!!index array str "PM8" !entry.PM8.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "O23" "o" 0 1 131072 1 8 -0.890700 "P24" "p5" 0 1 131072 2 15 1.195200 "O26" "o" 0 1 131072 3 8 -0.890700 "O27" "os" 0 1 131072 4 8 -0.659900 "C28" "c3" 0 1 131072 5 6 0.005200 "C29" "c3" 0 1 131072 6 6 0.334400 "C30" "c3" 0 1 131072 7 6 -0.146500 "C31" "c3" 0 1 131072 8 6 -0.146500 "C32" "c3" 0 1 131072 9 6 0.071800 "O33" "oh" 0 1 131072 10 8 -0.608800 "C34" "c" 0 1 131072 11 6 0.495400 "O35" "o" 0 1 131072 12 8 -0.552500 "N36" "n" 0 1 131072 13 7 -0.522800 "C37" "c3" 0 1 131072 14 6 -0.007800 "C38" "c3" 0 1 131072 15 6 -0.046200 "C39" "c" 0 1 131072 16 6 0.522100 "O40" "o" 0 1 131072 17 8 -0.546400 "N41" "n" 0 1 131072 18 7 -0.521900 "C42" "c3" 0 1 131072 19 6 -0.081000 "C43" "c3" 0 1 131072 20 6 0.174800 "S1" "ss" 0 1 131072 21 16 -0.318400 "C1" "c" 0 1 131072 22 6 0.452800 "O1" "o" 0 1 131072 23 8 -0.436600 "C2" "c3" 0 1 131072 24 6 -0.235400 "C3" "c3" 0 1 131072 25 6 0.019600 "C4" "c3" 0 1 131072 26 6 0.030800 "C5" "c3" 0 1 131072 27 6 0.015200 "C6" "c3" 0 1 131072 28 6 0.006600 "C7" "c3" 0 1 131072 29 6 0.004600 "C8" "c3" 0 1 131072 30 6 0.004200 "C9" "c3" 0 1 131072 31 6 0.031300 "C10" "c3" 0 1 131072 32 6 -0.084000 "O25" "o" 0 1 131072 33 8 -0.890700 "H281" "h1" 0 1 131072 34 1 0.052900 "H282" "h1" 0 1 131072 35 1 0.052900 "H301" "hc" 0 1 131072 36 1 0.027300 "H302" "hc" 0 1 131072 37 1 0.027300 "H303" "hc" 0 1 131072 38 1 0.027300 "H311" "hc" 0 1 131072 39 1 0.027300 "H312" "hc" 0 1 131072 40 1 0.027300 "H313" "hc" 0 1 131072 41 1 0.027300 "H32" "h1" 0 1 131072 42 1 0.053400 "H33" "ho" 0 1 131072 43 1 0.390600 "H36" "hn" 0 1 131072 44 1 0.329300 "H371" "h1" 0 1 131072 45 1 0.083500 "H372" "h1" 0 1 131072 46 1 0.083500 "H381" "hc" 0 1 131072 47 1 0.040500 "H382" "hc" 0 1 131072 48 1 0.040500 "H41" "hn" 0 1 131072 49 1 0.336400 "H421" "h1" 0 1 131072 50 1 0.107000 "H422" "h1" 0 1 131072 51 1 0.107000 "H431" "h1" 0 1 131072 52 1 0.055500 "H432" "h1" 0 1 131072 53 1 0.055500 "H21" "hc" 0 1 131072 54 1 0.109200 "H22" "hc" 0 1 131072 55 1 0.109200 "H31" "hc" 0 1 131072 56 1 0.016800 "H32A" "hc" 0 1 131072 57 1 0.016800 "H41A" "hc" 0 1 131072 58 1 -0.004900 "H42" "hc" 0 1 131072 59 1 -0.004900 "H51" "hc" 0 1 131072 60 1 -0.003100 "H52" "hc" 0 1 131072 61 1 -0.003100 "H61" "hc" 0 1 131072 62 1 -0.007100 "H62" "hc" 0 1 131072 63 1 -0.007100 "H71" "hc" 0 1 131072 64 1 -0.004300 "H72" "hc" 0 1 131072 65 1 -0.004300 "H81" "hc" 0 1 131072 66 1 0.002800 "H82" "hc" 0 1 131072 67 1 0.002800 "H91" "hc" 0 1 131072 68 1 -0.001000 "H92" "hc" 0 1 131072 69 1 -0.001000 "H101" "hc" 0 1 131072 70 1 0.017900 "H102" "hc" 0 1 131072 71 1 0.017900 "H103" "hc" 0 1 131072 72 1 0.017900 !entry.PM8.