!!index array str "BQ1" !entry.BQ1.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "P" "p5" 0 1 131075 1 15 0.670400 "C1" "c3" 0 1 131075 2 6 -0.016600 "C2" "c3" 0 1 131075 3 6 0.031800 "O2" "os" 0 1 131075 4 8 -0.272100 "C3" "c3" 0 1 131075 5 6 0.032000 "O3" "os" 0 1 131075 6 8 -0.207200 "C4" "ce" 0 1 131075 7 6 -0.030800 "O4" "o" 0 1 131075 8 8 -0.612800 "C5" "cf" 0 1 131075 9 6 -0.095900 "O5" "o" 0 1 131075 10 8 -0.670800 "C6" "cf" 0 1 131075 11 6 -0.131100 "C7" "c3" 0 1 131075 12 6 0.041200 "C8" "c3" 0 1 131075 13 6 0.016100 "C9" "ce" 0 1 131075 14 6 -0.040900 "C10" "cf" 0 1 131075 15 6 -0.346200 "C11" "cf" 0 1 131075 16 6 -0.012000 "C12" "c3" 0 1 131075 17 6 0.146500 "C13" "c3" 0 1 131075 18 6 0.040700 "C14" "ce" 0 1 131075 19 6 -0.119200 "C15" "cf" 0 1 131075 20 6 -0.098900 "C16" "cf" 0 1 131075 21 6 -0.011600 "C17" "c3" 0 1 131075 22 6 0.128800 "C18" "c3" 0 1 131075 23 6 0.075500 "C19" "c3" 0 1 131075 24 6 -0.027100 "N1B" "na" 0 1 131075 25 7 -0.033800 "C1P" "c3" 0 1 131075 26 6 0.044800 "C1R" "c3" 0 1 131075 27 6 0.119700 "C20" "c3" 0 1 131075 28 6 0.023500 "N21" "Y1" 0 1 131075 29 7 -0.121400 "N22" "Y2" 0 1 131075 30 7 0.087200 "N23" "Y3" 0 1 131075 31 7 -0.094000 "N24" "Y4" 0 1 131075 32 7 -0.259600 "C25" "c3" 0 1 131075 33 6 -0.030200 "C26" "c3" 0 1 131075 34 6 0.045500 "C27" "c" 0 1 131075 35 6 0.536300 "O28" "o" 0 1 131075 36 8 -0.528700 "N29" "n" 0 1 131075 37 7 -0.842900 "C2B" "cc" 0 1 131075 38 6 0.144000 "C2P" "c3" 0 1 131075 39 6 0.002800 "C2R" "c3" 0 1 131075 40 6 0.084400 "C30" "c3" 0 1 131075 41 6 -0.017700 "C31" "c3" 0 1 131075 42 6 -0.009600 "C32" "c" 0 1 131075 43 6 0.514900 "N33" "n" 0 1 131075 44 7 -0.840200 "O34" "o" 0 1 131075 45 8 -0.520000 "C35" "c3" 0 1 131075 46 6 0.071700 "C36" "c3" 0 1 131075 47 6 -0.017900 "C37" "c3" 0 1 131075 48 6 -0.007400 "C38" "c" 0 1 131075 49 6 0.508300 "O39" "o" 0 1 131075 50 8 -0.494800 "N3B" "nd" 0 1 131075 51 7 -0.654100 "C3R" "c3" 0 1 131075 52 6 0.019600 "N40" "n" 0 1 131075 53 7 -0.825500 "C41" "c3" 0 1 131075 54 6 -0.010700 "C42" "c3" 0 1 131075 55 6 0.075400 "C43" "c" 0 1 131075 56 6 0.470300 "O44" "o" 0 1 131075 57 8 -0.496500 "N45" "n" 0 1 131075 58 7 -0.808800 "C46" "c3" 0 1 131075 59 6 -0.022600 "C47" "c3" 0 1 131075 60 6 -0.004900 "C48" "c3" 0 1 131075 61 6 -0.015500 "C49" "c3" 0 1 131075 62 6 0.033900 "N4B" "nb" 0 1 131075 63 7 -0.700400 "C4R" "c3" 0 1 131075 64 6 -0.005200 "C50" "c" 