############################## ## ## ## Force Field Definition ## ## ## ############################## forcefield AMOEBA-PROTEIN-2013 bond-cubic -2.55 bond-quartic 3.793125 angle-cubic -0.014 angle-quartic 0.000056 angle-pentic -0.0000007 angle-sextic 0.000000022 opbendtype ALLINGER opbend-cubic -0.014 opbend-quartic 0.000056 opbend-pentic -0.0000007 opbend-sextic 0.000000022 torsionunit 0.5 vdwtype BUFFERED-14-7 radiusrule CUBIC-MEAN radiustype R-MIN radiussize DIAMETER epsilonrule HHG dielectric 1.0 polarization MUTUAL vdw-12-scale 0.0 vdw-13-scale 0.0 vdw-14-scale 1.0 vdw-15-scale 1.0 mpole-12-scale 0.0 mpole-13-scale 0.0 mpole-14-scale 0.4 mpole-15-scale 0.8 polar-12-scale 0.0 polar-13-scale 0.0 polar-14-scale 1.0 polar-15-scale 1.0 polar-12-intra 0.0 polar-13-intra 0.0 polar-14-intra 0.5 polar-15-intra 1.0 direct-11-scale 0.0 direct-12-scale 1.0 direct-13-scale 1.0 direct-14-scale 1.0 mutual-11-scale 1.0 mutual-12-scale 1.0 mutual-13-scale 1.0 mutual-14-scale 1.0 ############################# ## ## ## Literature References ## ## ## ############################# This file contains the 2013 version of the AMOEBA protein force field as per the J. Chem. Theory Comput. article listed immediately below: Y. Shi, Z. Xia, J. Zhang, R. Best, J. W. Ponder and P. Ren, "Polarizable Atomic Multipole-Based AMOEBA Force Field for Proteins", J. Chem. Theory Comput., 9, 4046-4063 (2013) P. Ren, C. Wu and J. W. Ponder, "Polarizable Atomic Multipole-Based Molecular Mechanics for Organic Molecules", J. Chem. Theory Comput., 7, 3143-3161 (2011) J. C. Wu, J.-P. Piquemal, R. Chaudret, P. Reinhardt and P. Ren, "Polarizable Molecular Dynamics Simulation of Zn(II) in Water Using the AMOEBA Force Field", J. Chem. Theory Comput., 6, 2059-2070 (2010) A. Grossfield, P. Ren, J. W. Ponder, "Ion Solvation Thermodynamics from Simulation with a Polarizable Force Field", J. Am. Chem. Soc., 125, 15671-15682 (2003) P. Ren and J. W. Ponder, "Polarizable Atomic Multipole Water Model for Molecular Mechanics Simulation", J. Phys. Chem. B, 107, 5933-5947 (2003) Monovalent ion parameters taken from Zhi Wang, Ph.D. thesis, Department of Chemistry, Washington University in St. Louis, May 2018; available from https://dasher.wustl.edu/ponder/ R. A. Corrigan, G. Qi, A. C. Thiel, J. R. Lynn, B. D. Walker, T. L. Casavant, L. Lagardere, J.-P. Piquemal, J. W. Ponder, P. Ren and M. J. Schnieders, "Implicit Solvents for the Polarizable Atomic Multipole AMOEBA Force Field", J. Chem. Theory Comput., 17, 2323-2341 (2021) ############################################### ## ## ## AMOEBA Protein Force Field Atom Classes ## ## ## ## 1 Backbone Amide Nitrogen ## ## 2 Glycine Alpha Carbon ## ## 3 Backbone Carbonyl Carbon ## ## 4 Amide or Guanidinium Hydrogen ## ## 5 Amide Carbonyl Oxygen ## ## 6 Methine Hydrogen ## ## 7 Methine Carbon ## ## 8 Methyl or Methylene Carbon ## ## 9 Methyl or Methylene Hydrogen ## ## 10 Hydroxyl Oxygen ## ## 11 Hydroxyl