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "O23" "o" 0 -1 0.0 "P24" "p5" 0 -1 0.0 "O26" "o" 0 -1 0.0 "O27" "os" 0 -1 0.0 "C28" "c3" 0 -1 0.0 "C29" "c3" 0 -1 0.0 "C30" "c3" 0 -1 0.0 "C31" "c3" 0 -1 0.0 "C32" "c3" 0 -1 0.0 "O33" "oh" 0 -1 0.0 "C34" "c" 0 -1 0.0 "O35" "o" 0 -1 0.0 "N36" "n" 0 -1 0.0 "C37" "c3" 0 -1 0.0 "C38" "c3" 0 -1 0.0 "C39" "c" 0 -1 0.0 "O40" "o" 0 -1 0.0 "N41" "n" 0 -1 0.0 "C42" "c3" 0 -1 0.0 "C43" "c3" 0 -1 0.0 "S1" "ss" 0 -1 0.0 "C1" "c" 0 -1 0.0 "O1" "o" 0 -1 0.0 "C2" "c3" 0 -1 0.0 "C3" "c3" 0 -1 0.0 "C4" "c3" 0 -1 0.0 "C5" "c3" 0 -1 0.0 "C6" "c3" 0 -1 0.0 "C7" "c3" 0 -1 0.0 "C8" "c3" 0 -1 0.0 "C9" "c3" 0 -1 0.0 "C10" "c3" 0 -1 0.0 "O25" "o" 0 -1 0.0 "H281" "h1" 0 -1 0.0 "H282" "h1" 0 -1 0.0 "H301" "hc" 0 -1 0.0 "H302" "hc" 0 -1 0.0 "H303" "hc" 0 -1 0.0 "H311" "hc" 0 -1 0.0 "H312" "hc" 0 -1 0.0 "H313" "hc" 0 -1 0.0 "H32" "h1" 0 -1 0.0 "H33" "ho" 0 -1 0.0 "H36" "hn" 0 -1 0.0 "H371" "h1" 0 -1 0.0 "H372" "h1" 0 -1 0.0 "H381" "hc" 0 -1 0.0 "H382" "hc" 0 -1 0.0 "H41" "hn" 0 -1 0.0 "H421" "h1" 0 -1 0.0 "H422" "h1" 0 -1 0.0 "H431" "h1" 0 -1 0.0 "H432" "h1" 0 -1 0.0 "H21" "hc" 0 -1 0.0 "H22" "hc" 0 -1 0.0 "H31" "hc" 0 -1 0.0 "H32A" "hc" 0 -1 0.0 "H41A" "hc" 0 -1 0.0 "H42" "hc" 0 -1 0.0 "H51" "hc" 0 -1 0.0 "H52" "hc" 0 -1 0.0 "H61" "hc" 0 -1 0.0 "H62" "hc" 0 -1 0.0 "H71" "hc" 0 -1 0.0 "H72" "hc" 0 -1 0.0 "H81" "hc" 0 -1 0.0 "H82" "hc" 0 -1 0.0 "H91" "hc" 0 -1 0.0 "H92" "hc" 0 -1 0.0 "H101" "hc" 0 -1 0.0 "H102" "hc" 0 -1 0.0 "H103" "hc" 0 -1 0.0 !entry.PM8.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.PM8.unit.childsequence single int 2 !entry.PM8.unit.connect array int 0 0 !entry.PM8.unit.connectivity table int atom1x int atom2x int flags 1 2 1 2 3 1 2 4 1 2 33 1 4 5 1 5 6 1 5 34 1 5 35 1 6 7 1 6 8 1 6 9 1 7 36 1 7 37 1 7 38 1 8 39 1 8 40 1 8 41 1 9 10 1 9 11 1 9 42 1 10 43 1 11 12 2 11 13 4 13 14 1 13 44 1 14 15 1 14 45 1 14 46 1 15 16 1 15 47 1 15 48 1 16 17 2 16 18 4 18 19 1 18 49 1 19 20 1 19 50 1 19 51 1 20 21 1 20 52 1 20 53 1 21 22 1 22 23 2 22 24 1 24 25 1 24 54 1 24 55 1 25 26 1 25 56 1 25 57 1 26 27 1 26 58 1 26 59 1 27 28 1 27 60 1 27 61 1 28 29 1 28 62 1 28 63 1 29 30 1 29 64 1 29 65 1 30 31 1 30 66 1 30 67 1 31 32 1 31 68 1 31 69 1 32 70 1 32 71 1 32 72 1 !entry.PM8.