!!index array str "te8" !entry.te8.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "C1" "c3" 0 1 196608 1 6 -0.091200 "H1" "h1" 0 1 196608 2 1 0.101800 "H2" "h1" 0 1 196608 3 1 0.101800 "C2" "c3" 0 1 196608 4 6 -0.091200 "H3" "h1" 0 1 196608 5 1 0.101800 "H4" "h1" 0 1 196608 6 1 0.101800 "N1" "n3" 0 1 196608 7 7 -0.270400 "N2" "n3" 0 1 196608 8 7 -0.270400 "C3" "c3" 0 1 196608 9 6 -0.049400 "H5" "h1" 0 1 196608 10 1 0.099400 "H6" "h1" 0 1 196608 11 1 0.099400 "C4" "c3" 0 1 196608 12 6 -0.181000 "H7" "hc" 0 1 196608 13 1 0.125300 "H8" "hc" 0 1 196608 14 1 0.125300 "C5" "c" 0 1 196608 15 6 0.319200 "O1" "o" 0 1 196608 16 8 -0.357900 "N3" "n" 0 1 196608 17 7 -0.363300 "H9" "hn" 0 1 196608 18 1 0.234200 "C6" "c3" 0 1 196608 19 6 -0.039100 "H10" "h1" 0 1 196608 20 1 0.114000 "H11" "h1" 0 1 196608 21 1 0.114000 "C7" "c3" 0 1 196608 22 6 -0.073500 "H12" "h1" 0 1 196608 23 1 0.100300 "H13" "h1" 0 1 196608 24 1 0.100300 "N4" "n3" 0 1 196608 25 7 -0.288200 "C8" "c3" 0 1 196608 26 6 -0.049400 "H14" "h1" 0 1 196608 27 1 0.099400 "H15" "h1" 0 1 196608 28 1 0.099400 "C9" "c3" 0 1 196608 29 6 -0.181000 "H16" "hc" 0 1 196608 30 1 0.125300 "H17" "hc" 0 1 196608 31 1 0.125300 "C10" "c" 0 1 196608 32 6 0.319200 "O2" "o" 0 1 196608 33 8 -0.357900 "N5" "n" 0 1 196608 34 7 -0.363300 "H18" "hn" 0 1 196608 35 1 0.234200 "C11" "c3" 0 1 196608 36 6 -0.039100 "H19" "h1" 0 1 196608 37 1 0.114000 "H20" "h1" 0 1 196608 38 1 0.114000 "C12" "c3" 0 1 196608 39 6 -0.073500 "H21" "h1" 0 1 196608 40 1 0.100300 "H22" "h1" 0 1 196608 41 1 0.100300 "N6" "n3" 0 1 196608 42 7 -0.288200 "C13" "c3" 0 1 196608 43 6 -0.049400 "H23" "h1" 0 1 196608 44 1 0.099400 "H24" "h1" 0 1 196608 45 1 0.099400 "C14" "c3" 0 1 196608 46 6 -0.181000 "H25" "hc" 0 1 196608 47 1 0.125300 "H26" "hc" 0 1 196608 48 1 0.125300 "C15" "c" 0 1 196608 49 6 0.319200 "O3" "o" 0 1 196608 50 8 -0.357900 "N7" "n" 0 1 196608 51 7 -0.363300 "H27" "hn" 0 1 196608 52 1 0.234200 "C16" "c3" 0 1 196608 53 6 -0.039100 "H28" "h1" 0 1 196608 54 1 0.114000 "H29" "h1" 0 1 196608 55 1 0.114000 "C17" "c3" 0 1 196608 56 6 -0.073500 "H30" "h1" 0 1 196608 57 1 0.100300 "H31" "h1" 0 1 196608 58 1 0.100300 "N8" "n3" 0 1 196608 59 7 -0.288200 "C18" "c3" 0 1 196608 60 6 -0.049400 "H32" "h1" 0 1 196608 61 1 0.099400 "H33" "h1" 0 1 196608 62 1 0.099400 "C19" "c3" 0 1 196608 63 6 -0.181000 "H34" "hc" 0 1 196608 64 1 0.125300 "H35" "hc" 0 1 196608 65 1 0.125300 "C20" "c" 0 1 196608 66 6 0.319200 "O4" "o" 0 1 196608 67 8 -0.357900 "N9" "n" 0 1 196608 68 7 -0.363300 "H36" "hn" 0 1 196608 69 1 0.234200 "C21" "c3" 0 1 196608 70 6 -0.039100 "H37" "h1" 0 1 196608 71 1 0.114000 "H38" "h1" 0 1 196608 72 1 0.114000 "C22" "c3" 0 1 196608 73 6 -0.073500 "H39" "h1" 0 1 196608 74 1 0.100300 "H40" "h1" 0 1 196608 75 1 0.100300 "N10" "n3" 0 1 196608 76 7 -0.288200 "C1" "c3" 0 2 196608 1 6 -0.054000 "H2" "h1" 0 2 196608 2 1 0.080000 "H3" "h1" 0 2 196608 3 1 0.080000 "C2" "c3" 0 2 196608 4 6 -0.200600 "H4" "hc" 0 2 196608 5 1 0.102000 "H5" "hc" 0 2 196608 6 1 0.102000 "C3" "c" 0 2 196608 7 6 0.300000 "O1" "o" 0 2 196608 8 8 -0.380400 "N1" "n" 0 2 