---------------- ATOM 1 SHELL: 1 4.47811074976206 4 1001.00000000000 SHELL: 2 5.17391587429115 4 1000.00000000000 SHELL: 3 6.64035385310881 4 1002.00000000000 SHELL: 4 7.31702200000000 4 1000.00000000000 SHELL: 5 8.57859468885310 8 1001.00000000000 SHELL: 6 9.25468390241880 4 1001.00000000000 SHELL: 7 9.88094682927608 8 1002.00000000000 SHELL: 8 10.3478317485823 4 1000.00000000000 SHELL: 9 11.0832480000000 2 1000.00000000000 SHELL: 10 11.2752426929136 4 1001.00000000000 SHELL: 11 11.5692276047803 8 1000.00000000000 SHELL: 12 11.7977957721845 8 1001.00000000000 SHELL: 13 12.2314263969394 8 1000.00000000000 SHELL: 14 12.2951991115014 4 1002.00000000000 SHELL: 15 13.2807077062176 8 1000.00000000000 SHELL: 16 13.4413507034296 8 1001.00000000000 SHELL: 17 13.8826076812196 4 1001.00000000000 SHELL: 18 14.1468918883120 4 1001.00000000000 SHELL: 19 14.3077158253842 8 1002.00000000000 SHELL: 20 14.6340440000000 4 1000.00000000000 SHELL: 21 15.1629815051814 8 1000.00000000000 SHELL: 22 15.3038792363593 8 1001.00000000000 SHELL: 23 15.5217476228735 4 1000.00000000000 SHELL: 24 15.6928520983007 8 1001.00000000000 SHELL: 25 15.9271265785160 8 1001.00000000000 ---------------- ATOM 2 SHELL: 1 4.47811074976206 4 1001.00000000000 SHELL: 2 5.17391587429115 4 1000.00000000000 SHELL: 3 6.64035385310881 4 1002.00000000000 SHELL: 4 7.31702200000000 4 1000.00000000000 SHELL: 5 8.57859468885310 8 1001.00000000000 SHELL: 6 9.25468390241880 4 1001.00000000000 SHELL: 7 9.88094682927608 8 1002.00000000000 SHELL: 8 10.3478317485823 4 1000.00000000000 SHELL: 9 11.0832480000000 2 1000.00000000000 SHELL: 10 11.2752426929136 4 1001.00000000000 SHELL: 11 11.5692276047803 8 1000.00000000000 SHELL: 12 11.7977957721845 8 1001.00000000000 SHELL: 13 12.2314263969394 8 1000.00000000000 SHELL: 14 12.2951991115014 4 1002.00000000000 SHELL: 15 13.2807077062176 8 1000.00000000000 SHELL: 16 13.4413507034296 8 1001.00000000000 SHELL: 17 13.8826076812196 4 1001.00000000000 SHELL: 18 14.1468918883120 4 1001.00000000000 SHELL: 19 14.3077158253842 8 1002.00000000000 SHELL: 20 14.6340440000000 4 1000.00000000000 SHELL: 21 15.1629815051814 8 1000.00000000000 SHELL: 22 15.3038792363593 8 1001.00000000000 SHELL: 23 15.5217476228735 4 1000.00000000000 SHELL: 24 15.6928520983007 8 1001.00000000000 SHELL: 25 15.9271265785160 8 1001.00000000000 ---------------- ATOM 3 SHELL: 1 4.47811074976206 4 1000.00000000000 SHELL: 2 5.91845443200000 1 1001.00000000000 SHELL: 3 5.96040528740765 4 1002.00000000000 SHELL: 4 7.31057440111898 4 1001.00000000000 SHELL: 5 7.31702200000000 4 1001.00000000000 SHELL: 6 8.12402078400000 1 1002.00000000000 SHELL: 7 8.57859468885310 8 1000.00000000000 SHELL: 8 9.25468390241880 4 1000.00000000000 SHELL: 9 9.41099961811414 4 1001.00000000000 SHELL: 10 10.3478317485823 4 1001.00000000000 SHELL: 11 10.9333674889006 4 1002.00000000000 SHELL: 12 11.2752426929136 4 1000.00000000000 