Hydrogen ## ## 12 Sulfide or Disulfide Sulfur ## ## 13 Sulfhydryl Hydrogen ## ## 14 Thiolate Sulfur ## ## 15 Proline Backbone Nitrogen ## ## 16 Proline Ring Methylene Carbon ## ## 17 Phenyl Carbon ## ## 18 Phenyl Hydrogen ## ## 19 Phenolic Oxygen ## ## 20 Phenolic Hydrogen ## ## 21 Phenoxide Oxygen ## ## 22 Indole Carbon ## ## 23 Indole CH Hydrogen ## ## 24 Imidazole or Indole NH Nitrogen ## ## 25 Imidazole or Indole NH Hydrogen ## ## 26 Imidazole C=C Carbon ## ## 27 Imidazole CH Hydrogen ## ## 28 Imidazole N=C-N Carbon ## ## 29 Imidazole C=N Nitrogen ## ## 30 Carboxylate Carbon ## ## 31 Carboxylate Oxygen ## ## 32 Carboxylic Acid Carbonyl Carbon ## ## 33 Carboxylic Acid Carbonyl Oxygen ## ## 34 Carboxylic Acid Hydroxyl Oxygen ## ## 35 Carboxylic Acid Hydrogen ## ## 36 Lysine/Ornithine Gamma Carbon ## ## 37 Ammonium Nitrogen ## ## 38 Ammonium Hydrogen ## ## 39 Guanidinium Carbon ## ## 40 Acetyl or NMe Methyl Carbon ## ## 41 N-Terminal Ammonium Nitrogen ## ## 42 N-Terminal Ammonium Hydrogen ## ## ## ############################################### ############################# ## ## ## Atom Type Definitions ## ## ## ############################# atom 1 1 N "Glycine N" 7 14.007 3 atom 2 2 CA "Glycine CA" 6 12.011 4 atom 3 3 C "Glycine C" 6 12.011 3 atom 4 4 HN "Glycine HN" 1 1.008 1 atom 5 5 O "Glycine O" 8 15.999 1 atom 6 6 H "Glycine HA" 1 1.008 1 atom 7 1 N "Alanine N" 7 14.007 3 atom 8 7 CA "Alanine CA" 6 12.011 4 atom 9 3 C "Alanine C" 6 12.011 3 atom 10 4 HN "Alanine HN" 1 1.008 1 atom 11 5 O "Alanine O" 8 15.999 1 atom 12 6 H "Alanine HA" 1 1.008 1 atom 13 8 C "Alanine CB" 6 12.011 4 atom 14 9 H "Alanine HB" 1 1.008 1 atom 15 7 C "Valine CB" 6 12.011 4 atom 16 6 H "Valine HB" 1 1.008 1 atom 17 8 C "Valine CG" 6 12.011 4 atom 18 9 H "Valine HG" 1 1.008 1 atom 19 8 C "Leucine CB" 6 12.011 4 atom 20 9 H "Leucine HB" 1 1.008 1 atom 21 7 C "Leucine CG" 6 12.011 4 atom 22 6 H "Leucine HG" 1 1.008 1 atom 23 8 C "Leucine CD" 6 12.011 4 atom 24 9 H "Leucine HD" 1 1.008 1 atom 25 7 C "Isoleucine CB" 6 12.011 4 atom 26 6 H "Isoleucine HB" 1 1.008 1 atom 27 8 C "Isoleucine CG1" 6 12.011 4 atom 28 9 H "Isoleucine HG1" 1 1.008 1 atom 29 8 C "Isoleucine CG2" 6 12.011 4 atom 30 9 H "Isoleucine HG2" 1 1.008 1 atom 31 8 C "Isoleucine CD" 6 12.011 4 atom 32 9 H "Isoleucine HD" 1 1.008 1 atom 33 8 C "Serine CB" 6 12.011 4 atom 34 9 H "Serine HB" 1 1.008 1 atom 35 10 OH "Serine OG" 8 15.999 2 atom 36 11 HO "Serine HG" 1 1.008 1 atom 37 7 C "Threonine CB" 6 12.011 4 atom 38 6 H "Threonine HB" 1 1.008 1 atom 39 10 OH "Threonine OG1" 8 15.999 2 atom 40 11 HO "Threonine HG1" 1 1.008 1 atom 41 8 C "Threonine CG2" 6 12.011 4 atom 42 9 H "Threonine HG2" 1 1.008 1 atom 43 8 C "Cysteine CB" 6 12.011 4 atom 44 9 H "Cysteine HB" 1 1.008 1 atom 45 12 SH "Cysteine SG" 16 32.066 2 atom 46 13 HS "Cysteine HG" 1 1.008 1 atom 47 12 SS "Cystine SG" 16 32.066 2 atom 48 7 CA "Cysteine Anion CA" 6 12.011 4 atom 49 14 S "Cysteine