!!index array str "a" !entry.a.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "H1" "HC" 0 1 131072 1 1 0.017300 "C1" "CT" 0 1 131072 2 6 -0.041100 "H2" "HC" 0 1 131072 3 1 0.017300 "H3" "HC" 0 1 131072 4 1 0.017300 "C" "C" 0 1 131072 5 6 0.586900 "O" "O" 0 1 131072 6 8 -0.591100 "N" "N" 0 1 131072 7 7 -0.419200 "HN" "H" 0 1 131072 8 1 0.282300 "C2" "CT" 0 1 131072 9 6 -0.207800 "H4" "H1" 0 1 131072 10 1 0.112700 "H5" "H1" 0 1 131072 11 1 0.112700 "H6" "H1" 0 1 131072 12 1 0.112700 "H1" "HC" 0 2 131072 1 1 0.017300 "C1" "CT" 0 2 131072 2 6 -0.041100 "H2" "HC" 0 2 131072 3 1 0.017300 "H3" "HC" 0 2 131072 4 1 0.017300 "C" "C" 0 2 131072 5 6 0.586900 "O" "O" 0 2 131072 6 8 -0.591100 "N" "N" 0 2 131072 7 7 -0.419200 "HN" "H" 0 2 131072 8 1 0.282300 "C2" "CT" 0 2 131072 9 6 -0.207800 "H4" "H1" 0 2 131072 10 1 0.112700 "H5" "H1" 0 2 131072 11 1 0.112700 "H6" "H1" 0 2 131072 12 1 0.112700 "H1" "HC" 0 3 131072 1 1 0.017300 "C1" "CT" 0 3 131072 2 6 -0.041100 "H2" "HC" 0 3 131072 3 1 0.017300 "H3" "HC" 0 3 131072 4 1 0.017300 "C" "C" 0 3 131072 5 6 0.586900 "O" "O" 0 3 131072 6 8 -0.591100 "N" "N" 0 3 131072 7 7 -0.419200 "HN" "H" 0 3 131072 8 1 0.282300 "C2" "CT" 0 3 131072 9 6 -0.207800 "H4" "H1" 0 3 131072 10 1 0.112700 "H5" "H1" 0 3 131072 11 1 0.112700 "H6" "H1" 0 3 131072 12 1 0.112700 "H1" "HC" 0 4 131072 1 1 0.017300 "C1" "CT" 0 4 131072 2 6 -0.041100 "H2" "HC" 0 4 131072 3 1 0.017300 "H3" "HC" 0 4 131072 4 1 0.017300 "C" "C" 0 4 131072 5 6 0.586900 "O" "O" 0 4 131072 6 8 -0.591100 "N" "N" 0 4 131072 7 7 -0.419200 "HN" "H" 0 4 131072 8 1 0.282300 "C2" "CT" 0 4 131072 9 6 -0.207800 "H4" "H1" 0 4 131072 10 1 0.112700 "H5" "H1" 0 4 131072 11 1 0.112700 "H6" "H1" 0 4 131072 12 1 0.112700 "H1" "HC" 0 5 131072 1 1 0.017300 "C1" "CT" 0 5 131072 2 6 -0.041100 "H2" "HC" 0 5 131072 3 1 0.017300 "H3" "HC" 0 5 131072 4 1 0.017300 "C" "C" 0 5 131072 5 6 0.586900 "O" "O" 0 5 131072 6 8 -0.591100 "N" "N" 0 5 131072 7 7 -0.419200 "HN" "H" 0 5 131072 8 1 0.282300 "C2" "CT" 0 5 131072 9 6 -0.207800 "H4" "H1" 0 5 131072 10 1 0.112700 "H5" "H1" 0 5 131072 11 1 0.112700 "H6" "H1" 0 5 131072 12 1 0.112700 "H1" "HC" 0 6 131072 1 1 0.017300 "C1" "CT" 0 6 131072 2 6 -0.041100 "H2" "HC" 0 6 131072 3 1 0.017300 "H3" "HC" 0 6 131072 4 1 0.017300 "C" "C" 0 6 131072 5 6 0.586900 "O" "O" 0 6 131072 6 8 -0.591100 "N" "N" 0 6 131072 7 7 -0.419200 "HN" "H" 0 6 131072 8 1 0.282300 "C2" "CT" 0 6 131072 9 6 -0.207800 "H4" "H1" 0 6 131072 10 1 0.112700 "H5" "H1" 0 6 131072 11 1 0.112700 "H6" "H1" 0 6 131072 12 1 0.112700 "H1" "HC" 0 7 131072 1 1 0.017300 "C1" "CT" 0 7 131072 2 6 -0.041100 "H2" "HC" 0 7 131072 3 1 0.017300 "H3" "HC" 0 7 131072 4 1 0.017300 "C" "C" 0 7 131072 5 6 0.586900 "O" "O" 0 7 131072 6 8 -0.591100 "N" "N" 0 7 131072 7 7 -0.419200 "HN" "H" 0 7 131072 8 1 0.282300 "C2" "CT" 0 7 131072 9 6 -0.207800 "H4" "H1" 0 7 131072 10 1 0.112700 "H5" "H1" 0 7 131072 11 1 0.112700 "H6" "H1" 0 7 131072 12 1 0.112700 "H1" "HC" 0 8 131072 1 1 0.017300 "C1" "CT" 0 8 131072 2 6 -0.041100 "H2" "HC" 0 8 131072 3 1 0.017300 "H3" "HC" 0 8 131072 4 1 0.017300 "C" "C" 0 8 131072 5 6 0.586900 "O" "O" 0 8 131072 6 8 -0.591100 "N" "N" 0 8 131072 7 7 -0.419200 "HN" "H" 0 8 131072 8 1 0.282300 "C2" "CT" 0 8 131072 9 6 -0.207800 "H4" "H1" 0 8 131072 10 1 0.112700 "H5" "H1" 0 8 131072 11 1 0.112700 "H6" "H1" 0 8 131072 12 1 0.112700 "H1" "HC" 0 9 131072 1 1 0.017300 "C1" "CT" 0 9 131072 2 6 -0.041100 "H2" "HC" 0 9 131072 3 1 0.017300 "H3" "HC" 0 9 131072 4 1 0.017300 "C" "C" 0 9 131072 5 6 0.586900 "O" "O" 0 9 131072 6 8 -0.591100 "N" "N" 0 9 131072 7 7 -0.419200 "HN" "H" 0 9 131072 8 1 0.282300 "C2" "CT" 0 9 131072 9 6 -0.207800 "H4" "H1" 0 9 131072 10 1 0.112700 "H5" "H1" 0 9 131072 11 1 0.112700 "H6" "H1" 0 9 131072 12 1 0.112700 "H1" "HC" 0 10 131072 1 1 0.017300 "C1" "CT" 0 10 131072 2 6 -0.041100 "H2" "HC" 0 10 131072 3 1 0.017300 "H3" "HC" 0 10 131072 4 1 0.017300 "C" "C" 0 10 131072 5 6 0.586900 "O" "O" 0 10 131072 6 8 -0.591100 "N" "N" 0 10 131072 7 7 -0.419200 "HN" "H" 0 10 131072 8 1 0.282300 "C2" "CT" 0 10 131072 9 6 -0.207800 "H4" "H1" 0 10 131072 10 1 0.112700 "H5" "H1" 0 10 131072 11 1 0.112700 "H6" "H1" 0 10 131072 12 1 0.112700 "H1" "HC" 0 11 131072 1 1 0.017300 "C1" "CT" 0 11 131072 2 6 -0.041100 "H2" "HC" 0 11 131072 3 1 0.017300 "H3" "HC" 0 11 131072 4 1 0.017300 "C" "C" 0 11 131072 5 6 0.586900 "O" "O" 0 11 131072 6 8 -0.591100 "N" "N" 0 11 131072 7 7 -0.419200 "HN" "H" 0 11 131072 8 1 0.282300 "C2" "CT" 0 11 131072 9 6 -0.207800 "H4" "H1" 0 11 131072 10 1 0.112700 "H5" "H1" 0 11 131072 11 1 0.112700 "H6" "H1" 0 11 131072 12 1 0.112700 "H1" "HC" 0 12 131072 1 1 0.017300 "C1" "CT" 0 12 131072 2 6 -0.041100 "H2" "HC" 0 12 131072 3 1 0.017300 "H3" "HC" 0 12 131072 4 1 0.017300 "C" "C" 0 12 131072 5 6 0.586900 "O" "O" 0 12 131072 6 8 -0.591100 "N" "N" 0 12 131072 7 7 -0.419200 "HN" "H" 0 12 131072 8 1 0.282300 "C2" "CT" 0 12 131072 9 6 -0.207800 "H4" "H1" 0 12 131072 10 1 0.112700 "H5" "H1" 0 12 131072 11 1 0.112700 "H6" "H1" 0 12 131072 12 1 0.112700 "H1" "HC" 0 13 131072 1 1 0.017300 "C1" "CT" 0 13 131072 2 6 -0.041100 "H2" "HC" 0 13 131072 3 1 0.017300 "H3" "HC" 0 13 131072 4 1 0.017300 "C" "C" 0 13 131072 5 6 0.586900 "O" "O" 0 13 131072 6 8 -0.591100 "N" "N" 0 13 131072 7 7 -0.419200 "HN" "H" 0 13 131072 8 1 0.282300 "C2" "CT" 0 13 131072 9 6 -0.207800 "H4" "H1" 0 13 131072 10 1 0.112700 "H5" "H1" 0 13 131072 11 1 0.112700 "H6" "H1" 0 13 131072 12 1 0.112700 "H1" "HC" 0 14 131072 1 1 0.017300 "C1" "CT" 0 14 131072 2 6 -0.041100 "H2" "HC" 0 14 131072 3 1 0.017300 "H3" "HC" 0 14 131072 4 1 0.017300 "C" "C" 0 14 131072 5 6 0.586900 "O" "O" 0 14 131072 6 8 -0.591100 "N" "N" 0 14 131072 7 7 -0.419200 "HN" "H" 0 14 131072 8 1 0.282300 "C2" "CT" 0 14 131072 9 6 -0.207800 "H4" "H1" 0 14 131072 10 1 0.112700 "H5" "H1" 0 14 131072 11 1 0.112700 "H6" "H1" 0 14 131072 12 1 0.112700 "H1" "HC" 0 15 131072 1 1 0.017300 "C1" "CT" 0 15 131072 2 6 -0.041100 "H2" "HC" 0 15 131072 3 1 0.017300 "H3" "HC" 0 15 131072 4 1 0.017300 "C" "C" 0 15 131072 5 6 0.586900 "O" "O" 0 15 131072 6 8 -0.591100 "N" "N" 0 15 131072 7 7 -0.419200 "HN" "H" 0 15 131072 8 1 0.282300 "C2" "CT" 0 15 131072 9 6 -0.207800 "H4" "H1" 0 15 131072 10 1 0.112700 "H5" "H1" 0 15 131072 11 1 0.112700 "H6" "H1" 0 15 131072 12 1 0.112700 "H1" "HC" 0 16 131072 1 1 0.017300 "C1" "CT" 0 16 131072 2 6 -0.041100 "H2" "HC" 0 16 131072 3 1 0.017300 "H3" "HC" 0 16 131072 4 1 0.017300 "C" "C" 0 16 131072 5 6 0.586900 "O" "O" 0 16 131072 6 8 -0.591100 "N" "N" 0 16 131072 7 7 -0.419200 "HN" "H" 0 16 131072 8 1 0.282300 "C2" "CT" 0 16 131072 9 6 -0.207800 "H4" "H1" 0 16 131072 10 1 0.112700 "H5" "H1" 0 16 131072 11 1 0.112700 "H6" "H1" 0 16 131072 12 1 0.112700 "H1" "HC" 0 17 131072 1 1 0.017300 "C1" "CT" 0 17 131072 2 6 -0.041100 "H2" "HC" 0 17 131072 3 1 0.017300 "H3" "HC" 0 17 131072 4 1 0.017300 "C" "C" 0 17 131072 5 6 0.586900 "O" "O" 0 17 131072 6 8 -0.591100 "N" "N" 0 17 131072 7 7 -0.419200 "HN" "H" 0 17 131072 8 1 0.282300 "C2" "CT" 0 17 131072 9 6 -0.207800 "H4" "H1" 0 17 131072 10 1 0.112700 "H5" "H1" 0 17 131072 11 1 0.112700 "H6" "H1" 0 17 131072 12 1 0.112700 "H1" "HC" 0 18 131072 1 1 0.017300 "C1" "CT" 0 18 131072 2 6 -0.041100 "H2" "HC" 0 18 131072 3 1 0.017300 "H3" "HC" 0 18 131072 4 1 0.017300 "C" "C" 0 18 131072 5 6 0.586900 "O" "O" 0 18 131072 6 8 -0.591100 "N" "N" 0 18 131072 7 7 -0.419200 "HN" "H" 0 18 131072 8 1 0.282300 "C2" "CT" 0 18 131072 9 6 -0.207800 "H4" "H1" 0 18 131072 10 1 0.112700 "H5" "H1" 0 18 131072 11 1 0.112700 "H6" "H1" 0 18 131072 12 1 0.112700 "H1" "HC" 0 19 131072 1 1 0.017300 "C1" "CT" 0 19 131072 2 6 -0.041100 "H2" "HC" 0 19 131072 3 1 0.017300 "H3" "HC" 0 19 131072 4 1 0.017300 "C" "C" 0 19 131072 5 6 0.586900 "O" "O" 0 19 131072 6 8 -0.591100 "N" "N" 0 19 131072 7 7 -0.419200 "HN" "H" 0 19 131072 8 1 0.282300 "C2" "CT" 0 19 131072 9 6 -0.207800 "H4" "H1" 0 19 131072 10 1 0.112700 "H5" "H1" 0 19 131072 11 1 0.112700 "H6" "H1" 0 19 131072 12 1 0.112700 "H1" "HC" 0 20 131072 1 1 0.017300 "C1" "CT" 0 20 131072 2 6 -0.041100 "H2" "HC" 0 20 131072 3 1 0.017300 "H3" "HC" 0 20 131072 4 1 0.017300 "C" "C" 0 20 131072 5 6 0.586900 "O" "O" 0 20 131072 6 8 -0.591100 "N" "N" 0 20 131072 7 7 -0.419200 "HN" "H" 0 20 131072 8 1 0.282300 "C2" "CT" 0 20 131072 9 6 -0.207800 "H4" "H1" 0 20 131072 10 1 0.112700 "H5" "H1" 0 20 131072 11 1 0.112700 "H6" "H1" 0 20 131072 12 1 0.112700 "H1" "HC" 0 21 131072 1 1 0.017300 "C1" "CT" 0 21 131072 2 6 -0.041100 "H2" "HC" 0 21 131072 3 1 0.017300 "H3" "HC" 0 21 131072 4 1 0.017300 "C" "C" 0 21 131072 5 6 0.586900 "O" "O" 0 21 131072 6 8 -0.591100 "N" "N" 0 21 131072 7 7 -0.419200 "HN" "H" 0 21 131072 8 1 0.282300 "C2" "CT" 0 21 131072 9 6 -0.207800 "H4" "H1" 0 21 131072 10 1 0.112700 "H5" "H1" 0 21 131072 11 1 0.112700 "H6" "H1" 0 21 131072 12 1 0.112700 "H1" "HC" 0 22 131072 1 1 0.017300 "C1" "CT" 0 22 131072 2 6 -0.041100 "H2" "HC" 0 22 131072 3 1 0.017300 "H3" "HC" 0 22 131072 4 1 0.017300 "C" "C" 0 22 131072 5 6 0.586900 "O" "O" 0 22 131072 6 8 -0.591100 "N" "N" 0 22 131072 7 7 -0.419200 "HN" "H" 0 22 131072 8 1 0.282300 "C2" "CT" 0 22 131072 9 6 -0.207800 "H4" "H1" 0 22 131072 10 1 0.112700 "H5" "H1" 0 22 131072 11 1 0.112700 "H6" "H1" 0 22 131072 12 1 0.112700 "H1" "HC" 0 23 131072 1 1 0.017300 "C1" "CT" 0 23 131072 2 6 -0.041100 "H2" "HC" 0 23 131072 3 1 0.017300 "H3" "HC" 0 23 131072 4 1 0.017300 "C" "C" 0 23 131072 5 6 0.586900 "O" "O" 0 23 131072 6 8 -0.591100 "N" "N" 0 23 131072 7 7 -0.419200 "HN" "H" 0 23 131072 8 1 0.282300 "C2" "CT" 0 23 131072 9 6 -0.207800 "H4" "H1" 0 23 131072 10 1 0.112700 "H5" "H1" 0 23 131072 11 1 0.112700 "H6" "H1" 0 23 131072 12 1 0.112700 "H1" "HC" 0 24 131072 1 1 0.017300 "C1" "CT" 0 24 131072 2 6 -0.041100 "H2" "HC" 0 24 131072 3 1 0.017300 "H3" "HC" 0 24 131072 4 1 0.017300 "C" "C" 0 24 131072 5 6 0.586900 "O" "O" 0 24 131072 6 8 -0.591100 "N" "N" 0 24 131072 7 7 -0.419200 "HN" "H" 0 24 131072 8 1 0.282300 "C2" "CT" 0 24 131072 9 6 -0.207800 "H4" "H1" 0 24 131072 10 1 0.112700 "H5" "H1" 0 24 131072 11 1 0.112700 "H6" "H1" 0 24 131072 12 1 0.112700 "H1" "HC" 0 25 131072 1 1 0.017300 "C1" "CT" 0 25 131072 2 6 -0.041100 "H2" "HC" 0 25 131072 3 1 0.017300 "H3" "HC" 0 25 131072 4 1 0.017300 "C" "C" 0 25 131072 5 6 0.586900 "O" "O" 0 25 131072 6 8 -0.591100 "N" "N" 0 25 131072 7 7 -0.419200 "HN" "H" 0 25 131072 8 1 0.282300 "C2" "CT" 0 25 131072 9 6 -0.207800 "H4" "H1" 0 25 131072 10 1 0.112700 "H5" "H1" 0 25 131072 11 1 0.112700 "H6" "H1" 0 25 131072 12 1 0.112700 "H1" "HC" 0 26 131072 1 1 0.017300 "C1" "CT" 0 26 131072 2 6 -0.041100 "H2" "HC" 0 26 131072 3 1 0.017300 "H3" "HC" 0 26 131072 4 1 0.017300 "C" "C" 0 26 131072 5 6 0.586900 "O" "O" 0 26 131072 6 8 -0.591100 "N" "N" 0 26 131072 7 7 -0.419200 "HN" "H" 0 26 131072 8 1 0.282300 "C2" "CT" 0 26 131072 9 6 -0.207800 "H4" "H1" 0 26 131072 10 1 0.112700 "H5" "H1" 0 26 131072 11 1 0.112700 "H6" "H1" 0 26 131072 12 1 0.112700 "H1" "HC" 0 27 131072 1 1 0.017300 "C1" "CT" 0 27 131072 2 6 -0.041100 "H2" "HC" 0 27 131072 3 1 0.017300 "H3" "HC" 0 27 131072 4 1 0.017300 "C" "C" 0 27 131072 5 6 0.586900 "O" "O" 0 27 131072 6 8 -0.591100 "N" "N" 0 27 131072 7 7 -0.419200 "HN" "H" 0 27 131072 8 1 0.282300 "C2" "CT" 0 27 131072 9 6 -0.207800 "H4" "H1" 0 27 131072 10 1 0.112700 "H5" "H1" 0 27 131072 11 1 0.112700 "H6" "H1" 0 27 131072 12 1 0.112700 "H1" "HC" 0 28 131072 1 1 0.017300 "C1" "CT" 0 28 131072 2 6 -0.041100 "H2" "HC" 0 28 131072 3 1 0.017300 "H3" "HC" 0 28 131072 4 1 0.017300 "C" "C" 0 28 131072 5 6 0.586900 "O" "O" 0 28 131072 6 8 -0.591100 "N" "N" 0 28 131072 7 7 -0.419200 "HN" "H" 0 28 131072 8 1 0.282300 "C2" "CT" 0 28 131072 9 6 -0.207800 "H4" "H1" 0 28 131072 10 1 0.112700 "H5" "H1" 0 28 131072 11 1 0.112700 "H6" "H1" 0 28 131072 12 1 0.112700 "H1" "HC" 0 29 131072 1 1 0.017300 "C1" "CT" 0 29 131072 2 6 -0.041100 "H2" "HC" 0 29 131072 3 1 0.017300 "H3" "HC" 0 29 131072 4 1 0.017300 "C" "C" 0 29 131072 5 6 0.586900 "O" "O" 0 29 131072 6 8 -0.591100 "N" "N" 0 29 131072 7 7 -0.419200 "HN" "H" 0 29 131072 8 1 0.282300 "C2" "CT" 0 29 131072 9 6 -0.207800 "H4" "H1" 0 29 131072 10 1 0.112700 "H5" "H1" 0 29 131072 11 1 0.112700 "H6" "H1" 0 29 131072 12 1 0.112700 "H1" "HC" 0 30 131072 1 1 0.017300 "C1" "CT" 0 30 131072 2 6 -0.041100 "H2" "HC" 0 30 131072 3 1 0.017300 "H3" "HC" 0 30 131072 4 1 0.017300 "C" "C" 0 30 131072 5 6 0.586900 "O" "O" 0 30 131072 6 8 -0.591100 "N" "N" 0 30 131072 7 7 -0.419200 "HN" "H" 0 30 131072 8 1 0.282300 "C2" "CT" 0 30 131072 9 6 -0.207800 "H4" "H1" 0 30 131072 10 1 0.112700 "H5" "H1" 0 30 131072 11 1 0.112700 "H6" "H1" 0 30 131072 12 1 0.112700 "H1" "HC" 0 31 131072 1 1 0.017300 "C1" "CT" 0 31 131072 2 6 -0.041100 "H2" "HC" 0 31 131072 3 1 0.017300 "H3" "HC" 0 31 131072 4 1 0.017300 "C" "C" 0 31 131072 5 6 0.586900 "O" "O" 0 31 131072 6 8 -0.591100 "N" "N" 0 31 131072 7 7 -0.419200 "HN" "H" 0 31 131072 8 1 0.282300 "C2" "CT" 0 31 131072 9 6 -0.207800 "H4" "H1" 0 31 131072 10 1 0.112700 "H5" "H1" 0 31 131072 11 1 0.112700 "H6" "H1" 0 31 131072 12 1 0.112700 "H1" "HC" 0 32 131072 1 1 0.017300 "C1" "CT" 0 32 131072 2 6 -0.041100 "H2" "HC" 0 32 131072 3 1 0.017300 "H3" "HC" 0 32 131072 4 1 0.017300 "C" "C" 0 32 131072 5 6 0.586900 "O" "O" 0 32 131072 6 8 -0.591100 "N" "N" 0 32 131072 7 7 -0.419200 "HN" "H" 0 32 131072 8 1 0.282300 "C2" "CT" 0 32 131072 9 6 -0.207800 "H4" "H1" 0 32 131072 10 1 0.112700 "H5" "H1" 0 32 131072 11 1 0.112700 "H6" "H1" 0 32 131072 12 1 0.112700 "H1" "HC" 0 33 131072 1 1 0.017300 "C1" "CT" 0 33 131072 2 6 -0.041100 "H2" "HC" 0 33 131072 3 1 0.017300 "H3" "HC" 0 33 131072 4 1 0.017300 "C" "C" 0 33 131072 5 6 0.586900 "O" "O" 0 33 131072 6 8 -0.591100 "N" "N" 0 33 131072 7 7 -0.419200 "HN" "H" 0 33 131072 8 1 0.282300 "C2" "CT" 0 33 131072 9 6 -0.207800 "H4" "H1" 0 33 131072 10 1 0.112700 "H5" "H1" 0 33 131072 11 1 0.112700 "H6" "H1" 0 33 131072 12 1 0.112700 "H1" "HC" 0 34 131072 1 1 0.017300 "C1" "CT" 0 34 131072 2 6 -0.041100 "H2" "HC" 0 34 131072 3 1 0.017300 "H3" "HC" 