SHELL: 13 11.7977957721845 8 1000.00000000000 SHELL: 14 11.9208105748153 4 1001.00000000000 SHELL: 15 11.9416938952196 8 1002.00000000000 SHELL: 16 12.2314263969394 8 1001.00000000000 SHELL: 17 12.6697324348727 8 1001.00000000000 SHELL: 18 13.1558859677268 4 1002.00000000000 SHELL: 19 13.4413507034296 8 1000.00000000000 SHELL: 20 13.8826076812196 4 1000.00000000000 SHELL: 21 14.0424752160000 1 1002.00000000000 SHELL: 22 14.1468918883120 4 1000.00000000000 SHELL: 23 14.6340440000000 4 1001.00000000000 SHELL: 24 15.3038792363593 8 1000.00000000000 SHELL: 25 15.6928520983007 8 1000.00000000000 SHELL: 26 15.7855423301702 4 1001.00000000000 SHELL: 27 15.8013187735737 4 1002.00000000000 SHELL: 28 15.8344536104173 4 1002.00000000000 SHELL: 29 15.9271265785160 8 1000.00000000000 ---------------- ATOM 4 SHELL: 1 4.47811074976206 4 1000.00000000000 SHELL: 2 5.91845443200000 1 1001.00000000000 SHELL: 3 5.96040528740765 4 1002.00000000000 SHELL: 4 7.31057440111898 4 1001.00000000000 SHELL: 5 7.31702200000000 4 1001.00000000000 SHELL: 6 8.12402078400000 1 1002.00000000000 SHELL: 7 8.57859468885310 8 1000.00000000000 SHELL: 8 9.25468390241880 4 1000.00000000000 SHELL: 9 9.41099961811414 4 1001.00000000000 SHELL: 10 10.3478317485823 4 1001.00000000000 SHELL: 11 10.9333674889006 4 1002.00000000000 SHELL: 12 11.2752426929136 4 1000.00000000000 SHELL: 13 11.7977957721845 8 1000.00000000000 SHELL: 14 11.9208105748153 4 1001.00000000000 SHELL: 15 11.9416938952196 8 1002.00000000000 SHELL: 16 12.2314263969394 8 1001.00000000000 SHELL: 17 12.6697324348727 8 1001.00000000000 SHELL: 18 13.1558859677268 4 1002.00000000000 SHELL: 19 13.4413507034296 8 1000.00000000000 SHELL: 20 13.8826076812196 4 1000.00000000000 SHELL: 21 14.0424752160000 1 1002.00000000000 SHELL: 22 14.1468918883120 4 1000.00000000000 SHELL: 23 14.6340440000000 4 1001.00000000000 SHELL: 24 15.3038792363593 8 1000.00000000000 SHELL: 25 15.6928520983007 8 1000.00000000000 SHELL: 26 15.7855423301702 4 1001.00000000000 SHELL: 27 15.8013187735737 4 1002.00000000000 SHELL: 28 15.8344536104173 4 1002.00000000000 SHELL: 29 15.9271265785160 8 1000.00000000000 ---------------- ATOM 5 SHELL: 1 5.96040528740765 8 1001.00000000000 SHELL: 2 6.64035385310881 8 1000.00000000000 SHELL: 3 7.31702200000000 4 1002.00000000000 SHELL: 4 8.12402078400000 2 1001.00000000000 SHELL: 5 9.88094682927608 16 1000.00000000000 SHELL: 6 10.3478317485823 4 1002.00000000000 SHELL: 7 10.9333674889006 8 1001.00000000000 SHELL: 8 11.9416938952196 16 1001.00000000000 SHELL: 9 12.2314263969394 8 1002.00000000000 SHELL: 10 12.2951991115014 8 1000.00000000000 SHELL: 11 13.1558859677268 8 1001.00000000000 SHELL: 12 14.0424752160000 2 1001.00000000000 SHELL: 13 14.3077158253842 16 1000.00000000000 SHELL: 14 14.6340440000000 4 1002.00000000000 SHELL: 15 15.8013187735737 8 1001.00000000000 SHELL: 16 15.8344536104173 8 1001.00000000000