196608 9 7 -0.381100 "H6" "hn" 0 2 196608 10 1 0.223500 "C4" "c3" 0 2 196608 11 6 -0.051600 "H7" "h1" 0 2 196608 12 1 0.095000 "H8" "h1" 0 2 196608 13 1 0.095000 "C5" "c3" 0 2 196608 14 6 -0.098800 "H9" "h1" 0 2 196608 15 1 0.078500 "H10" "h1" 0 2 196608 16 1 0.078500 "N2" "n3" 0 2 196608 17 7 -0.352000 "H11" "hn" 0 2 196608 18 1 0.142000 "H12" "hn" 0 2 196608 19 1 0.142000 "C1" "c3" 0 3 196608 1 6 -0.054000 "H2" "h1" 0 3 196608 2 1 0.080000 "H3" "h1" 0 3 196608 3 1 0.080000 "C2" "c3" 0 3 196608 4 6 -0.200600 "H4" "hc" 0 3 196608 5 1 0.102000 "H5" "hc" 0 3 196608 6 1 0.102000 "C3" "c" 0 3 196608 7 6 0.300000 "O1" "o" 0 3 196608 8 8 -0.380400 "N1" "n" 0 3 196608 9 7 -0.381100 "H6" "hn" 0 3 196608 10 1 0.223500 "C4" "c3" 0 3 196608 11 6 -0.051600 "H7" "h1" 0 3 196608 12 1 0.095000 "H8" "h1" 0 3 196608 13 1 0.095000 "C5" "c3" 0 3 196608 14 6 -0.098800 "H9" "h1" 0 3 196608 15 1 0.078500 "H10" "h1" 0 3 196608 16 1 0.078500 "N2" "n3" 0 3 196608 17 7 -0.352000 "H11" "hn" 0 3 196608 18 1 0.142000 "H12" "hn" 0 3 196608 19 1 0.142000 "C1" "c3" 0 4 196608 1 6 -0.054000 "H2" "h1" 0 4 196608 2 1 0.080000 "H3" "h1" 0 4 196608 3 1 0.080000 "C2" "c3" 0 4 196608 4 6 -0.200600 "H4" "hc" 0 4 196608 5 1 0.102000 "H5" "hc" 0 4 196608 6 1 0.102000 "C3" "c" 0 4 196608 7 6 0.300000 "O1" "o" 0 4 196608 8 8 -0.380400 "N1" "n" 0 4 196608 9 7 -0.381100 "H6" "hn" 0 4 196608 10 1 0.223500 "C4" "c3" 0 4 196608 11 6 -0.051600 "H7" "h1" 0 4 196608 12 1 0.095000 "H8" "h1" 0 4 196608 13 1 0.095000 "C5" "c3" 0 4 196608 14 6 -0.098800 "H9" "h1" 0 4 196608 15 1 0.078500 "H10" "h1" 0 4 196608 16 1 0.078500 "N2" "n3" 0 4 196608 17 7 -0.352000 "H11" "hn" 0 4 196608 18 1 0.142000 "H12" "hn" 0 4 196608 19 1 0.142000 "C1" "c3" 0 5 196608 1 6 -0.054000 "H2" "h1" 0 5 196608 2 1 0.080000 "H3" "h1" 0 5 196608 3 1 0.080000 "C2" "c3" 0 5 196608 4 6 -0.200600 "H4" "hc" 0 5 196608 5 1 0.102000 "H5" "hc" 0 5 196608 6 1 0.102000 "C3" "c" 0 5 196608 7 6 0.300000 "O1" "o" 0 5 196608 8 8 -0.380400 "N1" "n" 0 5 196608 9 7 -0.381100 "H6" "hn" 0 5 196608 10 1 0.223500 "C4" "c3" 0 5 196608 11 6 -0.051600 "H7" "h1" 0 5 196608 12 1 0.095000 "H8" "h1" 0 5 196608 13 1 0.095000 "C5" "c3" 0 5 196608 14 6 -0.098800 "H9" "h1" 0 5 196608 15 1 0.078500 "H10" "h1" 0 5 196608 16 1 0.078500 "N2" "n3" 0 5 196608 17 7 -0.352000 "H11" "hn" 0 5 196608 18 1 0.142000 "H12" "hn" 0 5 196608 19 1 0.142000 "C1" "c3" 0 6 196608 1 6 -0.054000 "H2" "h1" 0 6 196608 2 1 0.080000 "H3" "h1" 0 6 196608 3 1 0.080000 "C2" "c3" 0 6 196608 4 6 -0.200600 "H4" "hc" 0 6 196608 5 1 0.102000 "H5" "hc" 0 6 196608 6 1 0.102000 "C3" "c" 0 6 196608 7 6 0.300000 "O1" "o" 0 6 196608 8 8 -0.380400 "N1" "n" 0 6 196608 9 7 -0.381100 "H6" "hn" 0 6 196608 10 1 0.223500 "C4" "c3" 0 6 196608 11 6 -0.051600 "H7" "h1" 0 6 196608 12 1 0.095000 "H8" "h1" 0 6 196608 13 1 0.095000 "C5" "c3" 0 6 196608 14 6 -0.098800 "H9" "h1" 0 6 196608 15 1 0.078500 "H10" "h1" 0 6 196608 16 1 0.078500 "N2" "n3" 0 6 196608 17 7 -0.352000 "H11" "hn" 0 6 196608 18 1 0.142000 "H12" "hn" 0 6 196608 19 1 0.142000 "C1" "c3" 0 7 196608 1 6 -0.054000 "H2" "h1" 0 7 196608 2 1 0.080000 "H3" "h1" 0 7 196608 3 1 0.080000 "C2" "c3" 0 7 196608 4 6 -0.200600 "H4" "hc" 0 7 196608 5 1 0.102000 "H5" "hc" 0 7 196608 6 1 0.102000 "C3" "c" 0 7 196608 7 6 0.300000 "O1" "o" 0 7 196608 8 8 -0.380400 "N1" "n" 0 7 196608 9 7 -0.381100 "H6" "hn" 0 7 196608 10 1 0.223500 "C4" "c3" 0 7 196608 11 6 -0.051600 "H7" "h1" 0 7 196608 12 1 0.095000 "H8" "h1" 0 7 196608 13 1 0.095000 "C5" "c3" 0 7 196608 14 6 -0.098800 "H9" "h1" 0 7 196608 15 1 0.078500 "H10" "h1" 0 7 196608 16 1 0.078500 "N2" "n3" 0 7 196608 17 7 -0.352000 "H11" "hn" 0 7 196608 18 1 0.142000 "H12" "hn" 0 7 196608 19 1 0.142000 "C1" "c3" 0 8 196608 1 6 -0.054000 "H2" "h1" 0 8 196608 2 1 0.080000 "H3" "h1" 0 8 196608 3 1 0.080000 "C2" "c3" 0 8 196608 4 6 -0.200600 "H4" "hc" 0 8 196608 5 1 0.102000 "H5" "hc" 0 8 196608 6 1 0.102000 "C3" "c" 0 8 196608 7 6 0.300000 "O1" "o" 0 8 196608 8 8 -0.380400 "N1" "n" 0 8 196608 9 7 -0.381100 "H6" "hn" 0 8 196608 10 1 0.223500 "C4" "c3" 0 8 196608 11 6 -0.051600 "H7" "h1" 0 8 196608 12 1 0.095000 "H8" "h1" 0 8 196608 13 1 0.095000 "C5" "c3" 0 8 196608 14 6 -0.098800 "H9" "h1" 0 8 196608 15 1 0.078500 "H10" "h1" 0 8 196608 16 1 0.078500 "N2" "n3" 0 8 196608 17 7 -0.352000 "H11" "hn" 0 8 196608 18 1 0.142000 "H12" "hn" 0 8 196608 19 1 0.142000 "C1" "c3" 0 9 196608 1 6 -0.054000 "H2" "h1" 0 9 196608 2 1 0.080000 "H3" "h1" 0 9 196608 3 1 0.080000 "C2" "c3" 0 9 196608 4 6 -0.200600 "H4" "hc" 0 9 196608 5 1 0.102000 "H5" "hc" 0 9 196608 6 1 0.102000 "C3" "c" 0 9 196608 7 6 0.300000 "O1" "o" 0 9 196608 8 8 -0.380400 "N1" "n" 0 9 196608 9 7 -0.381100 "H6" "hn" 0 9 196608 10 1 0.223500 "C4" "c3" 0 9 196608 11 6 -0.051600 "H7" "h1" 0 9 196608 12 1 0.095000 "H8" "h1" 0 9 196608 13 1 0.095000 "C5" "c3" 0 9 196608 14 6 -0.098800 "H9" "h1" 0 9 196608 15 1 0.078500 "H10" "h1" 0 9 196608 16 1 0.078500 "N2" "n3" 0 9 196608 17 7 -0.352000 "H11" "hn" 0 9 196608 18 1 0.142000 "H12" "hn" 0 9 196608 19 1 0.142000 !entry.te8.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "C1" "c3" 0 -1 0.0 "H1" "h1" 0 -1 0.0 "H2" "h1" 0 -1 0.0 "C2" "c3" 0 -1 0.0 "H3" "h1" 0 -1 0.0 "H4" "h1" 0 -1 0.0 "N1" "n3" 0 -1 0.0 "N2" "n3" 0 -1 0.0 "C3" "c3" 0 -1 0.0 "H5" "h1" 0 -1 0.0 "H6" "h1" 0 -1 0.0 "C4" "c3" 0 -1 0.0 "H7" "hc" 0 -1 0.0 "H8" "hc" 0 -1 0.0 "C5" "c" 0 -1 0.0 "O1" "o" 0 -1 0.0 "N3" "n" 0 -1 0.0 "H9" "hn" 0 -1 0.0 "C6" "c3" 0 -1 0.0 "H10" "h1" 0 -1 0.0 "H11" "h1" 0 -1 0.0 "C7" "c3" 0 -1 0.0 "H12" "h1" 0 -1 0.0 "H13" "h1" 0 -1 0.0 "N4" "n3" 0 -1 0.0 "C8" "c3" 0 -1 0.0 "H14" "h1" 0 -1 0.0 "H15" "h1" 0 -1 0.0 "C9" "c3" 0 -1 0.0 "H16" "hc" 0 -1 0.0 "H17" "hc" 0 -1 0.0 "C10" "c" 0 -1 0.0 "O2" "o" 0 -1 0.0 "N5" "n" 0 -1 0.0 "H18" "hn" 0 -1 0.0 "C11" "c3" 0 -1 0.0 "H19" "h1" 0 -1 0.0 "H20" "h1" 0 -1 0.0 "C12" "c3" 0 -1 0.0 "H21" "h1" 0 -1 0.0 "H22" "h1" 0 -1 0.0 "N6" "n3" 0 -1 0.0 "C13" "c3" 0 -1 0.0 "H23" "h1" 0 -1 0.0 "H24" "h1" 0 -1 0.0 "C14" "c3" 0 -1 0.0 "H25" "hc" 0 -1 0.0 "H26" "hc" 0 -1 0.0 "C15" "c" 0 -1 0.0 "O3" "o" 0 -1 0.0 "N7" "n" 0 -1 0.0 "H27" "hn" 0 -1 0.0 "C16" "c3" 0 -1 0.0 "H28" "h1" 0 -1 0.0 "H29" "h1" 0 -1 0.0 "C17" "c3" 0 -1 0.0 "H30" "h1" 0 -1 0.0 "H31" "h1" 0 -1 0.0 "N8" "n3" 0 -1 0.0 "C18" "c3" 0 -1 0.0 "H32" "h1" 0 -1 0.0 "H33" "h1" 0 -1 0.0 "C19" "c3" 0 -1 0.0 "H34" "hc" 0 -1 0.0 "H35" "hc" 0 -1 0.0 "C20" "c" 0 -1 0.0 "O4" "o" 0 -1 0.0 "N9" "n" 0 -1 0.0 "H36" "hn" 0 -1 0.0 "C21" "c3" 0 -1 0.0 "H37" "h1" 0 -1 0.0 "H38" "h1" 0 -1 0.0 "C22" "c3" 0 -1 0.0 "H39" "h1" 0 -1 0.0 "H40" "h1" 0 -1 0.0 "N10" "n3" 0 -1 0.0 "C1" "c3" 0 -1 0.0 "H2" "h1" 0 -1 0.0 "H3" "h1" 0 -1 0.0 "C2" "c3" 0 -1 0.0 "H4" "hc" 0 -1 0.0 "H5" "hc" 0 -1 0.0 "C3" "c" 0 -1 0.0 "O1" "o" 0 -1 0.0 "N1" "n" 0 -1 0.0 "H6" "hn" 0 -1 0.0 "C4" "c3" 0 -1 0.0 "H7" "h1" 0 -1 0.0 "H8" "h1" 0 -1 0.0 "C5" "c3" 0 -1 0.0 "H9" "h1" 0 -1 0.0 "H10" "h1" 0 -1 0.0 "N2" "n3" 0 -1 0.0 "H11" "hn" 0 -1 0.0 "H12" "hn" 0 -1 0.0 "C1" "c3" 0 -1 0.0 "H2" "h1" 0 -1 0.0 "H3" "h1" 0 -1 0.0 "C2" "c3" 0 -1 0.0 "H4" "hc" 0 -1 0.0 "H5" "hc" 0 -1 0.0 "C3" "c" 0 -1 0.0 "O1" "o" 0 -1 0.0 "N1" "n" 0 -1 0.0 "H6" "hn" 0 -1 0.0 "C4" "c3" 0 -1 0.0 "H7" "h1" 0 -1 0.0 "H8" "h1" 0 -1 0.0 "C5" "c3" 0 -1 0.0 "H9" "h1" 0 -1 0.0 "H10" "h1" 0 -1 0.0 "N2" "n3" 0 -1 0.0 "H11" "hn" 0 -1 0.0 "H12" "hn" 0 -1 0.0 "C1" "c3" 0 -1 0.0 "H2" "h1" 0 -1 0.0 "H3" "h1" 0 -1 0.0 "C2" "c3" 0 -1 0.0 "H4" "hc" 0 -1 0.0 "H5" "hc" 0 -1 0.0 "C3" "c" 0 -1 0.0 "O1" "o" 0 -1 0.0 "N1" "n" 0 -1 0.0 "H6" "hn" 0 -1 0.0 "C4" "c3" 0 -1 0.0 "H7" "h1" 0 -1 0.0 "H8" "h1" 0 -1 0.0 "C5" "c3" 0 -1 0.0 "H9" "h1" 0 -1 0.0 "H10" "h1" 0 -1 0.0 "N2" "n3" 0 -1 0.0 "H11" "hn" 0 -1 0.0 "H12" "hn" 0 -1 0.0 "C1" "c3" 0 -1 0.0 "H2" "h1" 0 -1 0.0 "H3" "h1" 0 -1 0.0 "C2" "c3" 0 -1 0.0 "H4" "hc" 0 -1 0.0 "H5" "hc" 0 -1 0.0 "C3" "c" 0 -1 0.0 "O1" "o" 0 -1 0.0 "N1" "n" 0 -1 0.0 "H6" "hn" 0 -1 0.0 "C4" "c3" 0 -1 0.0 "H7" "h1" 0 -1 0.0 "H8" "h1" 0 -1 0.0 "C5" "c3" 0 -1 0.0 "H9" "h1" 0 -1 0.0 "H10" "h1" 0 -1 0.0 "N2" "n3" 0 -1 0.0 "H11" "hn" 0 -1 0.0 "H12" "hn" 0 -1 0.0 "C1" "c3" 0 -1 0.0 "H2" "h1" 0 -1 0.0 "H3" "h1" 0 -1 0.0 "C2" "c3" 0 -1 0.0 "H4" "hc" 0 -1 0.0 "H5" "hc" 0 -1 0.0 "C3" "c" 0 -1 0.0 "O1" "o" 0 -1 0.0 "N1" "n" 0 -1 0.0 "H6" "hn" 0 -1 0.0 "C4" "c3" 0 -1 0.0 "H7" "h1" 0 -1 0.0 "H8" "h1" 0 -1 0.0 "C5" "c3" 0 -1 0.0 "H9" "h1" 0 -1 0.0 "H10" "h1" 0 -1 0.0 "N2" "n3" 0 -1 0.0 "H11" "hn" 0 -1 0.0 "H12" "hn" 0 -1 0.0 "C1" "c3" 0 -1 0.0 "H2" "h1" 0 -1 0.0 "H3" "h1" 0 -1 0.0 "C2" "c3" 0 -1 0.0 "H4" "hc" 0 -1 0.0 "H5" "hc" 0 -1 0.0 "C3" "c" 0 -1 0.0 "O1" "o" 0 -1 0.0 "N1" "n" 0 -1 0.0 "H6" "hn" 0 -1 0.0 "C4" "c3" 0 -1 0.0 "H7" "h1" 0 -1 0.0 "H8" "h1" 0 -1 0.0 "C5" "c3" 0 -1 0.0 "H9" "h1" 0 -1 0.0 "H10" "h1" 0 -1 0.0 "N2" "n3" 0 -1 0.0 "H11" "hn" 0 -1 0.0 "H12" "hn" 0 -1 0.0 "C1" "c3" 0 -1 0.0 "H2" "h1" 0 -1 0.0 "H3" "h1" 0 -1 0.0 "C2" "c3" 0 -1 0.0 "H4" "hc" 0 -1 0.0 "H5" "hc" 0 -1 0.0 "C3" "c" 0 -1 0.0 "O1" "o" 0 -1 0.0 "N1" "n" 0 -1 0.0 "H6" "hn" 0 -1 0.0 "C4" "c3" 0 -1 0.0 "H7" "h1" 0 -1 0.0 "H8" "h1" 0 -1 0.0 "C5" "c3" 0 -1 0.0 "H9" "h1" 0 -1 0.0 "H10" "h1" 0 -1 0.0 "N2" "n3" 0 -1 0.0 "H11" "hn" 0 -1 0.0 "H12" "hn" 0 -1 0.0 "C1" "c3" 0 -1 0.0 "H2" "h1" 0 -1 0.0 "H3" "h1" 0 -1 0.0 "C2" "c3" 0 -1 0.0 "H4" "hc" 0 -1 0.0 "H5" "hc" 0 -1 0.0 "C3" "c" 0 -1 0.0 "O1" "o" 0 -1 0.0 "N1" "n" 0 -1 0.0 "H6" "hn" 0 -1 0.0 "C4" "c3" 0 -1 0.0 "H7" "h1" 0 -1 0.0 "H8" "h1" 0 -1 0.0 "C5" "c3" 0 -1 0.0 "H9" "h1" 0 -1 0.0 "H10" "h1" 0 -1 0.0 "N2" "n3" 0 -1 0.0 "H11" "hn" 0 -1 0.0 "H12" "hn" 0 -1 0.0 !entry.te8.