TITLE calcite CaCO3 CELL 6.4437296600 13.0038700500 1.0000000000 90.000000 90.000000 101.012062 COORD 8 -0.2589638918 -0.2271852485 3.5004368084 8 -0.3714432684 0.1849574665 3.1054797025 8 -0.2280734102 0.3529494162 2.7105225965 20 -0.3405527868 -0.4849078689 2.3155654906 20 -0.3405527868 0.0150921311 2.3155654906 6 -0.3405527868 0.2650921311 2.3155654906 6 -0.3405527868 -0.2349078689 2.3155654906 8 0.3014046327 0.4294199974 1.9567264814 8 -0.4530321634 -0.3227651539 1.9206083846 8 0.1889252561 -0.1584372876 1.5617693754 8 -0.3096623052 -0.1547732042 1.5256512787 8 0.3322951143 0.0095546621 1.1668122695 8 -0.4221416818 0.2573695107 1.1306941727 20 0.2198157377 0.1716973770 0.7718551635 20 0.2198157377 -0.3283026230 0.7718551635 6 0.2198157377 -0.0783026230 0.7718551635 6 0.2198157377 0.4216973770 0.7718551635 8 -0.1382268428 0.0860252434 0.4130161543 8 0.1073363611 0.3338400920 0.3768980576 8 -0.2507062194 0.4981679583 0.0180590484 8 0.2507062194 -0.4981679583 -0.0180590484 8 -0.1073363611 -0.3338400920 -0.3768980576 8 0.1382268428 -0.0860252434 -0.4130161543 20 -0.2198157377 -0.1716973770 -0.7718551635 20 -0.2198157377 0.3283026230 -0.7718551635 6 -0.2198157377 -0.4216973770 -0.7718551635 6 -0.2198157377 0.0783026230 -0.7718551635 8 0.4221416818 -0.2573695107 -1.1306941727 8 -0.3322951143 -0.0095546621 -1.1668122695 8 0.3096623052 0.1547732042 -1.5256512787 8 -0.1889252561 0.1584372876 -1.5617693754 8 0.4530321634 0.3227651539 -1.9206083846 8 -0.3014046327 -0.4294199974 -1.9567264814 20 0.3405527868 0.4849078689 -2.3155654906 20 0.3405527868 -0.0150921311 -2.3155654906 6 0.3405527868 0.2349078689 -2.3155654906 6 0.3405527868 -0.2650921311 -2.3155654906 8 0.2280734102 -0.3529494162 -2.7105225965 8 0.3714432684 -0.1849574665 -3.1054797025 8 0.2589638918 0.2271852485 -3.5004368084 -1 0 0 0 GROUP P1 BARICE 1.27031077046649E-16 -5.24026211580857E-17 -3.19771245366854E-18 CONNB 32 1 7 2 6 3 6 6 13 7 9 7 11 8 17 10 16 12 16 16 23 17 19 18 27 22 26 26 33 27 29 27 31 28 37 30 36 32 36 36 40 37 38 37 39 4 4 5 5 14 14 15 15 20 20 21 21 24 24 25 25 34 34 35 35 BONDS 1 1 1 1 1 3 3 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 3 3 1 1 1 FRAG 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1