0 34 131072 4 1 0.017300 "C" "C" 0 34 131072 5 6 0.586900 "O" "O" 0 34 131072 6 8 -0.591100 "N" "N" 0 34 131072 7 7 -0.419200 "HN" "H" 0 34 131072 8 1 0.282300 "C2" "CT" 0 34 131072 9 6 -0.207800 "H4" "H1" 0 34 131072 10 1 0.112700 "H5" "H1" 0 34 131072 11 1 0.112700 "H6" "H1" 0 34 131072 12 1 0.112700 "H1" "HC" 0 35 131072 1 1 0.017300 "C1" "CT" 0 35 131072 2 6 -0.041100 "H2" "HC" 0 35 131072 3 1 0.017300 "H3" "HC" 0 35 131072 4 1 0.017300 "C" "C" 0 35 131072 5 6 0.586900 "O" "O" 0 35 131072 6 8 -0.591100 "N" "N" 0 35 131072 7 7 -0.419200 "HN" "H" 0 35 131072 8 1 0.282300 "C2" "CT" 0 35 131072 9 6 -0.207800 "H4" "H1" 0 35 131072 10 1 0.112700 "H5" "H1" 0 35 131072 11 1 0.112700 "H6" "H1" 0 35 131072 12 1 0.112700 "H1" "HC" 0 36 131072 1 1 0.017300 "C1" "CT" 0 36 131072 2 6 -0.041100 "H2" "HC" 0 36 131072 3 1 0.017300 "H3" "HC" 0 36 131072 4 1 0.017300 "C" "C" 0 36 131072 5 6 0.586900 "O" "O" 0 36 131072 6 8 -0.591100 "N" "N" 0 36 131072 7 7 -0.419200 "HN" "H" 0 36 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98 131072 5 6 0.586900 "O" "O" 0 98 131072 6 8 -0.591100 "N" "N" 0 98 131072 7 7 -0.419200 "HN" "H" 0 98 131072 8 1 0.282300 "C2" "CT" 0 98 131072 9 6 -0.207800 "H4" "H1" 0 98 131072 10 1 0.112700 "H5" "H1" 0 98 131072 11 1 0.112700 "H6" "H1" 0 98 131072 12 1 0.112700 "H1" "HC" 0 99 131072 1 1 0.017300 "C1" "CT" 0 99 131072 2 6 -0.041100 "H2" "HC" 0 99 131072 3 1 0.017300 "H3" "HC" 0 99 131072 4 1 0.017300 "C" "C" 0 99 131072 5 6 0.586900 "O" "O" 0 99 131072 6 8 -0.591100 "N" "N" 0 99 131072 7 7 -0.419200 "HN" "H" 0 99 131072 8 1 0.282300 "C2" "CT" 0 99 131072 9 6 -0.207800 "H4" "H1" 0 99 131072 10 1 0.112700 "H5" "H1" 0 99 131072 11 1 0.112700 "H6" "H1" 0 99 131072 12 1 0.112700 "H1" "HC" 0 100 131072 1 1 0.017300 "C1" "CT" 0 100 131072 2 6 -0.041100 "H2" "HC" 0 100 131072 3 1 0.017300 "H3" "HC" 0 100 131072 4 1 0.017300 "C" "C" 0 100 131072 5 6 0.586900 "O" "O" 0 100 131072 6 8 -0.591100 "N" "N" 0 100 131072 7 7 -0.419200 "HN" "H" 0 100 131072 8 1 0.282300 "C2" "CT" 0 100 131072 9 6 -0.207800 "H4" "H1" 0 100 131072 10 1 0.112700 "H5" "H1" 0 100 131072 11 1 0.112700 "H6" "H1" 0 100 131072 12 1 0.112700 "H1" "HC" 0 101 131072 1 1 0.017300 "C1" "CT" 0 101 131072 2 6 -0.041100 "H2" "HC" 0 101 131072 3 1 0.017300 "H3" "HC" 0 101 131072 4 1 0.017300 "C" "C" 0 101 131072 5 6 0.586900 "O" "O" 0 101 131072 6 8 -0.591100 "N" "N" 0 101 131072 7 7 -0.419200 "HN" "H" 0 101 131072 8 1 0.282300 "C2" "CT" 0 101 131072 9 6 -0.207800 "H4" "H1" 0 101 131072 10 1 0.112700 "H5" "H1" 0 101 131072 11 1 0.112700 "H6" "H1" 0 101 131072 12 1 0.112700 "H1" "HC" 0 102 131072 1 1 0.017300 "C1" "CT" 0 102 131072 2 6 -0.041100 "H2" "HC" 0 102 131072 3 1 0.017300 "H3" "HC" 0 102 131072 4 1 0.017300 "C" "C" 0 102 131072 5 6 0.586900 "O" "O" 0 102 131072 6 8 -0.591100 "N" "N" 0 102 131072 7 7 -0.419200 "HN" "H" 0 102 131072 8 1 0.282300 "C2" "CT" 0 102 131072 9 6 -0.207800 "H4" "H1" 0 102 131072 10 1 0.112700 "H5" "H1" 0 102 131072 11 1 0.112700 "H6" "H1" 0 102 131072 12 1 0.112700 "H1" "HC" 0 103 131072 1 1 0.017300 "C1" "CT" 0 103 131072 2 6 -0.041100 "H2" "HC" 0 103 131072 3 1 0.017300 "H3" "HC" 0 103 131072 4 1 0.017300 "C" "C" 0 103 131072 5 6 0.586900 "O" "O" 0 103 131072 6 8 -0.591100 "N" "N" 0 103 131072 7 7 -0.419200 "HN" "H" 0 103 131072 8 1 0.282300 "C2" "CT" 0 103 131072 9 6 -0.207800 "H4" "H1" 0 103 131072 10 1 0.112700 "H5" "H1" 0 103 131072 11 1 0.112700 "H6" "H1" 0 103 131072 12 1 0.112700 "H1" "HC" 0 104 131072 1 1 0.017300 "C1" "CT" 0 104 131072 2 6 -0.041100 "H2" "HC" 0 104 131072 3 1 0.017300 "H3" "HC" 0 104 131072 4 1 0.017300 "C" "C" 0 104 131072 5 6 0.586900 "O" "O" 0 104 131072 6 8 -0.591100 "N" "N" 0 104 131072 7 7 -0.419200 "HN" "H" 0 104 131072 8 1 0.282300 "C2" "CT" 0 104 131072 9 6 -0.207800 "H4" "H1" 0 104 131072 10 1 0.112700 "H5" "H1" 0 104 131072 11 1 0.112700 "H6" "H1" 0 104 131072 12 1 0.112700 "H1" "HC" 0 105 131072 1 1 0.017300 "C1" "CT" 0 105 131072 2 6 -0.041100 "H2" "HC" 0 105 131072 3 1 0.017300 "H3" "HC" 0 105 131072 4 1 0.017300 "C" "C" 0 105 131072 5 6 0.586900 "O" "O" 0 105 131072 6 8 -0.591100 "N" "N" 0 105 131072 7 7 -0.419200 "HN" "H" 0 105 131072 8 1 0.282300 "C2" "CT" 0 105 131072 9 6 -0.207800 "H4" "H1" 0 105 131072 10 1 0.112700 "H5" "H1" 0 105 131072 11 1 0.112700 "H6" "H1" 0 105 131072 12 1 0.112700 "H1" "HC" 0 106 131072 1 1 0.017300 "C1" "CT" 0 106 131072 2 6 -0.041100 "H2" "HC" 0 106 131072 3 1 0.017300 "H3" "HC" 0 106 131072 4 1 0.017300 "C" "C" 0 106 131072 5 6 0.586900 "O" "O" 0 106 131072 6 8 -0.591100 "N" "N" 0 106 131072 7 7 -0.419200 "HN" "H" 0 106 131072 8 1 0.282300 "C2" "CT" 0 106 131072 9 6 -0.207800 "H4" "H1" 0 106 131072 10 1 0.112700 "H5" "H1" 0 106 131072 11 1 0.112700 "H6" "H1" 0 106 131072 12 1 0.112700 "H1" "HC" 0 107 131072 1 1 0.017300 "C1" "CT" 0 107 131072 2 6 -0.041100 "H2" "HC" 0 107 131072 3 1 0.017300 "H3" "HC" 0 107 131072 4 1 0.017300 "C" "C" 0 107 131072 5 6 0.586900 "O" "O" 0 107 131072 6 8 -0.591100 "N" "N" 0 107 131072 7 7 -0.419200 "HN" "H" 0 107 131072 8 1 0.282300 "C2" "CT" 0 107 131072 9 6 -0.207800 "H4" "H1" 0 107 131072 10 1 0.112700 "H5" "H1" 0 107 131072 11 1 0.112700 "H6" "H1" 0 107 131072 12 1 0.112700 "H1" "HC" 0 108 131072 1 1 0.017300 "C1" "CT" 0 108 131072 2 6 -0.041100 "H2" "HC" 0 108 131072 3 1 0.017300 "H3" "HC" 0 108 131072 4 1 0.017300 "C" "C" 0 108 131072 5 6 0.586900 "O" "O" 0 108 131072 6 8 -0.591100 "N" "N" 0 108 131072 7 7 -0.419200 "HN" "H" 0 108 131072 8 1 0.282300 "C2" "CT" 0 108 131072 9 6 -0.207800 "H4" "H1" 0 108 131072 10 1 0.112700 "H5" "H1" 0 108 131072 11 1 0.112700 "H6" "H1" 0 108 131072 12 1 0.112700 "H1" "HC" 0 109 131072 1 1 0.017300 "C1" "CT" 0 109 131072 2 6 -0.041100 "H2" "HC" 0 109 131072 3 1 0.017300 "H3" "HC" 0 109 131072 4 1 0.017300 "C" "C" 0 109 131072 5 6 0.586900 "O" "O" 0 109 131072 6 8 -0.591100 "N" "N" 0 109 131072 7 7 -0.419200 "HN" "H" 0 109 131072 8 1 0.282300 "C2" "CT" 0 109 131072 9 6 -0.207800 "H4" "H1" 0 109 131072 10 1 0.112700 "H5" "H1" 0 109 131072 11 1 0.112700 "H6" "H1" 0 109 131072 12 1 0.112700 "H1" "HC" 0 110 131072 1 1 0.017300 "C1" "CT" 0 110 131072 2 6 -0.041100 "H2" "HC" 0 110 131072 3 1 0.017300 "H3" "HC" 0 110 131072 4 1 0.017300 "C" "C" 0 110 131072 5 6 0.586900 "O" "O" 0 110 131072 6 8 -0.591100 "N" "N" 0 110 131072 7 7 -0.419200 "HN" "H" 0 110 131072 8 1 0.282300 "C2" "CT" 0 110 131072 9 6 -0.207800 "H4" "H1" 0 110 131072 10 1 0.112700 "H5" "H1" 0 110 131072 11 1 0.112700 "H6" "H1" 0 110 131072 12 1 0.112700 "H1" "HC" 0 111 131072 1 1 0.017300 "C1" "CT" 0 111 131072 2 6 -0.041100 "H2" "HC" 0 111 131072 3 1 0.017300 "H3" "HC" 0 111 131072 4 1 0.017300 "C" "C" 0 111 131072 5 6 0.586900 "O" "O" 0 111 131072 6 8 -0.591100 "N" "N" 0 111 131072 7 7 -0.419200 "HN" "H" 0 111 131072 8 1 0.282300 "C2" "CT" 0 111 131072 9 6 -0.207800 "H4" "H1" 0 111 131072 10 1 0.112700 "H5" "H1" 0 111 131072 11 1 0.112700 "H6" "H1" 0 111 131072 12 1 0.112700 "H1" "HC" 0 112 131072 1 1 0.017300 "C1" "CT" 0 112 131072 2 6 -0.041100 "H2" "HC" 0 112 131072 3 1 0.017300 "H3" "HC" 0 112 131072 4 1 0.017300 "C" "C" 0 112 131072 5 6 0.586900 "O" "O" 0 112 131072 6 8 -0.591100 "N" "N" 0 112 131072 7 7 -0.419200 "HN" "H" 0 112 131072 8 1 0.282300 "C2" "CT" 0 112 131072 9 6 -0.207800 "H4" "H1" 0 112 131072 10 1 0.112700 "H5" "H1" 0 112 131072 11 1 0.112700 "H6" "H1" 0 112 131072 12 1 0.112700 "H1" "HC" 0 113 131072 1 1 0.017300 "C1" "CT" 0 113 131072 2 6 -0.041100 "H2" "HC" 0 113 131072 3 1 0.017300 "H3" "HC" 0 113 131072 4 1 0.017300 "C" "C" 0 113 131072 5 6 0.586900 "O" "O" 0 113 131072 6 8 -0.591100 "N" "N" 0 113 131072 7 7 -0.419200 "HN" "H" 0 113 131072 8 1 0.282300 "C2" "CT" 0 113 131072 9 6 -0.207800 "H4" "H1" 0 113 131072 10 1 0.112700 "H5" "H1" 0 113 131072 11 1 0.112700 "H6" "H1" 0 113 131072 12 1 0.112700 "H1" "HC" 0 114 131072 1 1 0.017300 "C1" "CT" 0 114 131072 2 6 -0.041100 "H2" "HC" 0 114 131072 3 1 0.017300 "H3" "HC" 0 114 131072 4 1 0.017300 "C" "C" 0 114 131072 5 6 0.586900 "O" "O" 0 114 131072 6 8 -0.591100 "N" "N" 0 114 131072 7 7 -0.419200 "HN" "H" 0 114 131072 8 1 0.282300 "C2" "CT" 0 114 131072 9 6 -0.207800 "H4" "H1" 0 114 131072 10 1 0.112700 "H5" "H1" 0 114 131072 11 1 0.112700 "H6" "H1" 0 114 131072 12 1 0.112700 "H1" "HC" 0 115 131072 1 1 0.017300 "C1" "CT" 0 115 131072 2 6 -0.041100 "H2" "HC" 0 115 131072 3 1 0.017300 "H3" "HC" 0 115 131072 4 1 0.017300 "C" "C" 0 115 131072 5 6 0.586900 "O" "O" 0 115 131072 6 8 -0.591100 "N" "N" 0 115 131072 7 7 -0.419200 "HN" "H" 0 115 131072 8 1 0.282300 "C2" "CT" 0 115 131072 9 6 -0.207800 "H4" "H1" 0 115 131072 10 1 0.112700 "H5" "H1" 0 115 131072 11 1 0.112700 "H6" "H1" 0 115 131072 12 1 0.112700 "H1" "HC" 0 116 131072 1 1 0.017300 "C1" "CT" 0 116 131072 2 6 -0.041100 "H2" "HC" 0 116 131072 3 1 0.017300 "H3" "HC" 0 116 131072 4 1 0.017300 "C" "C" 0 116 131072 5 6 0.586900 "O" "O" 0 116 131072 6 8 -0.591100 "N" "N" 0 116 131072 7 7 -0.419200 "HN" "H" 0 116 131072 8 1 0.282300 "C2" "CT" 0 116 131072 9 6 -0.207800 "H4" "H1" 0 116 131072 10 1 0.112700 "H5" "H1" 0 116 131072 11 1 0.112700 "H6" "H1" 0 116 131072 12 1 0.112700 "H1" "HC" 0 117 131072 1 1 0.017300 "C1" "CT" 0 117 131072 2 6 -0.041100 "H2" "HC" 0 117 131072 3 1 0.017300 "H3" "HC" 0 117 131072 4 1 0.017300 "C" "C" 0 117 131072 5 6 0.586900 "O" "O" 0 117 131072 6 8 -0.591100 "N" "N" 0 117 131072 7 7 -0.419200 "HN" "H" 0 117 131072 8 1 0.282300 "C2" "CT" 0 117 131072 9 6 -0.207800 "H4" "H1" 0 117 131072 10 1 0.112700 "H5" "H1" 0 117 131072 11 1 0.112700 "H6" "H1" 0 117 131072 12 1 0.112700 "H1" "HC" 0 118 131072 1 1 0.017300 "C1" "CT" 0 118 131072 2 6 -0.041100 "H2" "HC" 0 118 131072 3 1 0.017300 "H3" "HC" 0 118 131072 4 1 0.017300 "C" "C" 0 118 131072 5 6 0.586900 "O" "O" 0 118 131072 6 8 -0.591100 "N" "N" 0 118 131072 7 7 -0.419200 "HN" "H" 0 118 131072 8 1 0.282300 "C2" "CT" 0 118 131072 9 6 -0.207800 "H4" "H1" 0 118 131072 10 1 0.112700 "H5" "H1" 0 118 131072 11 1 0.112700 "H6" "H1" 0 118 131072 12 1 0.112700 "H1" "HC" 0 119 131072 1 1 0.017300 "C1" "CT" 0 119 131072 2 6 -0.041100 "H2" "HC" 0 119 131072 3 1 0.017300 "H3" "HC" 0 119 131072 4 1 0.017300 "C" "C" 0 119 131072 5 6 0.586900 "O" "O" 0 119 131072 6 8 -0.591100 "N" "N" 0 119 131072 7 7 -0.419200 "HN" "H" 0 119 131072 8 1 0.282300 "C2" "CT" 0 119 131072 9 6 -0.207800 "H4" "H1" 0 119 131072 10 1 0.112700 "H5" "H1" 0 119 131072 11 1 0.112700 "H6" "H1" 0 119 131072 12 1 0.112700 "H1" "HC" 0 120 131072 1 1 0.017300 "C1" "CT" 0 120 131072 2 6 -0.041100 "H2" "HC" 0 120 131072 3 1 0.017300 "H3" "HC" 0 120 131072 4 1 0.017300 "C" "C" 0 120 131072 5 6 0.586900 "O" "O" 0 120 131072 6 8 -0.591100 "N" "N" 0 120 131072 7 7 -0.419200 "HN" "H" 0 120 131072 8 1 0.282300 "C2" "CT" 0 120 131072 9 6 -0.207800 "H4" "H1" 0 120 131072 10 1 0.112700 "H5" "H1" 0 120 131072 11 1 0.112700 "H6" "H1" 0 120 131072 12 1 0.112700 "H1" "HC" 0 121 131072 1 1 0.017300 "C1" "CT" 0 121 131072 2 6 -0.041100 "H2" "HC" 0 121 131072 3 1 0.017300 "H3" "HC" 0 121 131072 4 1 0.017300 "C" "C" 0 121 131072 5 6 0.586900 "O" "O" 0 121 131072 6 8 -0.591100 "N" "N" 0 121 131072 7 7 -0.419200 "HN" "H" 0 121 131072 8 1 0.282300 "C2" "CT" 0 121 131072 9 6 -0.207800 "H4" "H1" 0 121 131072 10 1 0.112700 "H5" "H1" 0 121 131072 11 1 0.112700 "H6" "H1" 0 121 131072 12 1 0.112700 "H1" "HC" 0 122 131072 1 1 0.017300 "C1" "CT" 0 122 131072 2 6 -0.041100 "H2" "HC" 0 122 131072 3 1 0.017300 "H3" "HC" 0 122 131072 4 1 0.017300 "C" "C" 0 122 131072 5 6 0.586900 "O" "O" 0 122 131072 6 8 -0.591100 "N" "N" 0 122 131072 7 7 -0.419200 "HN" "H" 0 122 131072 8 1 0.282300 "C2" "CT" 0 122 131072 9 6 -0.207800 "H4" "H1" 0 122 131072 10 1 0.112700 "H5" "H1" 0 122 131072 11 1 0.112700 "H6" "H1" 0 122 131072 12 1 0.112700 "H1" "HC" 0 123 131072 1 1 0.017300 "C1" "CT" 0 123 131072 2 6 -0.041100 "H2" "HC" 0 123 131072 3 1 0.017300 "H3" "HC" 0 123 131072 4 1 0.017300 "C" "C" 0 123 131072 5 6 0.586900 "O" "O" 0 123 131072 6 8 -0.591100 "N" "N" 0 123 131072 7 7 -0.419200 "HN" "H" 0 123 131072 8 1 0.282300 "C2" "CT" 0 123 131072 9 6 -0.207800 "H4" "H1" 0 123 131072 10 1 0.112700 "H5" "H1" 0 123 131072 11 1 0.112700 "H6" "H1" 0 123 131072 12 1 0.112700 "H1" "HC" 0 124 131072 1 1 0.017300 "C1" "CT" 0 124 131072 2 6 -0.041100 "H2" "HC" 0 124 131072 3 1 0.017300 "H3" "HC" 0 124 131072 4 1 0.017300 "C" "C" 0 124 131072 5 6 0.586900 "O" "O" 0 124 131072 6 8 -0.591100 "N" "N" 0 124 131072 7 7 -0.419200 "HN" "H" 0 124 131072 8 1 0.282300 "C2" "CT" 0 124 131072 9 6 -0.207800 "H4" "H1" 0 124 131072 10 1 0.112700 "H5" "H1" 0 124 131072 11 1 0.112700 "H6" "H1" 0 124 131072 12 1 0.112700 "H1" "HC" 0 125 131072 1 1 0.017300 "C1" "CT" 0 125 131072 2 6 -0.041100 "H2" "HC" 0 125 131072 3 1 0.017300 "H3" "HC" 0 125 131072 4 1 0.017300 "C" "C" 0 125 131072 5 6 0.586900 "O" "O" 0 125 131072 6 8 -0.591100 "N" "N" 0 125 131072 7 7 -0.419200 "HN" "H" 0 125 131072 8 1 0.282300 "C2" "CT" 0 125 131072 9 6 -0.207800 "H4" "H1" 0 125 131072 10 1 0.112700 "H5" "H1" 0 125 131072 11 1 0.112700 "H6" "H1" 0 125 131072 12 1 0.112700 !entry.a.