Anion S-" 16 32.066 1 atom 50 15 N "Proline N" 7 14.007 3 atom 51 7 CA "Proline CA" 6 12.011 4 atom 52 3 C "Proline C" 6 12.011 3 atom 53 5 O "Proline O" 8 15.999 1 atom 54 6 H "Proline HA" 1 1.008 1 atom 55 16 C "Proline CB" 6 12.011 4 atom 56 9 H "Proline HB" 1 1.008 1 atom 57 16 C "Proline CG" 6 12.011 4 atom 58 9 H "Proline HG" 1 1.008 1 atom 59 16 C "Proline CD" 6 12.011 4 atom 60 6 H "Proline HD" 1 1.008 1 atom 61 8 C "Phenylalanine CB" 6 12.011 4 atom 62 9 H "Phenylalanine HB" 1 1.008 1 atom 63 17 C "Phenylalanine CG" 6 12.011 3 atom 64 17 C "Phenylalanine CD" 6 12.011 3 atom 65 18 H "Phenylalanine HD" 1 1.008 1 atom 66 17 C "Phenylalanine CE" 6 12.011 3 atom 67 18 H "Phenylalanine HE" 1 1.008 1 atom 68 17 C "Phenylalanine CZ" 6 12.011 3 atom 69 18 H "Phenylalanine HZ" 1 1.008 1 atom 70 8 C "Tyrosine CB" 6 12.011 4 atom 71 9 H "Tyrosine HB" 1 1.008 1 atom 72 17 C "Tyrosine CG" 6 12.011 3 atom 73 17 C "Tyrosine CD" 6 12.011 3 atom 74 18 H "Tyrosine HD" 1 1.008 1 atom 75 17 C "Tyrosine CE" 6 12.011 3 atom 76 18 H "Tyrosine HE" 1 1.008 1 atom 77 17 C "Tyrosine CZ" 6 12.011 3 atom 78 19 OH "Tyrosine OH" 8 15.999 2 atom 79 20 HO "Tyrosine HH" 1 1.008 1 atom 80 8 C "Tyrosine Anion CB" 6 12.011 4 atom 81 9 H "Tyrosine Anion HB" 1 1.008 1 atom 82 17 C "Tyrosine Anion CG" 6 12.011 3 atom 83 17 C "Tyrosine Anion CD" 6 12.011 3 atom 84 18 H "Tyrosine Anion HD" 1 1.008 1 atom 85 17 C "Tyrosine Anion CE" 6 12.011 3 atom 86 18 H "Tyrosine Anion HE" 1 1.008 1 atom 87 17 C "Tyrosine Anion CZ" 6 12.011 3 atom 88 21 O- "Tyrosine Anion O-" 8 15.999 1 atom 89 8 C "Tryptophan CB" 6 12.011 4 atom 90 9 H "Tryptophan HB" 1 1.008 1 atom 91 22 C "Tryptophan CG" 6 12.011 3 atom 92 22 C "Tryptophan CD1" 6 12.011 3 atom 93 23 H "Tryptophan HD1" 1 1.008 1 atom 94 22 C "Tryptophan CD2" 6 12.011 3 atom 95 24 N "Tryptophan NE1" 7 14.007 3 atom 96 25 HN "Tryptophan HE1" 1 1.008 1 atom 97 22 C "Tryptophan CE2" 6 12.011 3 atom 98 22 C "Tryptophan CE3" 6 12.011 3 atom 99 23 H "Tryptophan HE3" 1 1.008 1 atom 100 22 C "Tryptophan CZ2" 6 12.011 3 atom 101 23 H "Tryptophan HZ2" 1 1.008 1 atom 102 22 C "Tryptophan CZ3" 6 12.011 3 atom 103 23 H "Tryptophan HZ3" 1 1.008 1 atom 104 22 C "Tryptophan CH2" 6 12.011 3 atom 105 23 H "Tryptophan HH2" 1 1.008 1 atom 106 8 C "Histidine (+) CB" 6 12.011 4 atom 107 9 H "Histidine (+) HB" 1 1.008 1 atom 108 26 C "Histidine (+) CG" 6 12.011 3 atom 109 24 N "Histidine (+) ND1" 7 14.007 3 atom 110 25 HN "Histidine (+) HD1" 1 1.008 1 atom 111 26 C "Histidine (+) CD2" 6 12.011 3 atom 112 27 H "Histidine (+) HD2" 1 1.008 1 atom 113 28 C "Histidine (+) CE1" 6 12.011 3 atom 114 27 H "Histidine (+) HE1" 1 1.008 1 atom 115 24 N "Histidine (+) NE2" 7 14.007 3 atom 116 25 HN "Histidine (+) HE2" 1 1.008 1 atom 117 8 C "Histidine (HD) CB" 6 12.011 4 atom 118 9 H "Histidine (HD) HB" 1 1.008 1 atom 119 26 C "Histidine (HD) CG" 6 12.011 3 atom 120 24 N "Histidine (HD) ND1" 7 14.007 3 atom 121 25 HN "Histidine (HD) HD1" 1 1.008 1 atom 122 26 C "Histidine (HD) CD2" 6 12.011 3 atom 123 27 H "Histidine (HD) HD2" 1 1.008 1 atom 124 28 C "Histidine (HD) CE1" 6 12.011 3 atom 125 27 H "Histidine (HD) HE1" 1 1.008 1 atom 126 29 N "Histidine (HD) NE2" 7 14.007 2 atom 127 8 C "Histidine (HE) CB" 6 12.011 4 atom 128 9 H "Histidine (HE) HB" 1 1.008 1 atom 129 26 C "Histidine (HE) CG" 6 12.011 3 atom 130 29 N "Histidine (HE) ND1" 7 14.007 2 atom 131 26 C "Histidine (HE) CD2" 6 12.011 3 atom 132 27 H "Histidine (HE) HD2" 1 1.008 1 atom 133 28 C "Histidine (HE) CE1" 6 12.011 3 atom 134 27 H "Histidine (HE) HE1" 1 1.008 1 atom 135 24 N "Histidine (HE) NE2" 7 14.007 3 atom 136 25 HN "Histidine (HE) HE2" 1 1.008 1 atom 137 8 C "Aspartate CB" 6 12.011 4 atom 138 9 H "Aspartate HB" 1 1.008 1 atom 139 30 C "Aspartate CG" 6 12.011 3 atom 140 31 O "Aspartate OD" 8 15.999 1 atom 141 8 C "Aspartic Acid CB" 6 12.011 4 atom 142 9 H "Aspartic Acid HB" 1 1.008 1 atom 143 32 C "Aspartic Acid CG" 6 12.011 3 atom 144 33 O "Aspartic Acid OD1" 8 15.999 1 atom 145 34 OH "Aspartic Acid OD2" 8 15.999 2 atom 146 35 HO "Aspartic Acid HD2" 1 1.008 1 atom 147 8 C "Asparagine CB" 6 12.011 4 atom 148 9 H "Asparagine HB" 1 1.008 1 atom 149 3 C "Asparagine CG" 6 12.011 3 atom 150 5 O "Asparagine OD1" 8 15.999 1 atom 151 1 N "Asparagine ND2" 7 14.007 3 atom 152 4 HN "Asparagine HD2" 1 1.008 1 atom 153 8 C "Glutamate CB" 6 12.011 4 atom 154 9 H "Glutamate HB" 1 1.008 1 atom 155 8 C "Glutamate CG" 6 12.011 4 atom 156 9 H "Glutamate HG" 1 1.008 1 atom 157 30 C "Glutamate CD" 6 12.011 3 atom 158 31 O "Glutamate OE" 8 15.999 1 atom 159 8 C "Glutamic Acid CB" 6 12.011 4 atom 160 9 H "Glutamic Acid HB" 1 1.008 1 atom 161 8 C "Glutamic Acid CG" 6 12.011 4 atom 162 9 H "Glutamic Acid HG" 1 1.008 1 atom 163 32 C "Glutamic Acid CD" 6 12.011 3 atom 164 33 O "Glutamic Acid OE1" 8 15.999 1 atom 165 34 O "Glutamic Acid OE2" 8 15.999 2 atom 166 35 H "Glutamic Acid HE2" 1 1.008 1 atom 167 8 C "Glutamine CB" 6 12.011 4 atom 168 9 H "Glutamine HB" 1 1.008 1 atom 169 8 C "Glutamine CG" 6 12.011 4 atom 170 9 H "Glutamine HG" 1 1.008 1 atom 171 3 C "Glutamine CD" 6 12.011 3 atom 172 5 O "Glutamine OE1" 8 15.999 1 atom 173 1 N "Glutamine NE2" 7 14.007 3 atom 174 4 HN "Glutamine HE2" 1 1.008 1 atom 175 8 C "Methionine CB" 6 12.011 4 atom 176 9 H "Methionine HB" 1 1.008 1 atom 177 8 C "Methionine CG" 6 12.011 4 atom 178 9 H "Methionine HG" 1 1.008 1 atom 179 12 S "Methionine SD" 16 32.066 2 atom 180 8 C "Methionine CE" 6 12.011 4 atom 181 9 H "Methionine HE" 1 1.008 1 atom 182 8 C "Lysine CB" 6 12.011 4 atom 183 9 H "Lysine HB" 1 1.008 1 atom 184 36 C "Lysine CG" 6 12.011 4 atom 185 9 H "Lysine HG" 1 1.008 1 atom 186 8 C "Lysine CD" 6 12.011 4 atom 187 9 H "Lysine HD" 1 1.008 1 atom 188 8 C "Lysine CE" 6 12.011 4 atom 189 9 H "Lysine HE" 1 1.008 1 atom 190 37 N "Lysine NZ" 7 14.007 4 atom 191 38 HN "Lysine HN" 1 1.008 1 atom 192 8 C "Lysine (Neutral) CB" 