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.te8.unit.childsequence single int 10 !entry.te8.unit.connect array int 0 0 !entry.te8.unit.connectivity table int atom1x int atom2x int flags 192 191 1 193 191 1 194 191 1 195 194 1 196 194 1 197 194 1 198 197 1 199 197 1 200 199 1 201 199 1 202 201 1 203 201 1 204 201 1 205 204 1 206 204 1 207 204 1 208 207 1 209 207 1 154 153 1 155 153 1 156 153 1 157 156 1 158 156 1 159 156 1 160 159 1 161 159 1 162 161 1 163 161 1 164 163 1 165 163 1 166 163 1 167 166 1 168 166 1 169 166 1 170 169 1 171 169 1 116 115 1 117 115 1 118 115 1 119 118 1 120 118 1 121 118 1 122 121 1 123 121 1 124 123 1 125 123 1 126 125 1 127 125 1 128 125 1 129 128 1 130 128 1 131 128 1 132 131 1 133 131 1 78 77 1 79 77 1 80 77 1 81 80 1 82 80 1 83 80 1 84 83 1 85 83 1 86 85 1 87 85 1 88 87 1 89 87 1 90 87 1 91 90 1 92 90 1 93 90 1 94 93 1 95 93 1 2 1 1 3 1 1 4 1 1 5 4 1 6 4 1 7 4 1 8 1 1 9 7 1 10 9 1 11 9 1 12 9 1 13 12 1 14 12 1 15 12 1 16 15 1 17 15 1 18 17 1 19 17 1 20 19 1 21 19 1 22 19 1 23 22 1 24 22 1 25 22 1 25 77 1 25 77 1 26 7 1 27 26 1 28 26 1 29 26 1 30 29 1 31 29 1 32 29 1 33 32 1 34 32 1 35 34 1 36 34 1 37 36 1 38 36 1 39 36 1 40 39 1 41 39 1 42 39 1 42 115 1 42 115 1 43 8 1 44 43 1 45 43 1 46 43 1 47 46 1 48 46 1 49 46 1 50 49 1 51 49 1 52 51 1 53 51 1 54 53 1 55 53 1 56 53 1 57 56 1 58 56 1 59 56 1 59 153 1 59 153 1 60 8 1 61 60 1 62 60 1 63 60 1 64 63 1 65 63 1 66 63 1 67 66 1 68 66 1 69 68 1 70 68 1 71 70 1 72 70 1 73 70 1 74 73 1 75 73 1 76 73 1 76 191 1 76 210 1 76 191 1 76 210 1 112 113 1 112 114 1 109 110 1 109 111 1 109 112 1 106 107 1 106 108 1 106 109 1 104 105 1 104 106 1 102 103 1 102 104 1 99 100 1 99 101 1 99 102 1 96 97 1 96 98 1 96 99 1 96 25 1 96 25 1 150 151 1 150 152 1 147 148 1 147 149 1 147 150 1 144 145 1 144 146 1 144 147 1 142 143 1 142 144 1 140 141 1 140 142 1 137 138 1 137 139 1 137 140 1 134 135 1 134 136 1 134 137 1 134 42 1 134 42 1 188 189 1 188 190 1 185 186 1 185 187 1 185 188 1 182 183 1 182 184 1 182 185 1 180 181 1 180 182 1 178 179 1 178 180 1 175 176 1 175 177 1 175 178 1 172 173 1 172 174 1 172 175 1 172 59 1 172 59 1 226 227 1 226 228 1 223 224 1 223 225 1 223 226 1 220 221 1 220 222 1 220 223 1 218 219 1 218 220 1 216 217 1 216 218 1 213 214 1 213 215 1 213 216 1 210 211 1 210 212 1 210 213 1 !entry.te8.unit.hierarchy table str abovetype int abovex str belowtype int belowx "U" 0 "R" 8 "R" 8 "A" 191 "R" 8 "A" 192 "R" 8 "A" 193 "R" 8 "A" 194 "R" 8 "A" 195 "R" 8 "A" 196 "R" 8 "A" 197 "R" 8 "A" 198 "R" 8 "A" 199 "R" 8 "A" 200 "R" 8 "A" 201 "R" 8 "A" 202 "R" 8 "A" 203 "R" 8 "A" 204 "R" 8 "A" 205 "R" 8 "A" 206 "R" 8 "A" 207 "R" 8 "A" 208 "R" 8 "A" 209 "U" 0 "R" 6 "R" 6 "A" 153 "R" 6 "A" 154 "R" 6 "A" 155 "R" 6 "A" 156 "R" 6 "A" 157 "R" 6 "A" 158 "R" 6 "A" 159 "R" 6 "A" 160 "R" 6 "A" 161 "R" 6 "A" 162 "R" 6 "A" 163 "R" 6 "A" 164 "R" 6 "A" 165 "R" 6 "A" 166 "R" 6 "A" 167 "R" 6 "A" 168 "R" 6 "A" 169 "R" 6 "A" 170 "R" 6 "A" 171 "U" 0 "R" 4 "R" 4 "A" 115 "R" 4 "A" 116 "R" 4 "A" 117 "R" 4 "A" 118 "R" 4 "A" 119 "R" 4 "A" 120 "R" 4 "A" 121 "R" 4 "A" 122 "R" 4 "A" 123 "R" 4 "A" 124 "R" 4 "A" 125 "R" 4 "A" 126 "R" 4 "A" 127 "R" 4 "A" 128 "R" 4 "A" 129 "R" 4 "A" 130 "R" 4 "A" 131 "R" 4 "A" 132 "R" 4 "A" 133 "U" 0 "R" 2 "R" 2 "A" 77 "R" 2 "A" 78 "R" 2 "A" 79 "R" 2 "A" 80 "R" 2 "A" 81 "R" 2 "A" 82 "R" 2 "A" 83 "R" 2 "A" 84 "R" 2 "A" 85 "R" 2 "A" 86 "R" 2 "A" 87 "R" 2 "A" 88 "R" 2 "A" 89 "R" 2 "A" 90 "R" 2 "A" 91 "R" 2 "A" 92 "R" 2 "A" 93 "R" 2 "A" 94 "R" 2 "A" 95 "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 "U" 0 "R" 3 "R" 3 "A" 114 "R" 3 "A" 113 "R" 3 "A" 112 "R" 3 "A" 111 "R" 3 "A" 110 "R" 3 "A" 109 "R" 3 "A" 108 "R" 3 "A" 107 "R" 3 "A" 106 "R" 3 "A" 105 "R" 3 "A" 104 "R" 3 "A" 103 "R" 3 "A" 102 "R" 3 "A" 101 "R" 3 "A" 100 "R" 3 "A" 99 "R" 3 "A" 98 "R" 3 "A" 97 "R" 3 "A" 96 "U" 0 "R" 5 "R" 5 "A" 152 "R" 5 "A" 151 "R" 5 "A" 150 "R" 5 "A" 149 "R" 5 "A" 148 "R" 5 "A" 147 "R" 5 "A" 146 "R" 5 "A" 145 "R" 5 "A" 144 "R" 5 "A" 143 "R" 5 "A" 142 "R" 5 "A" 141 "R" 5 "A" 140 "R" 5 "A" 139 "R" 5 "A" 138 "R" 5 "A" 137 "R" 5 "A" 136 "R" 5 "A" 135 "R" 5 "A" 134 "U" 0 "R" 7 "R" 7 "A" 190 "R" 7 "A" 189 "R" 7 "A" 188 "R" 7 "A" 187 "R" 7 "A" 186 "R" 7 "A" 185 "R" 7 "A" 184 "R" 7 "A" 183 "R" 7 "A" 182 "R" 7 "A" 181 "R" 7 "A" 180 "R" 7 "A" 179 "R" 7 "A" 178 "R" 7 "A" 177 "R" 7 "A" 176 "R" 7 "A" 175 "R" 7 "A" 174 "R" 7 "A" 173 "R" 7 "A" 172 "U" 0 "R" 9 "R" 9 "A" 228 "R" 9 "A" 227 "R" 9 "A" 226 "R" 9 "A" 225 "R" 9 "A" 224 "R" 9 "A" 223 "R" 9 "A" 222 "R" 9 "A" 221 "R" 9 "A" 220 "R" 9 "A" 219 "R" 9 "A" 218 "R" 9 "A" 217 "R" 9 "A" 216 "R" 9 "A" 215 "R" 9 "A" 214 "R" 9 "A" 213 "R" 9 "A" 212 "R" 9 "A" 211 "R" 9 "A" 210 !entry.te8.unit.name single str "" !entry.te8.unit.positions table dbl x dbl y dbl z 4.329630 1.936390 -7.328982 5.101240 2.114248 -8.078074 4.777677 1.992734 -6.336864 3.716692 0.548633 -7.534012 3.096592 0.545479 -8.430389 3.096065 0.300540 -6.672908 4.767194 -0.468795 -7.682378 3.298480 2.975517 -7.457904 5.731875 -0.423247 -6.574261 6.206604 0.557667 -6.551653 5.200101 -0.582840 -5.636376 6.798615 -1.504640 -6.752034 7.449192 -1.523815 -5.878877 7.402474 -1.291046 -7.632764 6.149261 -2.856892 -6.918876 5.073707 -3.037999 -7.549860 6.759064 -3.871454 -6.270931 7.609304 -3.681478 -5.759660 6.246330 -5.236757 -6.322956 7.046808 -5.918603 -6.609916 5.871417 -5.518750 -5.338811 5.111596 -5.306052 -7.347234 5.499445 -5.092630 -8.343494 4.354444 -4.563594 -7.094497 4.487238 -6.636039 -7.344484 5.428817 -0.373170 -8.991437 5.898058 0.606933 -9.075667 6.196829 -1.142957 -9.065516 4.408523 -0.551657 -10.119269 4.874256 -0.326906 -11.077585 3.576493 0.134713 -9.968890 3.883364 -1.968933 -10.154629 4.602369 -2.982928 -9.949584 2.557695 -2.084821 -10.386019 2.020632 -1.242914 -10.536357 1.891732 -3.379050 -10.517828 1.267726 -3.553358 -9.641125 1.262090 -3.376720 -11.407835 2.941408 -4.487655 -10.627982 3.599432 -4.466769 -9.759433 3.536135 -4.325098 -11.526751 2.301290 -5.809373 -10.715496 2.839658 3.089414 -8.848358 3.695218 3.320033 -9.483083 