346526577 4 1002.00000000000 SHELL: 18 12.5856958368548 8 1002.00000000000 SHELL: 19 13.0375766325263 4 1001.00000000000 SHELL: 20 13.2674996149769 4 1001.00000000000 SHELL: 21 13.3743026143704 8 1000.00000000000 SHELL: 22 13.4289020596612 8 1003.00000000000 SHELL: 23 14.2077134340264 4 1001.00000000000 SHELL: 24 14.2271467802962 4 1003.00000000000 SHELL: 25 14.3545519050797 8 1000.00000000000 SHELL: 26 14.6442500000000 4 1002.00000000000 SHELL: 27 15.2474747068615 4 1000.00000000000 SHELL: 28 15.2953890124964 8 1003.00000000000 SHELL: 29 15.8168694560187 4 1001.00000000000 ---------------- ATOM 6 SHELL: 1 4.41529919496932 4 1003.00000000000 SHELL: 2 5.97656266814271 4 1001.00000000000 SHELL: 3 6.72403278165350 4 1000.00000000000 SHELL: 4 7.15351037369587 4 1002.00000000000 SHELL: 5 7.32212500000000 4 1002.00000000000 SHELL: 6 7.92157657400000 1 1001.00000000000 SHELL: 7 8.29454742600000 1 1001.00000000000 SHELL: 8 8.55034394025888 8 1003.00000000000 SHELL: 9 9.94113330382286 8 1000.00000000000 SHELL: 10 10.3550484803911 4 1002.00000000000 SHELL: 11 10.7872559037677 4 1001.00000000000 SHELL: 12 11.0640422774765 4 1001.00000000000 SHELL: 13 11.1918924184041 4 1000.00000000000 SHELL: 14 11.2570820380926 4 1003.00000000000 SHELL: 15 11.9560164920214 8 1001.00000000000 SHELL: 16 12.3466451265111 4 1000.00000000000 SHELL: 17 12.4114346526577 4 1002.00000000000 SHELL: 18 12.5856958368548 8 1002.00000000000 SHELL: 19 13.0375766325263 4 1001.00000000000 SHELL: 20 13.2674996149769 4 1001.00000000000 SHELL: 21 13.3743026143704 8 1000.00000000000 SHELL: 22 13.4289020596612 8 1003.00000000000 SHELL: 23 14.2077134340264 4 1001.00000000000 SHELL: 24 14.2271467802962 4 1003.00000000000 SHELL: 25 14.3545519050797 8 1000.00000000000 SHELL: 26 14.6442500000000 4 1002.00000000000 SHELL: 27 15.2474747068615 4 1000.00000000000 SHELL: 28 15.2953890124964 8 1003.00000000000 SHELL: 29 15.8168694560187 4 1001.00000000000 ---------------- ATOM 7 SHELL: 1 4.41529919496932 4 1002.00000000000 SHELL: 2 5.17752424019555 4 1003.00000000000 SHELL: 3 6.56839782746149 4 1001.00000000000 SHELL: 4 7.32212500000000 4 1003.00000000000 SHELL: 5 8.10806200000000 2 1000.00000000000 SHELL: 6 8.55034394025888 8 1002.00000000000 SHELL: 7 9.62015730919492 8 1000.00000000000 SHELL: 8 9.83653213970380 8 1001.00000000000 SHELL: 9 10.3550484803911 4 1003.00000000000 SHELL: 10 10.9249340460924 8 1000.00000000000 SHELL: 11 11.2570820380926 4 1002.00000000000 SHELL: 12 11.3682817813686 4 1001.00000000000 SHELL: 13 11.5772961562302 8 1003.00000000000 SHELL: 14 12.2625804401460 4 1001.00000000000 SHELL: 15 13.1517184590872 8 1000.00000000000 SHELL: 16 13.4289020596612 8 1002.00000000000 SHELL: 17 13.5222537018140 8 1001.00000000000 SHELL: 18 14.1341591785612 16 1000.00000000000 SHELL: 19 14.2271467802962 4 1002.00000000000 SHELL: 20 14.2823105121922 8 1001.00000000000 SHELL: 21 14.6442500000000 4 1003.00000000000 SHELL: 22 15.2953890124964 8 1002.00000000000 SHELL: 23 15.3774139468198 4 1001.00000000000 SHELL: 24 15.5325727205866 4 1003.00000000000 ---------------- ATOM 8 SHELL: 1 4.41529919496932 4 1002.00000000000 SHELL: 2 5.17752424019555 4 1003.00000000000 SHELL: 3 6.56839782746149 4 1001.00000000000 SHELL: 4 7.32212500000000 4 1003.00000000000 SHELL: 5 8.10806200000000 2 1000.00000000000 SHELL: 6 8.55034394025888 8 1002.00000000000 SHELL: 7 9.62015730919492 8 1000.00000000000 SHELL: 8 9.83653213970380 8 1001.00000000000 SHELL: 9 10.3550484803911 4 1003.00000000000 SHELL: 10 10.9249340460924 8 1000.00000000000 SHELL: 11 11.2570820380926 4 1002.00000000000 SHELL: 12 11.3682817813686 4 1001.00000000000 SHELL: 13 11.5772961562302 8 1003.00000000000 SHELL: 14 12.2625804401460 4 1001.00000000000 SHELL: 15 13.1517184590872 8 1000.00000000000 SHELL: 16 13.4289020596612 8 1002.00000000000 SHELL: 17 13.5222537018140 8 1001.00000000000 SHELL: 18 14.1341591785612 16 1000.00000000000 SHELL: 19 14.2271467802962 4 1002.00000000000 SHELL: 20 14.2823105121922 8 1001.00000000000 SHELL: 21 14.6442500000000 4 1003.00000000000 SHELL: 22 15.2953890124964 8 1002.00000000000 SHELL: 23 15.3774139468198 4 1001.00000000000 SHELL: 24 15.5325727205866 4 1003.00000000000