6 12.011 4 atom 193 9 H "Lysine (Neutral) HB" 1 1.008 1 atom 194 36 C "Lysine (Neutral) CG" 6 12.011 4 atom 195 9 H "Lysine (Neutral) HG" 1 1.008 1 atom 196 8 C "Lysine (Neutral) CD" 6 12.011 4 atom 197 9 H "Lysine (Neutral) HD" 1 1.008 1 atom 198 8 C "Lysine (Neutral) CE" 6 12.011 4 atom 199 9 H "Lysine (Neutral) HE" 1 1.008 1 atom 200 37 N "Lysine (Neutral) NZ" 7 14.007 3 atom 201 38 HN "Lysine (Neutral) HN" 1 1.008 1 atom 202 8 C "Arginine CB" 6 12.011 4 atom 203 9 H "Arginine HB" 1 1.008 1 atom 204 8 C "Arginine CG" 6 12.011 4 atom 205 9 H "Arginine HG" 1 1.008 1 atom 206 8 C "Arginine CD" 6 12.011 4 atom 207 9 H "Arginine HD" 1 1.008 1 atom 208 1 N "Arginine NE" 7 14.007 3 atom 209 4 HN "Arginine HE" 1 1.008 1 atom 210 39 C "Arginine CZ" 6 12.011 3 atom 211 1 N "Arginine NH" 7 14.007 3 atom 212 4 HN "Arginine HH" 1 1.008 1 atom 213 8 C "Ornithine CB" 6 12.011 4 atom 214 9 H "Ornithine HB" 1 1.008 1 atom 215 36 C "Ornithine CG" 6 12.011 4 atom 216 9 H "Ornithine HG" 1 1.008 1 atom 217 8 C "Ornithine CD" 6 12.011 4 atom 218 9 H "Ornithine HD" 1 1.008 1 atom 219 37 N "Ornithine NE" 7 14.007 4 atom 220 38 HN "Ornithine HE" 1 1.008 1 atom 221 40 C "Acetyl Cap CH3" 6 12.011 4 atom 222 6 H "Acetyl Cap H3C" 1 1.008 1 atom 223 3 C "Acetyl Cap C" 6 12.011 3 atom 224 5 O "Acetyl Cap O" 8 15.999 1 atom 225 1 N "Amide Cap NH2" 7 14.007 3 atom 226 4 HN "Amide Cap H2N" 1 1.008 1 atom 227 1 N "N-MeAmide Cap N" 7 14.007 3 atom 228 4 HN "N-MeAmide Cap HN" 1 1.008 1 atom 229 40 C "N-MeAmide Cap CH3" 6 12.011 4 atom 230 6 H "N-MeAmide Cap H3C" 1 1.008 1 atom 231 41 N "N-Terminal NH3+" 7 14.007 4 atom 232 42 H "N-Terminal H3N+" 1 1.008 1 atom 233 30 C "C-Terminal COO-" 6 12.011 3 atom 234 31 O "C-Terminal COO-" 8 15.999 1 atom 235 32 C "C-Terminal COOH C=O" 6 12.011 3 atom 236 33 O "C-Terminal COOH O=C" 8 15.999 1 atom 237 34 OH "C-Terminal COOH OH" 8 15.999 2 atom 238 35 HO "C-Terminal COOH HO" 1 1.008 1 atom 239 41 N "N-Terminal PRO NH2+" 7 14.007 4 atom 240 42 HN "N-Terminal PRO H2N+" 1 1.008 1 atom 241 7 CA "N-Terminal PRO CA" 6 12.011 4 atom 242 3 C "N-Terminal PRO C" 6 12.011 3 atom 243 5 O "N-Terminal PRO O" 8 15.999 1 atom 244 6 H "N-Terminal PRO HA" 1 1.008 1 atom 245 16 C "N-Terminal PRO CD" 6 12.011 4 atom 246 6 H "N-Terminal PRO HD" 1 1.008 1 atom 247 43 O "AMOEBA Water O" 8 15.999 2 atom 248 44 H "AMOEBA Water H" 1 1.008 1 atom 249 45 Li+ "Lithium Ion Li+" 3 6.941 0 atom 250 46 Na+ "Sodium Ion Na+" 11 22.990 0 atom 251 47 K+ "Potassium Ion K+" 19 39.098 0 atom 252 48 Rb+ "Rubidium Ion Rb+" 37 85.468 0 atom 253 49 Cs+ "Cesium Ion Cs+" 55 132.905 0 atom 254 50 Be2 "Beryllium Ion Be+2" 4 9.012 0 atom 255 51 Mg2 "Magnesium Ion Mg+2" 12 24.305 0 atom 256 52 Ca2 "Calcium Ion Ca+2" 20 40.078 0 atom 257 53 Sr2 "Strontium Ion Sr+2" 38 87.620 0 atom 258 54 Ba2 "Barium Ion Ba+2" 56 137.330 0 atom 259 55 Zn2 "Zinc Ion Zn+2" 30 65.380 0 atom 260 56 F- "Fluoride Ion F-" 9 18.998 0 atom 261 57 Cl- "Chloride