2.413432 2.136616 -9.161627 1.787849 4.190334 -8.989274 2.196594 5.135921 -8.635643 0.911260 3.937121 -8.394665 1.383497 4.337867 -10.435850 1.939558 5.134579 -11.238184 0.408193 3.497598 -10.841465 0.012398 2.857865 -10.167461 -0.034336 3.426069 -12.230321 0.794038 3.691834 -12.887608 -0.354950 2.408829 -12.455710 -1.198104 4.394894 -12.447045 -0.878214 5.413446 -12.228051 -2.018238 4.127674 -11.780630 -1.673540 4.323746 -13.835093 2.178310 2.746283 -6.533564 1.423459 3.517456 -6.686440 1.739068 1.772338 -6.748616 2.659807 2.784776 -5.082422 3.488990 2.091018 -4.951231 1.845868 2.494986 -4.419317 3.109602 4.180782 -4.723727 2.335023 5.067187 -4.274849 4.408184 4.448261 -4.978875 4.986259 3.714008 -5.362000 4.977528 5.781258 -4.800937 5.774534 5.935197 -5.528701 4.200499 6.529065 -4.960509 5.537121 5.914601 -3.383392 4.742207 5.753736 -2.655231 5.942812 6.917594 -3.251463 6.609829 4.937712 -3.152385 3.418835 -6.743152 -8.348716 3.828338 -6.529378 -9.336361 2.645577 -6.009812 -8.121127 2.791500 -8.138081 -8.332834 3.532535 -8.879958 -8.624750 1.969608 -8.174024 -9.045920 2.269828 -8.483638 -6.959327 2.924688 -8.302188 -5.898148 1.024543 -9.004084 -6.938912 0.536816 -9.118996 -7.816050 0.376471 -9.444533 -5.706866 0.328025 -10.533115 -5.698400 0.958216 -9.107951 -4.848794 -1.038555 -8.867157 -5.629882 -1.544883 -9.262333 -4.749078 -1.599476 -9.154225 -6.519446 -1.000430 -7.400557 -5.537835 -1.952508 -7.063802 -5.514650 -0.468089 -7.152420 -4.716025 4.025391 -7.019391 -6.002361 3.287555 -6.292019 -5.663372 4.870067 -7.012567 -5.312955 3.372484 -8.402870 -6.021811 2.522329 -8.405091 -6.703391 3.016230 -8.646258 -5.021985 4.360364 -9.459654 -6.453973 5.122891 -9.338880 -7.449692 4.398872 -10.555383 -5.666116 3.779993 -10.595203 -4.868931 5.284364 -11.685857 -5.929446 4.692536 -12.529209 -6.285089 6.008255 -11.410297 -6.696493 6.017855 -12.078756 -4.644854 6.621076 -12.967809 -4.827911 5.292134 -12.298530 -3.861854 6.898638 -10.992578 -4.192070 7.339250 -11.284508 -3.331306 7.557495 -10.794555 -4.931499 3.288278 -6.891785 -10.845109 3.971903 -6.861500 -9.996456 3.857792 -6.741836 -11.762156 2.600597 -8.257336 -10.913197 2.088071 -8.458814 -9.974517 3.349505 -9.032529 -11.068203 1.594502 -8.311283 -12.037693 0.733770 -7.415072 -12.247482 1.673423 -9.409365 -12.819166 2.384881 -10.096207 -12.612653 0.735796 -9.670628 -13.908151 0.062268 -10.475036 -13.613367 0.150698 -8.773340 -14.109327 1.502773 -10.080777 -15.167233 0.795830 -10.357599 -15.949464 2.138907 -10.937747 -14.945400 2.338684 -8.973645 -15.653162 2.842638 -9.296045 -16.467069 1.735171 -8.185995 -15.842320 1.281017 -5.862006 -11.773030 1.755691 -5.654455 -12.732103 0.522952 -5.102167 -11.582572 0.632158 -7.246797 -11.837264 1.388259 -8.003306 -12.045823 -0.105302 -7.262928 -12.638467 -0.057613 -7.579976 -10.535581 0.471457 -7.418964 -9.403411 -1.318900 -8.044989 -10.662761 -1.703650 -8.141709 -11.591607 -2.135069 -8.436269 -9.516722 -2.212969 -9.523074 -9.487104 -1.663518 -8.088278 -8.597567 -3.532750 -7.825410 -9.643236 -4.162151 -8.185746 -8.829801 -3.977419 -8.122482 -10.592952 -3.469911 -6.358320 -9.579918 -4.407045 -5.999158 -9.693760 -3.047136 -6.100616 -8.699634 -2.769804 5.268417 -14.092498 -2.435292 6.281484 -13.866787 -3.608759 5.021033 -13.441974 -3.234599 5.176965 -15.547305 -2.430530 5.490104 -16.211091 -4.084925 5.839432 -15.698855 -3.635724 3.765041 -15.902889 -2.923934 2.754758 -15.659416 -4.833823 3.652166 -16.515085 -5.368181 4.492459 -16.682622 -5.350190 2.376990 -17.004618 -5.269314 2.353574 -18.091072 -4.763029 1.559527 -16.586509 -6.817026 2.221379 -16.597494 -7.224905 1.315357 -17.046148 -7.388469 3.079962 -16.950931 -6.945096 2.126010 -15.136140 -7.927185 2.049878 -14.912211 -6.401407 1.333134 -14.826034 -2.028846 2.950635 -14.220435 -2.827992 2.598023 -13.567710 -1.160834 2.303106 -14.095629 -2.524742 2.901331 -15.666698 -3.402174 3.537822 -15.780385 -2.802129 1.878621 -15.917176 -1.449542 3.362435 -16.621305 -0.783028 4.420124 -16.465789 -1.224923 2.535515 -17.664522 -1.777969 1.693660 -17.737296 -0.248294 2.832378 -18.708125 -0.774113 3.139099 -19.612252 0.400263 3.644888 -18.380331 0.591490 1.586944 -19.001584 1.252509 1.785121 -19.845005 -0.064315 0.753733 -19.253764 1.408416 1.220395 -17.835785 1.924626 0.383043 -18.065599 2.001734 2.006090 -17.609827 7.149188 5.025700 -1.787856 6.343600 4.870302 -1.069722 7.567703 6.020859 -1.637910 8.255738 3.991399 -1.571944 7.840608 2.987612 -1.643756 8.681461 4.118322 -0.578125 9.349454 4.139573 -2.602767 9.134782 4.225819 -3.840949 10.602540 4.171146 -2.100909 10.720814 4.103213 -1.100363 11.789066 4.226832 -2.950380 12.270234 3.249042 -2.954685 11.498322 4.484578 -3.968669 12.764797 5.274595 -2.410122 13.688015 5.244560 -2.989217 12.994033 5.058160 -1.366462 12.187838 6.623167 -2.507132 12.852708 7.276800 -2.118468 11.972073 6.801458 -3.477710 7.666913 5.034878 -4.168992 8.101233 6.034185 -4.130315 7.235145 4.876666 -5.157349 8.773237 4.012283 -3.903496 9.213457 4.187862 -2.922004 9.551100 4.118814 -4.657995 8.228949 2.604924 -3.958908 7.188147 2.233566 -3.354024 8.930402 1.755485 -4.739324 9.750694 2.105285 -5.213221 8.572489 0.348322 -4.890166 9.277008 -0.261895 -4.325073 7.567399 0.183978 -4.501484 8.625494 -0.044299 -6.368507 8.452013 -1.115718 -6.466154 9.607892 0.194003 -6.775959 7.598699 0.673560 -7.137375 7.686903 0.403293 -8.106698 6.697075 0.449775 -6.740695 !entry.te8.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 0 25 0 0 0 0 77 0 0 0 0 0 96 0 0 0 0 0 115 0 0 0 0 0 134 0 0 0 0 0 153 0 0 0 0 0 172 0 0 0 0 0 191 0 0 0 0 0 210 0 0 0 0 0 !entry.te8.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "CEN" 1 77 1 "?" 0 "END" 2 20 77 "?" 0 "END" 3 20 96 "?" 0 "END" 4 20 115 "?" 0 "END" 5 20 134 "?" 0 "END" 6 20 153 "?" 0 "END" 7 20 172 "?" 0 "END" 8 20 191 "?" 0 "END" 9 20 210 "?" 0 !entry.te8.unit.residuesPdbSequenceNumber array int 1 2 3 4 5 6 7 8 9 !entry.te8.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.te8.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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 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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