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "H1" "HC" 0 -1 0.0 "C1" "CT" 0 -1 0.0 "H2" "HC" 0 -1 0.0 "H3" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "HN" "H" 0 -1 0.0 "C2" "CT" 0 -1 0.0 "H4" "H1" 0 -1 0.0 "H5" "H1" 0 -1 0.0 "H6" "H1" 0 -1 0.0 "H1" "HC" 0 -1 0.0 "C1" "CT" 0 -1 0.0 "H2" "HC" 0 -1 0.0 "H3" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "HN" "H" 0 -1 0.0 "C2" "CT" 0 -1 0.0 "H4" "H1" 0 -1 0.0 "H5" "H1" 0 -1 0.0 "H6" "H1" 0 -1 0.0 "H1" "HC" 0 -1 0.0 "C1" "CT" 0 -1 0.0 "H2" "HC" 0 -1 0.0 "H3" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "HN" "H" 0 -1 0.0 "C2" "CT" 0 -1 0.0 "H4" "H1" 0 -1 0.0 "H5" "H1" 0 -1 0.0 "H6" "H1" 0 -1 0.0 "H1" "HC" 0 -1 0.0 "C1" "CT" 0 -1 0.0 "H2" "HC" 0 -1 0.0 "H3" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "HN" "H" 0 -1 0.0 "C2" "CT" 0 -1 0.0 "H4" "H1" 0 -1 0.0 "H5" "H1" 0 -1 0.0 "H6" "H1" 0 -1 0.0 "H1" "HC" 0 -1 0.0 "C1" "CT" 0 -1 0.0 "H2" "HC" 0 -1 0.0 "H3" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "HN" "H" 0 -1 0.0 "C2" "CT" 0 -1 0.0 "H4" "H1" 0 -1 0.0 "H5" "H1" 0 -1 0.0 "H6" "H1" 0 -1 0.0 "H1" "HC" 0 -1 0.0 "C1" "CT" 0 -1 0.0 "H2" "HC" 0 -1 0.0 "H3" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "HN" "H" 0 -1 0.0 "C2" "CT" 0 -1 0.0 "H4" "H1" 0 -1 0.0 "H5" "H1" 0 -1 0.0 "H6" "H1" 0 -1 0.0 "H1" "HC" 0 -1 0.0 "C1" "CT" 0 -1 0.0 "H2" "HC" 0 -1 0.0 "H3" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "HN" "H" 0 -1 0.0 "C2" "CT" 0 -1 0.0 "H4" "H1" 0 -1 0.0 "H5" "H1" 0 -1 0.0 "H6" "H1" 0 -1 0.0 "H1" "HC" 0 -1 0.0 "C1" "CT" 0 -1 0.0 "H2" "HC" 0 -1 0.0 "H3" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "HN" "H" 0 -1 0.0 "C2" "CT" 0 -1 0.0 "H4" "H1" 0 -1 0.0 "H5" "H1" 0 -1 0.0 "H6" "H1" 0 -1 0.0 "H1" "HC" 0 -1 0.0 "C1" "CT" 0 -1 0.0 "H2" "HC" 0 -1 0.0 "H3" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "HN" "H" 0 -1 0.0 "C2" "CT" 0 -1 0.0 "H4" "H1" 0 -1 0.0 "H5" "H1" 0 -1 0.0 "H6" "H1" 0 -1 0.0 "H1" "HC" 0 -1 0.0 "C1" "CT" 0 -1 0.0 "H2" "HC" 0 -1 0.0 "H3" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "HN" "H" 0 -1 0.0 "C2" "CT" 0 -1 0.0 "H4" "H1" 0 -1 0.0 "H5" "H1" 0 -1 0.0 "H6" "H1" 0 -1 0.0 "H1" "HC" 0 -1 0.0 "C1" "CT" 0 -1 0.0 "H2" "HC" 0 -1 0.0 "H3" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "HN" "H" 0 -1 0.0 "C2" "CT" 0 -1 0.0 "H4" "H1" 0 -1 0.0 "H5" "H1" 0 -1 0.0 "H6" "H1" 0 -1 0.0 "H1" "HC" 0 -1 0.0 "C1" "CT" 0 -1 0.0 "H2" "HC" 0 -1 0.0 "H3" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "HN" "H" 0 -1 0.0 "C2" "CT" 0 -1 0.0 "H4" "H1" 0 -1 0.0 "H5" "H1" 0 -1 0.0 "H6" "H1" 0 -1 0.0 "H1" "HC" 0 -1 0.0 "C1" "CT" 0 -1 0.0 "H2" "HC" 0 -1 0.0 "H3" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "HN" "H" 0 -1 0.0 "C2" "CT" 0 -1 0.0 "H4" "H1" 0 -1 0.0 "H5" "H1" 0 -1 0.0 "H6" "H1" 0 -1 0.0 "H1" "HC" 0 -1 0.0 "C1" "CT" 0 -1 0.0 "H2" "HC" 0 -1 0.0 "H3" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" 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0.0 "C1" "CT" 0 -1 0.0 "H2" "HC" 0 -1 0.0 "H3" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "HN" "H" 0 -1 0.0 "C2" "CT" 0 -1 0.0 "H4" "H1" 0 -1 0.0 "H5" "H1" 0 -1 0.0 "H6" "H1" 0 -1 0.0 "H1" "HC" 0 -1 0.0 "C1" "CT" 0 -1 0.0 "H2" "HC" 0 -1 0.0 "H3" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "HN" "H" 0 -1 0.0 "C2" "CT" 0 -1 0.0 "H4" "H1" 0 -1 0.0 "H5" "H1" 0 -1 0.0 "H6" "H1" 0 -1 0.0 "H1" "HC" 0 -1 0.0 "C1" "CT" 0 -1 0.0 "H2" "HC" 0 -1 0.0 "H3" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "HN" "H" 0 -1 0.0 "C2" "CT" 0 -1 0.0 "H4" "H1" 0 -1 0.0 "H5" "H1" 0 -1 0.0 "H6" "H1" 0 -1 0.0 !entry.a.unit.boundbox array dbl 1.000000 1.570797 26.350000 26.350000 26.350000 !entry.a.unit.childsequence single int 1240126 !entry.a.unit.connect array int 0 1495 !entry.a.unit.connectivity table int atom1x int atom2x int flags 9 10 1 9 11 1 9 12 1 7 8 1 7 9 1 5 6 1 5 7 1 2 3 1 2 4 1 2 5 1 1 2 1 21 22 1 21 23 1 21 24 1 19 20 1 19 21 1 17 18 1 17 19 1 14 15 1 14 16 1 14 17 1 13 14 1 33 34 1 33 35 1 33 36 1 31 32 1 31 33 1 29 30 1 29 31 1 26 27 1 26 28 1 26 29 1 25 26 1 45 46 1 45 47 1 45 48 1 43 44 1 43 45 1 41 42 1 41 43 1 38 39 1 38 40 1 38 41 1 37 38 1 57 58 1 57 59 1 57 60 1 55 56 1 55 57 1 53 54 1 53 55 1 50 51 1 50 52 1 50 53 1 49 50 1 69 70 1 69 71 1 69 72 1 67 68 1 67 69 1 65 66 1 65 67 1 62 63 1 62 64 1 62 65 1 61 62 1 81 82 1 81 83 1 81 84 1 79 80 1 79 81 1 77 78 1 77 79 1 74 75 1 74 76 1 74 77 1 73 74 1 93 94 1 93 95 1 93 96 1 91 92 1 91 93 1 89 90 1 89 91 1 86 87 1 86 88 1 86 89 1 85 86 1 105 106 1 105 107 1 105 108 1 103 104 1 103 105 1 101 102 1 101 103 1 98 99 1 98 100 1 98 101 1 97 98 1 117 118 1 117 119 1 117 120 1 115 116 1 115 117 1 113 114 1 113 115 1 110 111 1 110 112 1 110 113 1 109 110 1 129 130 1 129 131 1 129 132 1 127 128 1 127 129 1 125 126 1 125 127 1 122 123 1 122 124 1 122 125 1 121 122 1 141 142 1 141 143 1 141 144 1 139 140 1 139 141 1 137 138 1 137 139 1 134 135 1 134 136 1 134 137 1 133 134 1 153 154 1 153 155 1 153 156 1 151 152 1 151 153 1 149 150 1 149 151 1 146 147 1 146 148 1 146 149 1 145 146 1 165 166 1 165 167 1 165 168 1 163 164 1 163 165 1 161 162 1 161 163 1 158 159 1 158 160 1 158 161 1 157 158 1 177 178 1 177 179 1 177 180 1 175 176 1 175 177 1 173 174 1 173 175 1 170 171 1 170 172 1 170 173 1 169 170 1 189 190 1 189 191 1 189 192 1 187 188 1 187 189 1 185 186 1 185 187 1 182 183 1 182 184 1 182 185 1 181 182 1 201 202 1 201 203 1 201 204 1 199 200 1 199 201 1 197 198 1 197 199 1 194 195 1 194 196 1 194 197 1 193 194 1 213 214 1 213 215 1 213 216 1 211 212 1 211 213 1 209 210 1 209 211 1 206 207 1 206 208 1 206 209 1 205 206 1 225 226 1 225 227 1 225 228 1 223 224 1 223 225 1 221 222 1 221 223 1 218 219 1 218 220 1 218 221 1 217 218 1 237 238 1 237 239 1 237 240 1 235 236 1 235 237 1 233 234 1 233 235 1 230 231 1 230 232 1 230 233 1 229 230 1 249 250 1 249 251 1 249 252 1 247 248 1 247 249 1 245 246 1 245 247 1 242 243 1 242 244 1 242 245 1 241 242 1 261 262 1 261 263 1 261 264 1 259 260 1 259 261 1 257 258 1 257 259 1 254 255 1 254 256 1 254 257 1 253 254 1 273 274 1 273 275 1 273 276 1 271 272 1 271 273 1 269 270 1 269 271 1 266 267 1 266 268 1 266 269 1 265 266 1 285 286 1 285 287 1 285 288 1 283 284 1 283 285 1 281 282 1 281 283 1 278 279 1 278 280 1 278 281 1 277 278 1 297 298 1 297 299 1 297 300 1 295 296 1 295 297 1 293 294 1 293 295 1 290 291 1 290 292 1 290 293 1 289 290 1 309 310 1 309 311 1 309 312 1 307 308 1 307 309 1 305 306 1 305 307 1 302 303 1 302 304 1 302 305 1 301 302 1 321 322 1 321 323 1 321 324 1 319 320 1 319 321 1 317 318 1 317 319 1 314 315 1 314 316 1 314 317 1 313 314 1 333 334 1 333 335 1 333 336 1 331 332 1 331 333 1 329 330 1 329 331 1 326 327 1 326 328 1 326 329 1 325 326 1 345 346 1 345 347 1 345 348 1 343 344 1 343 345 1 341 342 1 341 343 1 338 339 1 338 340 1 338 341 1 337 338 1 357 358 1 357 359 1 357 360 1 355 356 1 355 357 1 353 354 1 353 355 1 350 351 1 350 352 1 350 353 1 349 350 1 369 370 1 369 371 1 369 372 1 367 368 1 367 369 1 365 366 1 365 367 1 362 363 1 362 364 1 362 365 1 361 362 1 381 382 1 381 383 1 381 384 1 379 380 1 379 381 1 377 378 1 377 379 1 374 375 1 374 376 1 374 377 1 373 374 1 393 394 1 393 395 1 393 396 1 391 392 1 391 393 1 389 390 1 389 391 1 386 387 1 386 388 1 386 389 1 385 386 1 405 406 1 405 407 1 405 408 1 403 404 1 403 405 1 401 402 1 401 403 1 398 399 1 398 400 1 398 401 1 397 398 1 417 418 1 417 419 1 417 420 1 415 416 1 415 417 1 413 414 1 413 415 1 410 411 1 410 412 1 410 413 1 409 410 1 429 430 1 429 431 1 429 432 1 427 428 1 427 429 1 425 426 1 425 427 1 422 423 1 422 424 1 422 425 1 421 422 1 441 442 1 441 443 1 441 444 1 439 440 1 439 441 1 437 438 1 437 439 1 434 435 1 434 436 1 434 437 1 433 434 1 453 454 1 453 455 1 453 456 1 451 452 1 451 453 1 449 450 1 449 451 1 446 447 1 446 448 1 446 449 1 445 446 1 465 466 1 465 467 1 465 468 1 463 464 1 463 465 1 461 462 1 461 463 1 458 459 1 458 460 1 458 461 1 457 458 1 477 478 1 477 479 1 477 480 1 475 476 1 475 477 1 473 474 1 473 475 1 470 471 1 470 472 1 470 473 1 