Ion Cl-" 17 35.453 0 atom 262 58 Br- "Bromide Ion Br-" 35 79.904 0 atom 263 59 I- "Iodide Ion I-" 53 126.904 0 ################################ ## ## ## Van der Waals Parameters ## ## ## ################################ vdw 1 3.7100 0.1100 vdw 2 3.8200 0.1010 vdw 3 3.8200 0.1060 vdw 4 2.5900 0.0220 0.900 vdw 5 3.3000 0.1120 vdw 6 2.9400 0.0260 0.910 vdw 7 3.6500 0.1010 vdw 8 3.8200 0.1010 vdw 9 2.9800 0.0240 0.920 vdw 10 3.4050 0.1100 vdw 11 2.6550 0.0135 0.910 vdw 12 4.0050 0.3550 vdw 14 4.2000 0.3550 vdw 13 3.0000 0.0265 0.980 vdw 15 3.7100 0.1100 vdw 16 3.8200 0.1010 vdw 17 3.8000 0.0890 vdw 18 2.9800 0.0260 0.920 vdw 19 3.4050 0.1100 vdw 20 2.6550 0.0135 0.910 vdw 21 3.3200 0.1120 vdw 22 3.8000 0.1010 vdw 23 2.9800 0.0260 0.920 vdw 24 3.7100 0.1100 vdw 25 2.5900 0.0220 0.900 vdw 26 3.8000 0.1010 vdw 27 2.9800 0.0260 0.920 vdw 28 3.8000 0.1010 vdw 29 3.7100 0.1100 vdw 30 3.8200 0.1060 vdw 31 3.5500 0.0950 vdw 32 3.8200 0.1060 vdw 33 3.3000 0.1120 vdw 34 3.4050 0.1100 vdw 35 2.6550 0.0150 0.910 vdw 36 3.8200 0.1010 vdw 37 3.8100 0.1050 vdw 38 2.4800 0.0130 0.910 vdw 39 3.6500 0.1010 vdw 40 3.8200 0.1010 vdw 41 3.7600 0.1050 vdw 42 2.7000 0.0200 0.910 vdw 43 3.4050 0.1100 vdw 44 2.6550 0.0135 0.910 vdw 45 2.2000 0.0660 vdw 46 2.9550 0.2800 vdw 47 3.6800 0.3500 vdw 48 3.9000 0.3800 vdw 49 4.1400 0.4200 vdw 50 1.8800 0.0910 vdw 51 2.9000 0.2800 vdw 52 3.5900 0.3500 vdw 53 3.8700 0.3850 vdw 54 4.2000 0.4200 vdw 55 2.6800 0.2220 vdw 56 3.4300 0.2500 vdw 57 4.1200 0.3400 vdw 58 4.3200 0.4300 vdw 59 4.6100 0.5200 ##################################### ## ## ## Van der Waals Pair Parameters ## ## ## ##################################### vdwpair 4 31 3.1000 0.0400 vdwpair 5 51 3.0000 0.1530 vdwpair 5 52 3.2700 0.1750 vdwpair 5 55 2.8900 0.1750 vdwpair 47 57 4.2360 0.1512 vdwpair 47 58 4.3790 0.1664 vdwpair 47 59 4.6360 0.1720 vdwpair 48 57 4.3150 0.1859 vdwpair 48 58 4.4480 0.2068 vdwpair 48 59 4.6900 0.2145 vdwpair 49 57 4.3450 0.2894 vdwpair 49 58 4.4750 0.3307 vdwpair 49 59 4.7110 0.3466 ################################## ## ## ## Bond Stretching Parameters ## ## ## ################################## bond 1 2 375.00 1.4370 bond 1 3 482.00 1.3450 bond 1 4 487.00 1.0280 bond 1 7 375.00 1.4370 bond 1 8 374.80 1.4460 bond 1 39 491.40 1.3250 bond 1 40 375.00 1.4370 bond 2 3 345.00 1.5090 bond 2 6 341.00 1.1120 bond 2 30 345.00 1.5090 bond 2 32 345.00 1.5090 bond 2 41 381.30 1.4480 bond 3 5 662.00 1.2255 bond 3 7 345.00 1.5090 bond 3 8 345.00 1.5090 bond 3 15 482.00 1.3450 bond 3 40 345.00 1.5090 bond 6 7 341.00 1.1120 bond 6 16 341.00 1.1120 bond 6 40 341.00 1.1120 bond 7 7 323.00 1.5250 bond 7 8 323.00 1.5250 bond 7 10 410.00 1.4130 bond 7 15 375.00 1.4370 bond 7 16 323.00 1.5250 bond 7 30 345.00 1.5090 bond 7 32 345.00 1.5090 bond 7 41 381.30 1.4480 bond 8 8 323.00 1.5250 bond 8 9 341.00 1.1120 bond 8 10 410.00 1.4130 bond 8 12 215.80 1.8050 bond 8 14 215.80 1.8130 bond 8 17 453.20 1.4990 bond 