0 1 131075 65 6 0.336800 "O51" "o" 0 1 131075 66 8 -0.518300 "N52" "n" 0 1 131075 67 7 -0.388200 "C53" "c3" 0 1 131075 68 6 -0.038600 "C54" "c3" 0 1 131075 69 6 -0.029600 "C55" "c3" 0 1 131075 70 6 -0.009700 "C56" "c3" 0 1 131075 71 6 0.053200 "C57" "c" 0 1 131075 72 6 0.232200 "O58" "o" 0 1 131075 73 8 -0.517000 "N59" "n" 0 1 131075 74 7 0.005000 "C5B" "ca" 0 1 131075 75 6 0.494700 "C5R" "c3" 0 1 131075 76 6 -0.007200 "C60" "c3" 0 1 131075 77 6 -0.041900 "C61" "c" 0 1 131075 78 6 0.483600 "N62" "n" 0 1 131075 79 7 -0.803200 "O63" "o" 0 1 131075 80 8 -0.493500 "N6B" "nb" 0 1 131075 81 7 -0.665800 "O6R" "os" 0 1 131075 82 8 -0.339500 "N7A" "nh" 0 1 131075 83 7 -0.708200 "C7B" "ca" 0 1 131075 84 6 0.434700 "O7R" "oh" 0 1 131075 85 8 -0.650300 "C8B" "ca" 0 1 131075 86 6 -0.201000 "O8R" "oh" 0 1 131075 87 8 -0.259400 "C9B" "ca" 0 1 131075 88 6 0.766100 "CO" "M1" 0 1 131075 89 27 -0.159100 "O" "Y5" 0 1 131075 90 8 -0.528100 "HO8R" "ho" 0 1 131075 91 67 0.205900 "HO7R" "ho" 0 1 131075 92 67 0.496700 "HN7B" "hn" 0 1 131075 93 1 0.344900 "HN7A" "hn" 0 1 131075 94 1 0.367400 "HN6A" "hn" 0 1 131075 95 1 0.401400 "HN62" "hn" 0 1 131075 96 1 0.359300 "HN5A" "hn" 0 1 131075 97 1 0.277000 "HN59" "hn" 0 1 131075 98 1 -0.100700 "HN52" "hn" 0 1 131075 99 1 0.111300 "HN4B" "hn" 0 1 131075 100 1 0.392200 "HN4A" "hn" 0 1 131075 101 1 0.380900 "HN45" "hn" 0 1 131075 102 1 0.357100 "HN40" "hn" 0 1 131075 103 1 0.361800 "HN3A" "hn" 0 1 131075 104 1 0.392600 "HN33" "hn" 0 1 131075 105 1 0.370800 "HN2A" "hn" 0 1 131075 106 1 0.393700 "HN29" "hn" 0 1 131075 107 1 0.374000 "H60A" "hc" 0 1 131075 108 1 0.000300 "H5RA" "h1" 0 1 131075 109 1 0.052800 "H56A" "hc" 0 1 131075 110 1 0.071000 "H55A" "hc" 0 1 131075 111 1 -0.006800 "H54B" "hc" 0 1 131075 112 1 -0.006800 "H54A" "hc" 0 1 131075 113 1 -0.006800 "H53B" "hc" 0 1 131075 114 1 0.016600 "H53A" "hc" 0 1 131075 115 1 0.016600 "H49A" "hc" 0 1 131075 116 1 0.049900 "H48A" "hc" 0 1 131075 117 1 -0.010700 "H47B" "hc" 0 1 131075 118 1 -0.011400 "H47A" "hc" 0 1 131075 119 1 -0.011400 "H46B" "hc" 0 1 131075 120 1 -0.020700 "H46A" "hc" 0 1 131075 121 1 -0.020700 "H42A" "hc" 0 1 131075 122 1 -0.020900 "H41A" "hc" 0 1 131075 123 1 0.005900 "H37A" "hc" 0 1 131075 124 1 0.005700 "H36B" "hc" 0 1 131075 125 1 -0.006500 "H36A" "hc" 0 1 131075 126 1 -0.006500 "H35B" "hc" 0 1 131075 127 1 -0.018900 "H35A" "hc" 0 1 131075 128 1 -0.018900 "H31A" "hc" 