469 470 1 489 490 1 489 491 1 489 492 1 487 488 1 487 489 1 485 486 1 485 487 1 482 483 1 482 484 1 482 485 1 481 482 1 501 502 1 501 503 1 501 504 1 499 500 1 499 501 1 497 498 1 497 499 1 494 495 1 494 496 1 494 497 1 493 494 1 513 514 1 513 515 1 513 516 1 511 512 1 511 513 1 509 510 1 509 511 1 506 507 1 506 508 1 506 509 1 505 506 1 525 526 1 525 527 1 525 528 1 523 524 1 523 525 1 521 522 1 521 523 1 518 519 1 518 520 1 518 521 1 517 518 1 537 538 1 537 539 1 537 540 1 535 536 1 535 537 1 533 534 1 533 535 1 530 531 1 530 532 1 530 533 1 529 530 1 549 550 1 549 551 1 549 552 1 547 548 1 547 549 1 545 546 1 545 547 1 542 543 1 542 544 1 542 545 1 541 542 1 561 562 1 561 563 1 561 564 1 559 560 1 559 561 1 557 558 1 557 559 1 554 555 1 554 556 1 554 557 1 553 554 1 573 574 1 573 575 1 573 576 1 571 572 1 571 573 1 569 570 1 569 571 1 566 567 1 566 568 1 566 569 1 565 566 1 585 586 1 585 587 1 585 588 1 583 584 1 583 585 1 581 582 1 581 583 1 578 579 1 578 580 1 578 581 1 577 578 1 597 598 1 597 599 1 597 600 1 595 596 1 595 597 1 593 594 1 593 595 1 590 591 1 590 592 1 590 593 1 589 590 1 609 610 1 609 611 1 609 612 1 607 608 1 607 609 1 605 606 1 605 607 1 602 603 1 602 604 1 602 605 1 601 602 1 621 622 1 621 623 1 621 624 1 619 620 1 619 621 1 617 618 1 617 619 1 614 615 1 614 616 1 614 617 1 613 614 1 633 634 1 633 635 1 633 636 1 631 632 1 631 633 1 629 630 1 629 631 1 626 627 1 626 628 1 626 629 1 625 626 1 645 646 1 645 647 1 645 648 1 643 644 1 643 645 1 641 642 1 641 643 1 638 639 1 638 640 1 638 641 1 637 638 1 657 658 1 657 659 1 657 660 1 655 656 1 655 657 1 653 654 1 653 655 1 650 651 1 650 652 1 650 653 1 649 650 1 669 670 1 669 671 1 669 672 1 667 668 1 667 669 1 665 666 1 665 667 1 662 663 1 662 664 1 662 665 1 661 662 1 681 682 1 681 683 1 681 684 1 679 680 1 679 681 1 677 678 1 677 679 1 674 675 1 674 676 1 674 677 1 673 674 1 693 694 1 693 695 1 693 696 1 691 692 1 691 693 1 689 690 1 689 691 1 686 687 1 686 688 1 686 689 1 685 686 1 705 706 1 705 707 1 705 708 1 703 704 1 703 705 1 701 702 1 701 703 1 698 699 1 698 700 1 698 701 1 697 698 1 717 718 1 717 719 1 717 720 1 715 716 1 715 717 1 713 714 1 713 715 1 710 711 1 710 712 1 710 713 1 709 710 1 729 730 1 729 731 1 729 732 1 727 728 1 727 729 1 725 726 1 725 727 1 722 723 1 722 724 1 722 725 1 721 722 1 741 742 1 741 743 1 741 744 1 739 740 1 739 741 1 737 738 1 737 739 1 734 735 1 734 736 1 734 737 1 733 734 1 753 754 1 753 755 1 753 756 1 751 752 1 751 753 1 749 750 1 749 751 1 746 747 1 746 748 1 746 749 1 745 746 1 765 766 1 765 767 1 765 768 1 763 764 1 763 765 1 761 762 1 761 763 1 758 759 1 758 760 1 758 761 1 757 758 1 777 778 1 777 779 1 777 780 1 775 776 1 775 777 1 773 774 1 773 775 1 770 771 1 770 772 1 770 773 1 769 770 1 789 790 1 789 791 1 789 792 1 787 788 1 787 789 1 785 786 1 785 787 1 782 783 1 782 784 1 782 785 1 781 782 1 801 802 1 801 803 1 801 804 1 799 800 1 799 801 1 797 798 1 797 799 1 794 795 1 794 796 1 794 797 1 793 794 1 813 814 1 813 815 1 813 816 1 811 812 1 811 813 1 809 810 1 809 811 1 806 807 1 806 808 1 806 809 1 805 806 1 825 826 1 825 827 1 825 828 1 823 824 1 823 825 1 821 822 1 821 823 1 818 819 1 818 820 1 818 821 1 817 818 1 837 838 1 837 839 1 837 840 1 835 836 1 835 837 1 833 834 1 833 835 1 830 831 1 830 832 1 830 833 1 829 830 1 849 850 1 849 851 1 849 852 1 847 848 1 847 849 1 845 846 1 845 847 1 842 843 1 842 844 1 842 845 1 841 842 1 861 862 1 861 863 1 861 864 1 859 860 1 859 861 1 857 858 1 857 859 1 854 855 1 854 856 1 854 857 1 853 854 1 873 874 1 873 875 1 873 876 1 871 872 1 871 873 1 869 870 1 869 871 1 866 867 1 866 868 1 866 869 1 865 866 1 885 886 1 885 887 1 885 888 1 883 884 1 883 885 1 881 882 1 881 883 1 878 879 1 878 880 1 878 881 1 877 878 1 897 898 1 897 899 1 897 900 1 895 896 1 895 897 1 893 894 1 893 895 1 890 891 1 890 892 1 890 893 1 889 890 1 909 910 1 909 911 1 909 912 1 907 908 1 907 909 1 905 906 1 905 907 1 902 903 1 902 904 1 902 905 1 901 902 1 921 922 1 921 923 1 921 924 1 919 920 1 919 921 1 917 918 1 917 919 1 914 915 1 914 916 1 914 917 1 913 914 1 933 934 1 933 935 1 933 936 1 931 932 1 931 933 1 929 930 1 929 931 1 926 927 1 926 928 1 926 929 1 925 926 1 945 946 1 945 947 1 945 948 1 943 944 1 943 945 1 941 942 1 941 943 1 938 939 1 938 940 1 938 941 1 937 938 1 957 958 1 957 959 1 957 960 1 955 956 1 955 957 1 953 954 1 953 955 1 950 951 1 950 952 1 950 953 1 949 950 1 969 970 1 969 971 1 969 972 1 967 968 1 967 969 1 965 966 1 965 967 1 962 963 1 962 964 1 962 965 1 961 962 1 981 982 1 981 983 1 981 984 1 979 980 1 979 981 1 977 978 1 977 979 1 974 975 1 974 976 1 974 977 1 973 974 1 993 994 1 993 995 1 993 996 1 991 992 1 991 993 1 989 990 1 989 991 1 986 987 1 986 988 1 986 989 1 985 986 1 1005 1006 1 1005 1007 1 1005 1008 1 1003 1004 1 1003 1005 1 1001 1002 1 1001 1003 1 998 999 1 998 1000 1 998 1001 1 997 998 1 1017 1018 1 1017 1019 1 1017 1020 1 1015 1016 1 1015 1017 1 1013 1014 1 1013 1015 1 1010 1011 1 1010 1012 1 1010 1013 1 1009 1010 1 1029 1030 1 1029 1031 1 1029 1032 1 1027 1028 1 1027 1029 1 1025 1026 1 1025 1027 1 1022 1023 1 1022 1024 1 1022 1025 1 1021 1022 1 1041 1042 1 1041 1043 1 1041 1044 1 1039 1040 1 1039 1041 1 1037 1038 1 1037 1039 1 1034 1035 1 1034 1036 1 1034 1037 1 1033 1034 1 1053 1054 1 1053 1055 1 1053 1056 1 1051 1052 1 1051 1053 1 1049 1050 1 1049 1051 1 1046 1047 1 1046 1048 1 1046 1049 1 1045 1046 1 1065 1066 1 1065 1067 1 1065 1068 1 1063 1064 1 1063 1065 1 1061 1062 1 1061 1063 1 1058 1059 1 1058 1060 1 1058 1061 1 1057 1058 1 1077 1078 1 1077 1079 1 1077 1080 1 1075 1076 1 1075 1077 1 1073 1074 1 1073 1075 1 1070 1071 1 1070 1072 1 1070 1073 1 1069 1070 1 1089 1090 1 1089 1091 1 1089 1092 1 1087 1088 1 1087 1089 1 1085 1086 1 1085 1087 1 1082 1083 1 1082 1084 1 1082 1085 1 1081 1082 1 1101 1102 1 1101 1103 1 1101 1104 1 1099 1100 1 1099 1101 1 1097 1098 1 1097 1099 1 1094 1095 1 1094 1096 1 1094 1097 1 1093 1094 1 1113 1114 1 1113 1115 1 1113 1116 1 1111 1112 1 1111 1113 1 1109 1110 1 1109 1111 1 1106 1107 1 1106 1108 1 1106 1109 1 1105 1106 1 1125 1126 1 1125 1127 1 1125 1128 1 1123 1124 1 1123 1125 1 1121 1122 1 1121 1123 1 1118 1119 1 1118 1120 1 1118 1121 1 1117 1118 1 1137 1138 1 1137 1139 1 1137 1140 1 1135 1136 1 1135 1137 1 1133 1134 1 1133 1135 1 1130 1131 1 1130 1132 1 1130 1133 1 1129 1130 1 1149 1150 1 1149 1151 1 1149 1152 1 1147 1148 1 1147 1149 1 1145 1146 1 1145 1147 1 1142 1143 1 1142 1144 1 1142 1145 1 1141 1142 1 1161 1162 1 1161 1163 1 1161 1164 1 1159 1160 1 1159 1161 1 1157 1158 1 1157 1159 1 1154 1155 1 1154 1156 1 1154 1157 1 1153 1154 1 1173 1174 1 1173 1175 1 1173 1176 1 1171 1172 1 1171 1173 1 1169 1170 1 1169 1171 1 1166 1167 1 1166 1168 1 1166 1169 1 1165 1166 1 1185 1186 1 1185 1187 1 1185 1188 1 1183 1184 1 1183 1185 1 1181 1182 1 1181 1183 1 1178 1179 1 1178 1180 1 1178 1181 1 1177 1178 1 1197 1198 1 1197 1199 1 1197 1200 1 1195 1196 1 1195 1197 1 1193 1194 1 1193 1195 1 1190 1191 1 1190 1192 1 1190 1193 1 1189 1190 