8 22 345.00 1.5090 bond 8 26 453.20 1.4930 bond 8 30 345.00 1.5090 bond 8 32 345.00 1.5090 bond 8 36 323.00 1.5250 bond 8 37 381.30 1.4480 bond 9 16 341.00 1.1120 bond 9 36 341.00 1.1120 bond 10 11 548.90 0.9470 bond 12 12 188.50 2.0190 bond 12 13 278.40 1.3420 bond 15 16 375.00 1.4370 bond 16 16 323.00 1.5247 bond 16 41 381.30 1.4480 bond 17 17 471.90 1.3887 bond 17 18 370.50 1.1000 bond 17 19 431.60 1.3550 bond 17 21 680.00 1.2747 bond 19 20 548.90 0.9470 bond 22 22 471.90 1.3887 bond 22 23 370.50 1.1010 bond 22 24 653.90 1.3550 bond 24 25 467.60 1.0300 bond 24 26 653.90 1.3730 bond 24 28 653.90 1.3520 bond 26 26 539.60 1.3710 bond 26 27 370.50 1.0810 bond 26 29 670.00 1.3740 bond 27 28 370.50 1.0810 bond 28 29 670.00 1.3270 bond 30 31 705.00 1.2553 bond 32 33 705.00 1.2255 bond 32 34 431.60 1.3498 bond 34 35 514.40 0.9737 bond 37 38 461.90 1.0150 bond 41 42 461.90 1.0150 bond 43 44 556.85 0.9572 ################################ ## ## ## Angle Bending Parameters ## ## ## ################################ anglep 2 1 3 50.00 122.00 anglep 2 1 4 32.00 117.00 anglep 3 1 4 36.00 121.00 anglep 3 1 7 50.00 122.00 anglep 3 1 40 50.00 121.00 anglep 4 1 4 29.50 123.00 anglep 4 1 7 32.00 117.00 anglep 4 1 8 13.70 122.40 anglep 4 1 39 41.70 120.50 anglep 4 1 40 32.00 117.00 anglep 8 1 39 52.50 120.40 angle 1 2 3 55.00 109.80 angle 1 2 6 55.00 111.00 angle 1 2 30 61.00 109.60 angle 1 2 32 61.00 109.60 angle 3 2 6 39.00 109.50 angle 3 2 41 75.20 110.70 angle 6 2 6 40.00 107.60 angle 6 2 30 39.00 109.50 angle 6 2 32 39.00 109.50 angle 6 2 41 59.00 109.30 anglep 1 3 2 70.00 113.40 anglep 1 3 5 77.00 124.20 anglep 1 3 7 70.00 113.40 anglep 1 3 8 70.00 113.40 anglep 1 3 40 41.00 113.40 anglep 2 3 5 80.00 122.40 anglep 2 3 15 70.00 113.40 anglep 5 3 7 80.00 122.40 anglep 5 3 8 80.00 122.40 anglep 5 3 15 77.00 124.20 anglep 5 3 40 80.00 122.40 anglep 7 3 15 70.00 113.40 anglep 15 3 40 41.00 113.40 angle 1 7 3 61.00 109.60 angle 1 7 6 55.00 111.00 angle 1 7 7 54.00 111.30 angle 1 7 8 54.00 111.30 angle 1 7 30 61.00 109.60 angle 1 7 32 61.00 109.60 angle 3 7 6 39.00 109.50 angle 3 7 7 58.00 110.60 angle 3 7 8 58.00 110.60 angle 3 7 15 61.00 109.60 angle 3 7 16 58.00 110.60 angle 3 7 41 75.20 110.70 angle 6 7 7 42.00 110.70 angle 6 7 8 42.00 112.80 angle 6 7 10 59.00 110.00 108.90 108.70 angle 6 7 15 55.00 111.00 angle 6 7 16 42.00 112.80 angle 6 7 30 39.00 109.50 angle 6 7 32 39.00 109.50 angle 6 7 41 59.00 109.30 angle 7 7 8 48.20 109.50 110.20 111.00 angle 7 7 10 59.70 107.50 angle 7 7 30 58.00 110.60 angle 7 7 41 56.10 108.50 angle 8 7 8 48.20 109.50 110.20 111.00 angle 8 7 10 59.70 107.50 angle 8 7 30 58.00 110.60 angle 8 7 32 58.00 110.60 angle 8 7 41 75.20 110.70 angle 15 7 16 54.00 104.00 angle 15 7 30 61.00 109.60 angle 16 7 30 58.00 110.60 angle 16 7 41 54.00 104.00 angle 1 8 8 56.10 109.50 angle 1 8 9 54.60 111.00 angle 3 8 7 47.60 110.60 angle 3 8 8 47.60 110.60 angle 3 8 9 39.00 109.50 angle 7 8 