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 !entry.PM8.unit.name single str "PM8.pdb" !entry.PM8.unit.positions table dbl x dbl y dbl z 8.692000 4.323000 0.321000 8.128000 2.926000 0.891000 6.831000 3.155000 1.564000 7.925000 1.893000 -0.327000 7.740000 0.489000 -0.135000 7.578000 -0.195000 -1.494000 6.361000 0.386000 -2.216000 8.833000 0.042000 -2.336000 7.379000 -1.698000 -1.287000 8.569000 -2.264000 -0.734000 6.228000 -1.927000 -0.343000 6.432000 -2.384000 0.763000 4.971000 -1.625000 -0.726000 3.864000 -1.757000 0.225000 2.556000 -1.355000 -0.458000 1.417000 -1.490000 0.519000 1.631000 -1.870000 1.651000 0.160000 -1.188000 0.136000 -0.947000 -1.319000 1.086000 -2.256000 -0.917000 0.403000 -3.624000 -1.079000 1.577000 -4.927000 -0.583000 0.585000 -4.724000 -0.257000 -0.566000 -6.328000 -0.550000 1.141000 -7.296000 -0.074000 0.057000 -8.718000 -0.040000 0.622000 -9.686000 0.436000 -0.463000 -11.108000 0.470000 0.102000 -12.076000 0.946000 -0.982000 -13.498000 0.979000 -0.418000 -14.467000 1.456000 -1.502000 -15.888000 1.489000 -0.937000 9.046900 2.390300 1.810900 8.607000 0.075000 0.380000 6.846000 0.320000 0.466000 6.550000 1.430000 -2.464000 6.178000 -0.178000 -3.131000 5.488000 0.319000 -1.567000 9.690000 -0.424000 -1.851000 8.694000 -0.393000 -3.326000 9.009000 1.114000 -2.433000 7.163000 -2.171000 -2.245000 8.823000 -1.890000 0.121000 4.800000 -1.321000 -1.631000 3.795000 -2.791000 0.562000 4.042000 -1.107000 1.081000 2.624000 -0.320000 -0.795000 2.378000 -2.005000 -1.315000 -0.011000 -0.884000 -0.769000 -1.016000 -2.353000 1.423000 -0.770000 -0.669000 1.943000 -2.187000 0.117000 0.066000 -2.433000 -1.567000 -0.454000 -6.612000 -1.550000 1.469000 -6.366000 0.135000 1.989000 -7.012000 0.926000 -0.271000 -7.258000 -0.758000 -0.790000 -9.002000 -1.040000 0.949000 -8.756000 0.645000 1.469000 -9.402000 1.436000 -0.790000 -9.648000 -0.249000 -1.310000 -11.392000 -0.530000 0.430000 -11.146000 1.154000 0.949000 -11.792000 1.946000 -1.310000 -12.038000 0.261000 -1.830000 -13.782000 -0.021000 -0.090000 -13.536000 1.664000 0.430000 -14.182000 2.455000 -1.830000 -14.428000 0.771000 -2.349000 -15.926000 2.174000 -0.090000 -16.578000 1.828000 -1.710000 -16.173000 0.489000 -0.609000 !entry.PM8.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 0 0 0 0 0 0 !entry.PM8.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "PM8" 1 73 1 "?" 0 !entry.PM8.unit.residuesPdbSequenceNumber array int 0 !entry.PM8.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.PM8.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