1 1209 1210 1 1209 1211 1 1209 1212 1 1207 1208 1 1207 1209 1 1205 1206 1 1205 1207 1 1202 1203 1 1202 1204 1 1202 1205 1 1201 1202 1 1221 1222 1 1221 1223 1 1221 1224 1 1219 1220 1 1219 1221 1 1217 1218 1 1217 1219 1 1214 1215 1 1214 1216 1 1214 1217 1 1213 1214 1 1233 1234 1 1233 1235 1 1233 1236 1 1231 1232 1 1231 1233 1 1229 1230 1 1229 1231 1 1226 1227 1 1226 1228 1 1226 1229 1 1225 1226 1 1245 1246 1 1245 1247 1 1245 1248 1 1243 1244 1 1243 1245 1 1241 1242 1 1241 1243 1 1238 1239 1 1238 1240 1 1238 1241 1 1237 1238 1 1257 1258 1 1257 1259 1 1257 1260 1 1255 1256 1 1255 1257 1 1253 1254 1 1253 1255 1 1250 1251 1 1250 1252 1 1250 1253 1 1249 1250 1 1269 1270 1 1269 1271 1 1269 1272 1 1267 1268 1 1267 1269 1 1265 1266 1 1265 1267 1 1262 1263 1 1262 1264 1 1262 1265 1 1261 1262 1 1281 1282 1 1281 1283 1 1281 1284 1 1279 1280 1 1279 1281 1 1277 1278 1 1277 1279 1 1274 1275 1 1274 1276 1 1274 1277 1 1273 1274 1 1293 1294 1 1293 1295 1 1293 1296 1 1291 1292 1 1291 1293 1 1289 1290 1 1289 1291 1 1286 1287 1 1286 1288 1 1286 1289 1 1285 1286 1 1305 1306 1 1305 1307 1 1305 1308 1 1303 1304 1 1303 1305 1 1301 1302 1 1301 1303 1 1298 1299 1 1298 1300 1 1298 1301 1 1297 1298 1 1317 1318 1 1317 1319 1 1317 1320 1 1315 1316 1 1315 1317 1 1313 1314 1 1313 1315 1 1310 1311 1 1310 1312 1 1310 1313 1 1309 1310 1 1329 1330 1 1329 1331 1 1329 1332 1 1327 1328 1 1327 1329 1 1325 1326 1 1325 1327 1 1322 1323 1 1322 1324 1 1322 1325 1 1321 1322 1 1341 1342 1 1341 1343 1 1341 1344 1 1339 1340 1 1339 1341 1 1337 1338 1 1337 1339 1 1334 1335 1 1334 1336 1 1334 1337 1 1333 1334 1 1353 1354 1 1353 1355 1 1353 1356 1 1351 1352 1 1351 1353 1 1349 1350 1 1349 1351 1 1346 1347 1 1346 1348 1 1346 1349 1 1345 1346 1 1365 1366 1 1365 1367 1 1365 1368 1 1363 1364 1 1363 1365 1 1361 1362 1 1361 1363 1 1358 1359 1 1358 1360 1 1358 1361 1 1357 1358 1 1377 1378 1 1377 1379 1 1377 1380 1 1375 1376 1 1375 1377 1 1373 1374 1 1373 1375 1 1370 1371 1 1370 1372 1 1370 1373 1 1369 1370 1 1389 1390 1 1389 1391 1 1389 1392 1 1387 1388 1 1387 1389 1 1385 1386 1 1385 1387 1 1382 1383 1 1382 1384 1 1382 1385 1 1381 1382 1 1401 1402 1 1401 1403 1 1401 1404 1 1399 1400 1 1399 1401 1 1397 1398 1 1397 1399 1 1394 1395 1 1394 1396 1 1394 1397 1 1393 1394 1 1413 1414 1 1413 1415 1 1413 1416 1 1411 1412 1 1411 1413 1 1409 1410 1 1409 1411 1 1406 1407 1 1406 1408 1 1406 1409 1 1405 1406 1 1425 1426 1 1425 1427 1 1425 1428 1 1423 1424 1 1423 1425 1 1421 1422 1 1421 1423 1 1418 1419 1 1418 1420 1 1418 1421 1 1417 1418 1 1437 1438 1 1437 1439 1 1437 1440 1 1435 1436 1 1435 1437 1 1433 1434 1 1433 1435 1 1430 1431 1 1430 1432 1 1430 1433 1 1429 1430 1 1449 1450 1 1449 1451 1 1449 1452 1 1447 1448 1 1447 1449 1 1445 1446 1 1445 1447 1 1442 1443 1 1442 1444 1 1442 1445 1 1441 1442 1 1461 1462 1 1461 1463 1 1461 1464 1 1459 1460 1 1459 1461 1 1457 1458 1 1457 1459 1 1454 1455 1 1454 1456 1 1454 1457 1 1453 1454 1 1473 1474 1 1473 1475 1 1473 1476 1 1471 1472 1 1471 1473 1 1469 1470 1 1469 1471 1 1466 1467 1 1466 1468 1 1466 1469 1 1465 1466 1 1485 1486 1 1485 1487 1 1485 1488 1 1483 1484 1 1483 1485 1 1481 1482 1 1481 1483 1 1478 1479 1 1478 1480 1 1478 1481 1 1477 1478 1 1497 1498 1 1497 1499 1 1497 1500 1 1495 1496 1 1495 1497 1 1493 1494 1 1493 1495 1 1490 1491 1 1490 1492 1 1490 1493 1 1489 1490 1 !entry.a.unit.hierarchy table str abovetype int abovex str belowtype int belowx "U" 0 "R" 1 "R" 1 "A" 12 "R" 1 "A" 11 "R" 1 "A" 10 "R" 1 "A" 9 "R" 1 "A" 8 "R" 1 "A" 7 "R" 1 "A" 6 "R" 1 "A" 5 "R" 1 "A" 4 "R" 1 "A" 3 "R" 1 "A" 2 "R" 1 "A" 1 "U" 0 "R" 2 "R" 2 "A" 24 "R" 2 "A" 23 "R" 2 "A" 22 "R" 2 "A" 21 "R" 2 "A" 20 "R" 2 "A" 19 "R" 2 "A" 18 "R" 2 "A" 17 "R" 2 "A" 16 "R" 2 "A" 15 "R" 2 "A" 14 "R" 2 "A" 13 "U" 0 "R" 3 "R" 3 "A" 36 "R" 3 "A" 35 "R" 3 "A" 34 "R" 3 "A" 33 "R" 3 "A" 32 "R" 3 "A" 31 "R" 3 "A" 30 "R" 3 "A" 29 "R" 3 "A" 28 "R" 3 "A" 27 "R" 3 "A" 26 "R" 3 "A" 25 "U" 0 "R" 4 "R" 4 "A" 48 "R" 4 "A" 47 "R" 4 "A" 46 "R" 4 "A" 45 "R" 4 "A" 44 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"R" 97 "A" 1159 "R" 97 "A" 1158 "R" 97 "A" 1157 "R" 97 "A" 1156 "R" 97 "A" 1155 "R" 97 "A" 1154 "R" 97 "A" 1153 "U" 0 "R" 98 "R" 98 "A" 1176 "R" 98 "A" 1175 "R" 98 "A" 1174 "R" 98 "A" 1173 "R" 98 "A" 1172 "R" 98 "A" 1171 "R" 98 "A" 1170 "R" 98 "A" 1169 "R" 98 "A" 1168 "R" 98 "A" 1167 "R" 98 "A" 1166 "R" 98 "A" 1165 "U" 0 "R" 99 "R" 99 "A" 1188 "R" 99 "A" 1187 "R" 99 "A" 1186 "R" 99 "A" 1185 "R" 99 "A" 1184 "R" 99 "A" 1183 "R" 99 "A" 1182 "R" 99 "A" 1181 "R" 99 "A" 1180 "R" 99 "A" 1179 "R" 99 "A" 1178 "R" 99 "A" 1177 "U" 0 "R" 100 "R" 100 "A" 1200 "R" 100 "A" 1199 "R" 100 "A" 1198 "R" 100 "A" 1197 "R" 100 "A" 1196 "R" 100 "A" 1195 "R" 100 "A" 1194 "R" 100 "A" 1193 "R" 100 "A" 1192 "R" 100 "A" 1191 "R" 100 "A" 1190 "R" 100 "A" 1189 "U" 0 "R" 101 "R" 101 "A" 1212 "R" 101 "A" 1211 "R" 101 "A" 1210 "R" 101 "A" 1209 "R" 101 "A" 1208 "R" 101 "A" 1207 "R" 101 "A" 1206 "R" 101 "A" 1205 "R" 101 "A" 1204 "R" 101 "A" 1203 "R" 101 "A" 1202 "R" 101 "A" 1201 "U" 0 "R" 102 "R" 102 "A" 1224 "R" 102 "A" 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"R" 111 "A" 1328 "R" 111 "A" 1327 "R" 111 "A" 1326 "R" 111 "A" 1325 "R" 111 "A" 1324 "R" 111 "A" 1323 "R" 111 "A" 1322 "R" 111 "A" 1321 "U" 0 "R" 112 "R" 112 "A" 1344 "R" 112 "A" 1343 "R" 112 "A" 1342 "R" 112 "A" 1341 "R" 112 "A" 1340 "R" 112 "A" 1339 "R" 112 "A" 1338 "R" 112 "A" 1337 "R" 112 "A" 1336 "R" 112 "A" 1335 "R" 112 "A" 1334 "R" 112 "A" 1333 "U" 0 "R" 113 "R" 113 "A" 1356 "R" 113 "A" 1355 "R" 113 "A" 1354 "R" 113 "A" 1353 "R" 113 "A" 1352 "R" 113 "A" 1351 "R" 113 "A" 1350 "R" 113 "A" 1349 "R" 113 "A" 1348 "R" 113 "A" 1347 "R" 113 "A" 1346 "R" 113 "A" 1345 "U" 0 "R" 114 "R" 114 "A" 1368 "R" 114 "A" 1367 "R" 114 "A" 1366 "R" 114 "A" 1365 "R" 114 "A" 1364 "R" 114 "A" 1363 "R" 114 "A" 1362 "R" 114 "A" 1361 "R" 114 "A" 1360 "R" 114 "A" 1359 "R" 114 "A" 1358 "R" 114 "A" 1357 "U" 0 "R" 115 "R" 115 "A" 1380 "R" 115 "A" 1379 "R" 115 "A" 1378 "R" 115 "A" 1377 "R" 115 "A" 1376 "R" 115 "A" 1375 "R" 115 "A" 1374 "R" 115 "A" 1373 "R" 115 "A" 1372 "R" 115 "A" 1371 "R" 115 "A" 1370 "R" 115 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"R" 125 "A" 1499 "R" 125 "A" 1498 "R" 125 "A" 1497 "R" 125 "A" 1496 "R" 125 "A" 1495 "R" 125 "A" 1494 "R" 125 "A" 1493 "R" 125 "A" 1492 "R" 125 "A" 1491 "R" 125 "A" 1490 "R" 125 "A" 1489 !entry.a.unit.name single str "" !entry.a.unit.positions table dbl x dbl y dbl z 2.646154 8.267679 -3.851527 3.199154 9.163679 -4.133527 2.956154 9.534679 -5.129527 4.248154 8.944679 -4.332527 2.904154 10.281679 -3.058527 1.909154 11.022679 -3.071527 3.886154 10.513679 -2.186527 4.634154 9.841679 -2.285527 4.244154 11.885679 -1.905527 5.194154 11.849679 -1.372527 4.291154 12.497679 -2.805527 3.527154 12.307679 -1.200527 -6.231846 -13.852321 -12.499527 -5.737846 -12.898321 -12.683527 -6.303846 -12.266321 -13.367527 -4.718846 -13.086321 -13.021527 -5.592846 -12.078321 -11.418527 -6.347846 -12.211321 -10.481527 -4.507846 -11.260321 -11.405527 -3.908846 -11.350321 -12.213527 -3.940846 -10.625321 -10.226527 -4.410846 -11.040321 -9.334527 -2.875846 -10.856321 -10.257527 -4.323846 -9.605321 -10.263527 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8.052473 -5.959846 -5.463321 8.817473 -5.913846 -4.781321 9.666473 -5.436846 -6.370321 9.120473 -5.354846 -5.001321 8.036473 -1.182846 2.970679 8.777473 -0.197846 2.575679 8.527473 0.068154 1.744679 9.180473 0.441154 3.447679 8.663473 -0.324846 1.965679 7.141473 0.575154 2.065679 6.363473 -1.464846 1.292679 6.902473 -2.246846 1.466679 7.518473 -1.601846 0.421679 5.773473 -2.040846 1.001679 4.961473 -0.656846 0.017679 5.409473 -2.194846 -0.475321 5.951473 -9.915846 5.742679 2.249473 -10.769846 5.910679 2.905473 -11.100846 6.919679 2.661473 -10.471846 5.733679 3.939473 -11.963846 4.982679 2.541473 -12.561846 4.340679 3.436473 -12.185846 4.885679 1.231473 -11.454846 5.285679 0.661473 -13.326846 4.153679 0.652473 -13.787846 3.474679 1.369473 -13.982846 4.883679 0.176473 -12.914846 3.436679 -0.057527 9.067154 -7.415321 7.563473 9.478154 -8.421321 7.476473 9.745154 -8.608321 6.436473 8.790154 -9.237321 7.699473 10.632154 -8.641321 8.406473 10.474154 -8.848321 9.602473 11.898154 -8.712321 7.889473 12.024154 -8.339321 6.959473 13.215154 -9.075321 8.442473 13.623154 -9.964321 7.961473 13.951154 -8.271321 8.434473 13.185154 -9.250321 9.518473 !entry.a.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 1 7 0 0 0 0 13 19 0 0 0 0 25 31 0 0 0 0 37 43 0 0 0 0 49 55 0 0 0 0 61 67 0 0 0 0 73 79 0 0 0 0 85 91 0 0 0 0 97 103 0 0 0 0 109 115 0 0 0 0 121 127 0 0 0 0 133 139 0 0 0 0 145 151 0 0 0 0 157 163 0 0 0 0 169 175 0 0 0 0 181 187 0 0 0 0 193 199 0 0 0 0 205 211 0 0 0 0 217 223 0 0 0 0 229 235 0 0 0 0 241 247 0 0 0 0 253 259 0 0 0 0 265 271 0 0 0 0 277 283 0 0 0 0 289 295 0 0 0 0 301 307 0 0 0 0 313 319 0 0 0 0 325 331 0 0 0 0 337 343 0 0 0 0 349 355 0 0 0 0 361 367 0 0 0 0 373 379 0 0 0 0 385 391 0 0 0 0 397 403 0 0 0 0 409 415 0 0 0 0 421 427 0 0 0 0 433 439 0 0 0 0 445 451 0 0 0 0 457 463 0 0 0 0 469 475 0 0 0 0 481 487 0 0 0 0 493 499 0 0 0 0 505 511 0 0 0 0 517 523 0 0 0 0 529 535 0 0 0 0 541 547 0 0 0 0 553 559 0 0 0 0 565 571 0 0 0 0 577 583 0 0 0 0 589 595 0 0 0 0 601 607 0 0 0 0 613 619 0 0 0 0 625 631 0 0 0 0 637 643 0 0 0 0 649 655 0 0 0 0 661 667 0 0 0 0 673 679 0 0 0 0 685 691 0 0 0 0 697 703 0 0 0 0 709 715 0 0 0 0 721 727 0 0 0 0 733 739 0 0 0 0 745 751 0 0 0 0 757 763 0 0 0 0 769 775 0 0 0 0 781 787 0 0 0 0 793 799 0 0 0 0 805 811 0 0 0 0 817 823 0 0 0 0 829 835 0 0 0 0 841 847 0 0 0 0 853 859 0 0 0 0 865 871 0 0 0 0 877 883 0 0 0 0 889 895 0 0 0 0 901 907 0 0 0 0 913 919 0 0 0 0 925 931 0 0 0 0 937 943 0 0 0 0 949 955 0 0 0 0 961 967 0 0 0 0 973 979 0 0 0 0 985 991 0 0 0 0 997 1003 0 0 0 0 1009 1015 0 0 0 0 1021 1027 0 0 0 0 1033 1039 0 0 0 0 1045 1051 0 0 0 0 1057 1063 0 0 0 0 1069 1075 0 0 0 0 1081 1087 0 0 0 0 1093 1099 0 0 0 0 1105 1111 0 0 0 0 1117 1123 0 0 0 0 1129 1135 0 0 0 0 1141 1147 0 0 0 0 1153 1159 0 0 0 0 1165 1171 0 0 0 0 1177 1183 0 0 0 0 1189 1195 0 0 0 0 1201 1207 0 0 0 0 1213 1219 0 0 0 0 1225 1231 0 0 0 0 1237 1243 0 0 0 0 1249 1255 0 0 0 0 1261 1267 0 0 0 0 1273 1279 0 0 0 0 1285 1291 0 0 0 0 1297 1303 0 0 0 0 1309 1315 0 0 0 0 1321 1327 0 0 0 0 1333 1339 0 0 0 0 1345 1351 0 0 0 0 1357 1363 0 0 0 0 1369 1375 0 0 0 0 1381 1387 0 0 0 0 1393 1399 0 0 0 0 1405 1411 0 0 0 0 1417 1423 0 0 0 0 1429 1435 0 0 0 0 1441 1447 0 0 0 0 1453 1459 0 0 0 0 1465 1471 0 0 0 0 1477 1483 0 0 0 0 1489 1495 0 0 0 0 !entry.a.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "NMA" 1 13 1 "?" 0 "NMA" 10002 13 13 "?" 0 "NMA" 20003 13 25 "?" 0 "NMA" 30004 13 37 "?" 0 "NMA" 40005 13 49 "?" 0 "NMA" 50006 13 61 "?" 0 "NMA" 60007 13 73 "?" 0 "NMA" 70008 13 85 "?" 0 "NMA" 80009 13 97 "?" 0 "NMA" 90010 13 109 "?" 0 "NMA" 100011 13 121 "?" 0 "NMA" 110012 13 133 "?" 0 "NMA" 120013 13 145 "?" 0 "NMA" 130014 13 157 "?" 0 "NMA" 140015 13 169 "?" 0 "NMA" 150016 13 181 "?" 0 "NMA" 160017 13 193 "?" 0 "NMA" 170018 13 205 "?" 0 "NMA" 180019 13 217 "?" 0 "NMA" 190020 13 229 "?" 0 "NMA" 200021 13 241 "?" 0 "NMA" 210022 13 253 "?" 0 "NMA" 220023 13 265 "?" 0 "NMA" 230024 13 277 "?" 0 "NMA" 240025 13 289 "?" 0 "NMA" 250026 13 301 "?" 0 "NMA" 260027 13 313 "?" 0 "NMA" 270028 13 325 "?" 0 "NMA" 280029 13 337 "?" 0 "NMA" 290030 13 349 "?" 0 "NMA" 300031 13 361 "?" 0 "NMA" 310032 13 373 "?" 0 "NMA" 320033 13 385 "?" 0 "NMA" 330034 13 397 "?" 0 "NMA" 340035 13 409 "?" 0 "NMA" 350036 13 421 "?" 0 "NMA" 360037 13 433 "?" 0 "NMA" 370038 13 445 "?" 0 "NMA" 380039 13 457 "?" 0 "NMA" 390040 13 469 "?" 0 "NMA" 400041 13 481 "?" 0 "NMA" 410042 13 493 "?" 0 "NMA" 420043 13 505 "?" 0 "NMA" 430044 13 517 "?" 0 "NMA" 440045 13 529 "?" 0 "NMA" 450046 13 541 "?" 0 "NMA" 460047 13 553 "?" 0 "NMA" 470048 13 565 "?" 0 "NMA" 480049 13 577 "?" 0 "NMA" 490050 13 589 "?" 0 "NMA" 500051 13 601 "?" 0 "NMA" 510052 13 613 "?" 0 "NMA" 520053 13 625 "?" 0 "NMA" 530054 13 637 "?" 0 "NMA" 540055 13 649 "?" 0 "NMA" 550056 13 661 "?" 0 "NMA" 560057 13 673 "?" 0 "NMA" 570058 13 685 "?" 0 "NMA" 580059 13 697 "?" 0 "NMA" 590060 13 709 "?" 0 "NMA" 600061 13 721 "?" 0 "NMA" 610062 13 733 "?" 0 "NMA" 620063 13 745 "?" 0 "NMA" 630064 13 757 "?" 0 "NMA" 640065 13 769 "?" 0 "NMA" 650066 13 781 "?" 0 "NMA" 660067 13 793 "?" 0 "NMA" 670068 13 805 "?" 0 "NMA" 680069 13 817 "?" 0 "NMA" 690070 13 829 "?" 0 "NMA" 700071 13 841 "?" 0 "NMA" 710072 13 853 "?" 0 "NMA" 720073 13 865 "?" 0 "NMA" 730074 13 877 "?" 0 "NMA" 740075 13 889 "?" 0 "NMA" 750076 13 901 "?" 0 "NMA" 760077 13 913 "?" 0 "NMA" 770078 13 925 "?" 0 "NMA" 780079 13 937 "?" 0 "NMA" 790080 13 949 "?" 0 "NMA" 800081 13 961 "?" 0 "NMA" 810082 13 973 "?" 0 "NMA" 820083 13 985 "?" 0 "NMA" 830084 13 997 "?" 0 "NMA" 840085 13 1009 "?" 0 "NMA" 850086 13 1021 "?" 0 "NMA" 860087 13 1033 "?" 0 "NMA" 870088 13 1045 "?" 0 "NMA" 880089 13 1057 "?" 0 "NMA" 890090 13 1069 "?" 0 "NMA" 900091 13 1081 "?" 0 "NMA" 910092 13 1093 "?" 0 "NMA" 920093 13 1105 "?" 0 "NMA" 930094 13 1117 "?" 0 "NMA" 940095 13 1129 "?" 0 "NMA" 950096 13 1141 "?" 0 "NMA" 960097 13 1153 "?" 0 "NMA" 970098 13 1165 "?" 0 "NMA" 980099 13 1177 "?" 0 "NMA" 990100 13 1189 "?" 0 "NMA" 1000101 13 1201 "?" 0 "NMA" 1010102 13 1213 "?" 0 "NMA" 1020103 13 1225 "?" 0 "NMA" 1030104 13 1237 "?" 0 "NMA" 1040105 13 1249 "?" 0 "NMA" 1050106 13 1261 "?" 0 "NMA" 1060107 13 1273 "?" 0 "NMA" 1070108 13 1285 "?" 0 "NMA" 1080109 13 1297 "?" 0 "NMA" 1090110 13 1309 "?" 0 "NMA" 1100111 13 1321 "?" 0 "NMA" 1110112 13 1333 "?" 0 "NMA" 1120113 13 1345 "?" 0 "NMA" 1130114 13 1357 "?" 0 "NMA" 1140115 13 1369 "?" 0 "NMA" 1150116 13 1381 "?" 0 "NMA" 1160117 13 1393 "?" 0 "NMA" 1170118 13 1405 "?" 0 "NMA" 1180119 13 1417 "?" 0 "NMA" 1190120 13 1429 "?" 0 "NMA" 1200121 13 1441 "?" 0 "NMA" 1210122 13 1453 "?" 0 "NMA" 1220123 13 1465 "?" 0 "NMA" 1230124 13 1477 "?" 0 "NMA" 1240125 13 1489 "?" 0 !entry.a.unit.residuesPdbSequenceNumber array int 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 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