0 1 131075 129 1 0.007700 "H30A" "hc" 0 1 131075 130 1 0.030900 "H2PA" "h1" 0 1 131075 131 1 0.063800 "H26A" "hc" 0 1 131075 132 1 -0.003500 "H25B" "hc" 0 1 131075 133 1 0.009800 "H25A" "hc" 0 1 131075 134 1 0.009800 "H20B" "hc" 0 1 131075 135 1 0.006700 "H20A" "hc" 0 1 131075 136 1 0.006700 "H1PA" "h1" 0 1 131075 137 1 0.038300 "H8" "hc" 0 1 131075 138 1 0.013400 "H60" "hc" 0 1 131075 139 1 0.000300 "H5R" "h1" 0 1 131075 140 1 0.052800 "H5B" "h5" 0 1 131075 141 1 0.014400 "H56" "hc" 0 1 131075 142 1 0.071000 "H55" "hc" 0 1 131075 143 1 -0.006800 "H54" "hc" 0 1 131075 144 1 -0.006800 "H53" "hc" 0 1 131075 145 1 0.016600 "H4R" "h1" 0 1 131075 146 1 0.130500 "H49" "hc" 0 1 131075 147 1 0.049900 "H48" "hc" 0 1 131075 148 1 -0.010700 "H47" "hc" 0 1 131075 149 1 -0.011400 "H46" "hc" 0 1 131075 150 1 -0.020700 "H42" "hc" 0 1 131075 151 1 -0.020900 "H41" "hc" 0 1 131075 152 1 0.005900 "H3R" "h1" 0 1 131075 153 1 0.115900 "H37" "hc" 0 1 131075 154 1 0.005700 "H36" "hc" 0 1 131075 155 1 -0.006500 "H35" "hc" 0 1 131075 156 1 -0.018900 "H31" "hc" 0 1 131075 157 1 0.007700 "H30" "hc" 0 1 131075 158 1 0.030900 "H3" "hc" 0 1 131075 159 1 0.069800 "H2R" "h1" 0 1 131075 160 1 0.157200 "H2P" "h1" 0 1 131075 161 1 0.063800 "H2B" "h5" 0 1 131075 162 1 0.181700 "H26" "hc" 0 1 131075 163 1 -0.003500 "H25" "hc" 0 1 131075 164 1 0.009800 "H20" "hc" 0 1 131075 165 1 0.006700 "H1R" "h2" 0 1 131075 166 1 0.111600 "H1P" "h1" 0 1 131075 167 1 0.038300 "H19" "h1" 0 1 131075 168 1 0.066600 "H18" "hc" 0 1 131075 169 1 -0.002400 "H13" "hc" 0 1 131075 170 1 0.044600 "H10" "ha" 0 1 131075 171 1 0.130700 "H1" "HW" 0 1 131075 172 1 0.339500 "H2" "HW" 0 1 131075 173 1 0.307100 !entry.BQ1.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "P" "p5" 0 -1 0.0 "C1" "c3" 0 -1 0.0 "C2" "c3" 0 -1 0.0 "O2" "os" 0 -1 0.0 "C3" "c3" 0 -1 0.0 "O3" "os" 0 -1 0.0 "C4" "ce" 0 -1 0.0 "O4" "o" 0 -1 0.0 "C5" "cf" 0 -1 0.0 "O5" "o" 0 -1 0.0 "C6" "cf" 0 -1 0.0 "C7" "c3" 0 -1 0.0 "C8" "c3" 0 -1 0.0 "C9" "ce" 0 -1 0.0 "C10" "cf" 0 -1 0.0 "C11" "cf" 0 -1 0.0 "C12" "c3" 0 -1 0.0 "C13" "c3" 0 -1 0.0 "C14" "ce" 0 -1 0.0 "C15" "cf" 0 -1 0.0 "C16" "cf" 0 -1 0.0 "C17" "c3" 0 -1 0.0 "C18" "c3" 0 -1 0.0 "C19" "c3" 0 -1 0.0 "N1B" "na" 0 -1 0.0 "C1P" "c3" 0 -1 0.0 "C1R" "c3" 0 -1 0.0 "C20" "c3" 0 -1 0.0 "N21" "Y1" 0 -1 0.0 "N22" "Y2" 0 -1 0.0 "N23" "Y3" 0 -1 0.0 "N24" "Y4" 0 -1 0.0 "C25" "c3" 0 -1 0.0 "C26" "c3" 0 -1 0.0 "C27" "c" 0 -1 0.0 "O28" "o" 0 -1 0.0 "N29" "n" 0 -1 0.0 "C2B" "cc" 0 -1 0.0 "C2P" "c3" 0 -1 0.0 "C2R" "c3" 0 -1 0.0 "C30" "c3" 0 -1 0.0 "C31" "c3" 0 -1 0.0 "C32" "c" 0 -1 0.0 "N33" "n" 0 -1 0.0 "O34" "o" 0 -1 0.0 "C35" "c3" 0 -1 0.0 "C36" "c3" 0 -1 0.0 "C37" "c3" 0 -1 0.0 "C38" "c" 0 -1 0.0 "O39" "o" 0 -1 0.0 "N3B" "nd" 0 -1 0.0 "C3R" "c3" 0 -1 0.0 "N40" "n" 0 -1 0.0 "C41" "c3" 0 -1 0.0 "C42" "c3" 0 -1 0.0 "C43" "c" 0 -1 0.0 "O44" "o" 0 -1 0.0 "N45" "n" 0 -1 0.0 "C46" "c3" 0 -1 0.0 "C47" "c3" 0 -1 0.0 "C48" "c3" 0 -1 0.0 "C49" "c3" 0 -1 0.0 "N4B" "nb" 0 -1 0.0 "C4R" "c3" 0 -1 0.0 "C50" "c" 0 -1 0.0 "O51" "o" 0 -1 0.0 "N52" "n" 0 -1 0.0 "C53" "c3" 0 -1 0.0 "C54" "c3" 0 -1 0.0 "C55" "c3" 0 -1 0.0 "C56" "c3" 0 -1 0.0 "C57" "c" 0 -1 0.0 "O58" "o" 0 -1 0.0 "N59" "n" 0 -1 0.0 "C5B" "ca" 0 -1 0.0 "C5R" "c3" 0 -1 0.0 "C60" "c3" 0 -1 0.0 "C61" "c" 0 -1 0.0 "N62" "n" 0 -1 0.0 "O63" "o" 0 -1 0.0 "N6B" "nb" 0 -1 0.0 "O6R" "os" 0 -1 0.0 "N7A" "nh" 0 -1 0.0 "C7B" "ca" 0 -1 0.0 "O7R" "oh" 0 -1 0.0 "C8B" "ca" 0 -1 0.0 "O8R" "oh" 0 -1 0.0 "C9B" "ca" 0 -1 0.0 "CO" "M1" 0 -1 0.0 "O" "Y5" 0 -1 0.0 "HO8R" "ho" 0 -1 0.0 "HO7R" "ho" 0 -1 0.0 "HN7B" "hn" 0 -1 0.0 "HN7A" "hn" 0 -1 0.0 "HN6A" "hn" 0 -1 0.0 "HN62" "hn" 0 -1 0.0 "HN5A" "hn" 0 -1 0.0 "HN59" "hn" 0 -1 0.0 "HN52" "hn" 0 -1 0.0 "HN4B" "hn" 0 -1 0.0 "HN4A" "hn" 0 -1 0.0 "HN45" "hn" 0 -1 0.0 "HN40" "hn" 0 -1 0.0 "HN3A" "hn" 0 -1 0.0 "HN33" "hn" 0 -1 0.0 "HN2A" "hn" 0 -1 0.0 "HN29" "hn" 0 -1 0.0 "H60A" "hc" 0 -1 0.0 "H5RA" "h1" 0 -1 0.0 "H56A" "hc" 0 -1 0.0 "H55A" "hc" 0 -1 0.0 "H54B" "hc" 0 -1 0.0 "H54A" "hc" 0 -1 0.0 "H53B" "hc" 0 -1 0.0 "H53A" "hc" 0 -1 0.0 "H49A" "hc" 0 -1 0.0 "H48A" "hc" 0 -1 0.0 "H47B" "hc" 0 -1 0.0 "H47A" "hc" 0 -1 0.0 "H46B" "hc" 0 -1 0.0 "H46A" "hc" 0 -1 0.0 "H42A" "hc" 0 -1 0.0 "H41A" "hc" 0 -1 0.0 "H37A" "hc" 0 -1 0.0 "H36B" "hc" 0 -1 0.0 "H36A" "hc" 0 -1 0.0 "H35B" "hc" 0 -1 0.0 "H35A" "hc" 0 -1 0.0 "H31A" "hc" 0 -1 0.0 "H30A" "hc" 0 -1 0.0 "H2PA" "h1" 0 -1 0.0 "H26A" "hc" 0 -1 0.0 "H25B" "hc" 0 -1 0.0 "H25A" "hc" 0 -1 0.0 "H20B" "hc" 0 -1 0.0 "H20A" "hc" 0 -1 0.0 "H1PA" "h1" 0 -1 0.0 "H8" "hc" 0 -1 0.0 "H60" "hc" 0 -1 0.0 "H5R" "h1" 0 -1 0.0 "H5B" "h5" 0 -1 0.0 "H56" "hc" 0 -1 0.0 "H55" "hc" 0 -1 0.0 "H54" "hc" 0 -1 0.0 "H53" "hc" 0 -1 0.0 "H4R" "h1" 0 -1 0.0 "H49" "hc" 0 -1 0.0 "H48" "hc" 0 -1 0.0 "H47" "hc" 0 -1 0.0 "H46" "hc" 0 -1 0.0 "H42" "hc" 0 -1 0.0 "H41" "hc" 0 -1 0.0 "H3R" "h1" 0 -1 0.0 "H37" "hc" 0 -1 0.0 "H36" "hc" 0 -1 0.0 "H35" "hc" 0 -1 0.0 "H31" "hc" 0 -1 0.0 "H30" "hc" 0 -1 0.0 "H3" "hc" 0 -1 0.0 "H2R" "h1" 0 -1 0.0 "H2P" "h1" 0 -1 0.0 "H2B" "h5" 0 -1 0.0 "H26" "hc" 0 -1 0.0 "H25" "hc" 0 -1 0.0 "H20" "hc" 0 -1 0.0 "H1R" "h2" 0 -1 0.0 "H1P" "h1" 0 -1 0.0 "H19" "h1" 0 -1 0.0 "H18" "hc" 0 -1 0.0 "H13" "hc" 0 -1 0.0 "H10" "ha" 0 -1 0.0 "H1" "HW" 0 -1 0.0 "H2" "HW" 0 -1 0.0 !entry.BQ1.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.BQ1.unit.childsequence single int 415 !entry.BQ1.unit.connect array int 0 0 !entry.BQ1.unit.connectivity table int atom1x int atom2x int flags 1 4 1 1 6 1 1 8 1 1 10 1 2 3 1 2 24 1 2 28 1 2 29 1 3 5 1 3 33 1 3 34 1 4 52 1 5 7 1 5 41 1 5 159 1 6 39 1 7 9 1 7 29 1 9 11 1 9 46 1 11 12 1 11 30 1 12 13 1 12 47 1 12 48 1 13 14 1 13 54 1 13 138 1 14 15 1 14 30 1 15 16 1 15 171 1 16 17 1 16 31 1 17 18 1 17 59 1 17 60 1 18 19 1 18 61 1 18 170 1 19 20 1 19 31 1 20 21 1 20 68 1 21 22 1 21 32 1 22 23 1 22 69 1 22 70 1 23 24 1 23 77 1 23 169 1 24 32 1 24 168 1 25 27 1 25 38 1 25 86 1 26 39 1 26 74 1 26 137 1 26 167 1 27 40 1 27 82 1 27 166 1 28 135 1 28 136 1 28 165 1 29 89 1 30 89 1 31 89 1 32 89 1 33 133 1 33 134 1 33 164 1 34 35 1 34 132 1 34 163 1 35 36 1 35 37 1 37 106 1 37 107 1 38 51 1 38 162 1 39 131 1 39 161 1 40 52 1 40 85 1 40 160 1 41 42 1 41 130 1 41 158 1 42 43 1 42 129 1 42 157 1 43 44 1 43 45 1 44 104 1 44 105 1 46 127 1 46 128 1 46 156 1 47 125 1 47 126 1 47 155 1 48 49 1 48 124 1 48 154 1 49 50 1 49 53 1 51 88 1 52 64 1 52 153 1 53 101 1 53 103 1 54 55 1 54 123 1 54 152 1 55 56 1 55 122 1 55 151 1 56 57 1 56 58 1 58 100 1 58 102 1 59 120 1 59 121 1 59 150 1 60 118 1 60 119 1 60 149 1 61 62 1 61 117 1 61 148 1 62 65 1 62 116 1 62 147 1 63 75 1 63 88 1 64 76 1 64 82 1 64 146 1 65 66 1 65 67 1 67 97 1 67 99 1 68 114 1 68 115 1 68 145 1 69 112 1 69 113 1 69 144 1 70 71 1 70 111 1 70 143 1 71 72 1 71 110 1 71 142 1 72 73 1 72 74 1 74 98 1 75 81 1 75 141 1 76 87 1 76 109 1 76 140 1 77 78 1 77 108 1 77 139 1 78 79 1 78 80 1 79 95 1 79 96 1 81 84 1 83 84 1 83 93 1 83 94 1 84 86 1 85 92 1 86 88 1 87 91 1 89 90 1 90 172 1 90 173 1 !entry.BQ1.unit.hierarchy table str abovetype int abovex str belowtype int belowx "U" 0 "R" 1 "R" 1 "A" 1 "R" 1 "A" 2 "R" 1 "A" 3 "R" 1 "A" 4 "R" 1 "A" 5 "R" 1 "A" 6 "R" 1 "A" 7 "R" 1 "A" 8 "R" 1 "A" 9 "R" 1 "A" 10 "R" 1 "A" 11 "R" 1 "A" 12 "R" 1 "A" 13 "R" 1 "A" 14 "R" 1 "A" 15 "R" 1 "A" 16 "R" 1 "A" 17 "R" 1 "A" 18 "R" 1 "A" 19 "R" 1 "A" 20 "R" 1 "A" 21 "R" 1 "A" 22 "R" 1 "A" 23 "R" 1 "A" 24 "R" 1 "A" 25 "R" 1 "A" 26 "R" 1 "A" 27 "R" 1 "A" 28 "R" 1 "A" 29 "R" 1 "A" 30 "R" 1 "A" 31 "R" 1 "A" 32 "R" 1 "A" 33 "R" 1 "A" 34 "R" 1 "A" 35 "R" 1 "A" 36 "R" 1 "A" 37 "R" 1 "A" 38 "R" 1 "A" 39 "R" 1 "A" 40 "R" 1 "A" 41 "R" 1 "A" 42 "R" 1 "A" 43 "R" 1 "A" 44 "R" 1 "A" 45 "R" 1 "A" 46 "R" 1 "A" 47 "R" 1 "A" 48 "R" 1 "A" 49 "R" 1 "A" 50 "R" 1 "A" 51 "R" 1 "A" 52 "R" 1 "A" 53 "R" 1 "A" 54 "R" 1 "A" 55 "R" 1 "A" 56 "R" 1 "A" 57 "R" 1 "A" 58 "R" 1 "A" 59 "R" 1 "A" 60 "R" 1 "A" 61 "R" 1 "A" 62 "R" 1 "A" 63 "R" 1 "A" 64 "R" 1 "A" 65 "R" 1 "A" 66 "R" 1 "A" 67 "R" 1 "A" 68 "R" 1 "A" 69 "R" 1 "A" 70 "R" 1 "A" 71 "R" 1 "A" 72 "R" 1 "A" 73 "R" 1 "A" 74 "R" 1 "A" 75 "R" 1 "A" 76 "R" 1 "A" 77 "R" 1 "A" 78 "R" 1 "A" 79 "R" 1 "A" 80 "R" 1 "A" 81 "R" 1 "A" 82 "R" 1 "A" 83 "R" 1 "A" 84 "R" 1 "A" 85 "R" 1 "A" 86 "R" 1 "A" 87 "R" 1 "A" 88 "R" 1 "A" 89 "R" 1 "A" 90 "R" 1 "A" 91 "R" 1 "A" 92 "R" 1 "A" 93 "R" 1 "A" 94 "R" 1 "A" 95 "R" 1 "A" 96 "R" 1 "A" 97 "R" 1 "A" 98 "R" 1 "A" 99 "R" 1 "A" 100 "R" 1 "A" 101 "R" 1 "A" 102 "R" 1 "A" 103 "R" 1 "A" 104 "R" 1 "A" 105 "R" 1 "A" 106 "R" 1 "A" 107 "R" 1 "A" 108 "R" 1 "A" 109 "R" 1 "A" 110 "R" 1 "A" 111 "R" 1 "A" 112 "R" 1 "A" 113 "R" 1 "A" 114 "R" 1 "A" 115 "R" 1 "A" 116 "R" 1 "A" 117 "R" 1 "A" 118 "R" 1 "A" 119 "R" 1 "A" 120 "R" 1 "A" 121 "R" 1 "A" 122 "R" 1 "A" 123 "R" 1 "A" 124 "R" 1 "A" 125 "R" 1 "A" 126 "R" 1 "A" 127 "R" 1 "A" 128 "R" 1 "A" 129 "R" 1 "A" 130 "R" 1 "A" 131 "R" 1 "A" 132 "R" 1 "A" 133 "R" 1 "A" 134 "R" 1 "A" 135 "R" 1 "A" 136 "R" 1 "A" 137 "R" 1 "A" 138 "R" 1 "A" 139 "R" 1 "A" 140 "R" 1 "A" 141 "R" 1 "A" 142 "R" 1 "A" 143 "R" 1 "A" 144 "R" 1 "A" 145 "R" 1 "A" 146 "R" 1 "A" 147 "R" 1 "A" 148 "R" 1 "A" 149 "R" 1 "A" 150 "R" 1 "A" 151 "R" 1 "A" 152 "R" 1 "A" 153 "R" 1 "A" 154 "R" 1 "A" 155 "R" 1 "A" 156 "R" 1 "A" 157 "R" 1 "A" 158 "R" 1 "A" 159 "R" 1 "A" 160 "R" 1 "A" 161 "R" 1 "A" 162 "R" 1 "A" 163 "R" 1 "A" 164 "R" 1 "A" 165 "R" 1 "A" 166 "R" 1 "A" 167 "R" 1 "A" 168 "R" 1 "A" 169 "R" 1 "A" 170 "R" 1 "A" 171 "R" 1 "A" 172 "R" 1 "A" 173 !entry.BQ1.unit.name single str "default_name" !entry.BQ1.unit.positions table dbl x dbl y dbl z -14.625000 -9.150000 -7.059000 -8.263000 -16.108000 -9.229000 -7.856000 -17.490000 -8.599000 -13.908000 -10.316000 -6.240000 -6.492000 -17.129000 -7.906000 -14.568000 -9.735000 -8.563000 -6.024000 -15.972000 -8.755000 -16.014000 -8.955000 -6.590000 -4.620000 -15.454000 -8.759000 -13.675000 -7.987000 -7.023000 -4.261000 -14.316000 -9.460000 -2.903000 -13.603000 -9.540000 -3.408000 -12.151000 -9.723000 -4.697000 -12.392000 -10.473000 -5.209000 -11.430000 -11.317000 -6.421000 -11.545000 -12.002000 -6.936000 -10.434000 -12.892000 -8.367000 -10.919000 -13.331000 -8.483000 -12.296000 -12.580000 -9.562000 -13.132000 -12.705000 -9.671000 -14.397000 -11.945000 -10.822000 -15.400000 -11.970000 -10.478000 -16.218000 -10.710000 -8.947000 -16.122000 -10.627000 -13.603000 -12.322000 -3.953000 -15.018000 -11.178000 -10.411000 -12.282000 -12.201000 -4.558000 -9.063000 -15.221000 -8.290000 -6.976000 -15.466000 -9.472000 -5.238000 -13.579000 -10.126000 -7.274000 -12.580000 -11.875000 -8.665000 -14.793000 -11.207000 -8.912000 -18.071000 -7.644000 -7.503000 -18.482000 -9.737000 -7.022000 -19.883000 -9.322000 -6.623000 -20.126000 -8.176000 -7.035000 -20.791000 -10.289000 -14.594000 -12.903000 -4.601000 -15.509000 -10.672000 -9.027000 -11.853000 -10.772000 -4.903000 -6.579000 -16.825000 -6.395000 -6.157000 -18.010000 -5.522000 -6.464000 -17.783000 -4.058000 -5.573000 -18.245000 -3.197000 -7.486000 -17.180000 -3.713000 -3.688000 -16.273000 -7.910000 -1.941000 -13.659000 -8.336000 -2.138000 -13.965000 -10.849000 -1.328000 -15.266000 -10.734000 -1.890000 -16.315000 -10.422000 -15.707000 -13.097000 -3.858000 -12.520000 -10.608000 -6.264000 -0.034000 -15.204000 -11.020000 -3.673000 -11.526000 -8.340000 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-14.129000 -12.121000 -2.681000 -11.056000 -11.315000 -8.833000 -15.420000 -12.608000 -2.614000 -6.945000 -14.129000 -10.785000 -7.644000 -12.977000 -9.261000 -10.331000 -11.391000 -9.250000 -13.091000 -9.558000 -4.169000 -11.896000 -10.930000 -2.145000 -12.152000 -10.564000 -0.724000 -14.141000 -18.340000 -10.763000 -13.063000 -18.627000 -11.750000 -13.098000 -8.828000 -10.759000 -13.085000 -11.600000 -10.051000 -11.998000 -9.516000 -10.028000 -5.229000 -9.123000 -5.449000 0.452000 -15.911000 -10.967000 -4.046000 -8.903000 -6.326000 0.318000 -14.457000 -11.258000 -5.698000 -18.143000 -2.352000 -4.868000 -18.648000 -3.482000 -6.779000 -21.596000 -10.127000 -7.300000 -20.575000 -11.078000 -10.946000 -18.046000 -11.584000 -10.270000 -11.830000 -7.099000 -12.324000 -14.447000 -9.744000 -12.546000 -14.402000 -12.579000 -10.759000 -15.629000 -14.036000 -9.853000 -16.688000 -13.284000 -11.087000 -11.955000 -13.379000 -10.349000 -12.733000 -14.545000 -10.400000 -10.906000 -11.576000 -9.051000 -8.980000 -13.127000 -7.513000 -9.201000 -11.329000 -6.035000 -8.907000 -11.818000 -5.150000 -10.059000 -13.875000 -6.059000 -11.099000 -14.648000 -3.946000 -9.490000 -8.483000 -4.111000 -12.186000 -7.780000 -2.774000 -14.050000 -11.576000 -2.370000 -13.266000 -7.560000 -1.714000 -14.583000 -8.146000 -4.000000 -16.270000 -6.991000 -3.666000 -17.185000 -8.240000 -6.612000 -18.811000 -5.825000 -6.016000 -16.062000 -6.191000 -15.592000 -11.410000 -8.403000 -8.287000 -18.587000 -10.299000 -9.061000 -17.453000 -6.911000 -9.743000 -18.208000 -8.125000 -9.882000 -15.674000 -8.035000 -8.538000 -15.033000 -7.496000 -15.719000 -11.704000 -10.826000 -2.798000 -11.548000 -10.176000 -10.440000 -18.211000 -10.118000 -10.857000 -13.037000 -7.892000 -16.125000 -12.016000 0.332000 -11.704000 -13.279000 -10.571000 -12.871000 -15.629000 -11.673000 -11.426000 -16.870000 -13.312000 -11.360000 -13.500000 -13.597000 -13.006000 -12.148000 -7.546000 -9.771000 -9.571000 -11.070000 -10.087000 -9.897000 -13.848000 -7.268000 -8.400000 -12.674000 -6.409000 -9.556000 -14.694000 -5.123000 -10.289000 -9.121000 -2.821000 -11.321000 -7.924000 -12.141000 -9.849000 -6.734000 -1.540000 -13.237000 -11.079000 -1.133000 -13.164000 -8.544000 -2.796000 -15.893000 -7.950000 -5.206000 -18.166000 -5.630000 -7.489000 -16.573000 -6.172000 -5.870000 -17.873000 -7.881000 -10.891000 -10.646000 -4.887000 -16.386000 -10.266000 -9.104000 -14.530000 -13.169000 -5.532000 -6.813000 -18.077000 -10.286000 -8.599000 -18.919000 -7.293000 -9.281000 -14.389000 -8.738000 -11.660000 -12.543000 -3.897000 -14.855000 -10.417000 -10.990000 -8.601000 -16.921000 -11.054000 -10.928000 -15.858000 -9.930000 -8.498000 -11.046000 -14.284000 -4.693000 -10.619000 -11.444000 -8.579000 -12.771000 -9.264000 -7.337000 -12.682000 -8.403000 !entry.BQ1.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 0 0 0 0 0 0 !entry.BQ1.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "BQ1" 414 174 1 "?" 0 !entry.BQ1.unit.residuesPdbSequenceNumber array int 1 !entry.BQ1.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.BQ1.unit.velocities table dbl x dbl y dbl z 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 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