!!index array str "TFL" !entry.TFL.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "N" "N" 0 1 131072 1 7 -0.425113 "H" "H" 0 1 131072 2 1 0.276219 "CA" "CT" 0 1 131072 3 6 -0.044238 "HA" "H1" 0 1 131072 4 1 0.088448 "CB" "CT" 0 1 131072 5 6 -0.011332 "HB2" "HC" 0 1 131072 6 1 0.052057 "HB3" "HC" 0 1 131072 7 1 0.052057 "CG" "CT" 0 1 131072 8 6 0.076662 "HG" "HC" 0 1 131072 9 1 0.057273 "CD1" "CT" 0 1 131072 10 6 0.243988 "F11" "F" 0 1 131072 11 9 -0.128643 "F12" "F" 0 1 131072 12 9 -0.128643 "F13" "F" 0 1 131072 13 9 -0.128643 "CD2" "CT" 0 1 131072 14 6 -0.216456 "HD21" "HC" 0 1 131072 15 1 0.068209 "HD22" "HC" 0 1 131072 16 1 0.068209 "HD23" "HC" 0 1 131072 17 1 0.068209 "C" "C" 0 1 131072 18 6 0.589061 "O" "O" 0 1 131072 19 8 -0.557324 !entry.TFL.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "N" "N" 0 -1 0.0 "H" "H" 0 -1 0.0 "CA" "CT" 0 -1 0.0 "HA" "H1" 0 -1 0.0 "CB" "CT" 0 -1 0.0 "HB2" "HC" 0 -1 0.0 "HB3" "HC" 0 -1 0.0 "CG" "CT" 0 -1 0.0 "HG" "HC" 0 -1 0.0 "CD1" "CT" 0 -1 0.0 "F11" "F" 0 -1 0.0 "F12" "F" 0 -1 0.0 "F13" "F" 0 -1 0.0 "CD2" "CT" 0 -1 0.0 "HD21" "HC" 0 -1 0.0 "HD22" "HC" 0 -1 0.0 "HD23" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 !entry.TFL.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.TFL.unit.childsequence single int 2 !entry.TFL.unit.connect array int 1 18 !entry.TFL.unit.connectivity table int atom1x int atom2x int flags 1 2 1 1 3 1 3 4 1 3 5 1 3 18 1 5 6 1 5 7 1 5 8 1 8 9 1 8 10 1 8 14 1 10 11 1 10 12 1 10 13 1 14 15 1 14 16 1 14 17 1 18 19 1 !entry.TFL.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 !entry.TFL.unit.name single str "THF" !entry.TFL.unit.positions table dbl x dbl y dbl z 2.242217 -0.137068 0.262558 2.726392 0.455391 0.898857 0.863750 0.201323 -0.009786 0.656093 -0.062742 -1.034066 -0.067351 -0.579140 0.942993 0.127694 -1.632869 0.783884 0.247698 -0.343936 1.953599 -1.583802 -0.324180 0.867278 -1.786631 0.740788 0.900735 -2.201713 -0.810628 -0.427807 -2.025917 -2.105640 -0.618734 -3.506409 -0.580614 -0.458980 -1.691863 -0.189849 -1.494732 -2.288220 -0.991718 2.056005 -1.908221 -0.579008 2.982865 -3.357630 -0.825509 2.028280 -2.108456 -2.060949 2.064139 0.736919 1.708762 0.200606 1.334956 2.255167 1.093446 !entry.TFL.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 1 18 0 0 0 0 !entry.TFL.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "TFL" 1 20 1 "p" 0 !entry.TFL.unit.residuesPdbSequenceNumber array int 0 !entry.TFL.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.TFL.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