7 48.20 109.50 110.20 111.00 angle 7 8 8 48.20 109.50 110.20 111.00 angle 7 8 9 42.00 110.70 angle 7 8 10 59.70 107.50 angle 7 8 12 53.20 108.00 109.50 110.10 angle 7 8 14 53.20 108.00 109.50 110.10 angle 7 8 17 38.90 110.60 angle 7 8 22 48.20 109.50 110.20 111.00 angle 7 8 26 38.80 112.70 angle 7 8 30 47.60 110.60 angle 7 8 32 47.60 110.60 angle 7 8 36 48.20 109.50 110.20 111.00 angle 8 8 8 48.20 109.50 110.20 111.00 angle 8 8 9 42.00 110.70 angle 8 8 12 53.20 108.00 109.50 110.10 angle 8 8 30 47.60 110.60 angle 8 8 32 47.60 110.60 angle 8 8 36 48.20 109.50 110.20 111.00 angle 8 8 37 56.10 109.50 angle 9 8 9 40.00 107.80 angle 9 8 10 59.00 110.00 108.90 108.70 angle 9 8 12 53.20 110.80 110.80 108.00 angle 9 8 14 53.20 110.80 110.80 108.00 angle 9 8 17 39.60 109.50 109.30 110.40 angle 9 8 22 61.20 109.80 109.30 110.70 angle 9 8 26 39.60 109.50 angle 9 8 30 39.00 109.50 angle 9 8 32 39.00 109.50 angle 9 8 36 42.00 110.70 angle 9 8 37 59.00 109.30 angle 36 8 37 56.10 109.50 angle 7 10 11 54.00 106.80 angle 8 10 11 54.00 106.80 angle 8 12 8 60.40 95.90 angle 8 12 12 71.90 101.80 angle 8 12 13 46.80 96.00 anglep 3 15 7 50.00 122.00 anglep 3 15 16 50.00 122.00 anglep 7 15 16 54.70 112.50 angle 6 16 6 40.00 107.80 angle 6 16 15 55.00 111.00 angle 6 16 16 42.00 110.70 angle 6 16 41 55.00 111.00 angle 7 16 9 42.00 110.70 angle 7 16 16 48.20 104.00 angle 9 16 9 40.00 107.80 angle 9 16 16 42.00 110.70 angle 15 16 16 54.00 104.00 angle 16 16 16 48.20 104.00 angle 16 16 41 54.00 104.00 anglep 8 17 17 33.80 122.30 anglep 17 17 17 54.70 121.70 anglep 17 17 18 35.30 120.00 120.50 0.00 anglep 17 17 19 43.20 120.00 anglep 17 17 21 60.00 123.57 angle 17 19 20 25.90 109.00 anglep 8 22 22 61.90 127.00 anglep 22 22 22 63.30 120.00 anglep 22 22 23 35.30 128.00 anglep 22 22 24 47.50 109.00 anglep 23 22 24 86.30 122.50 anglep 22 24 22 86.30 109.00 anglep 22 24 25 35.30 125.50 anglep 25 24 26 35.30 125.50 anglep 25 24 28 35.30 125.50 anglep 26 24 28 86.30 110.80 anglep 8 26 24 36.00 122.00 anglep 8 26 26 36.00 131.00 anglep 8 26 29 36.00 122.00 anglep 24 26 26 47.50 104.70 anglep 24 26 27 38.10 122.50 anglep 24 26 29 28.80 111.50 anglep 26 26 27 35.30 128.00 anglep 26 26 29 47.50 110.50 anglep 27 26 29 38.10 122.50 anglep 24 28 24 28.80 110.30 anglep 24 28 27 38.10 122.50 anglep 24 28 29 28.80 112.20 anglep 27 28 29 38.10 122.50 angle 26 29 28 86.30 104.30 anglep 2 30 31 80.00 122.40 anglep 7 30 31 80.00 122.40 anglep 8 30 31 80.00 122.40 anglep 8 30 33 80.00 122.40 anglep 8 30 34 111.50 110.30 anglep 31 30 31 57.60 134.00 anglep 2 32 33 80.00 122.40 anglep 2 32 34 80.00 122.40 anglep 7 32 33 80.00 122.40 anglep 7 32 34 80.00 122.40 anglep 8 32 33 80.00 122.40 anglep 8 32 34 111.50 110.30 anglep 33 32 34 122.30 121.50 angle 30 34 35 49.60 108.70 angle 32 34 35 49.60 108.70 angle 8 36 8 48.20 109.50 110.20 111.00 angle 8 36 9 42.00 110.70 angle 9 36 9 40.00 107.80 angle 8 37 38 43.20 110.90 angle 38 37 38 43.50 107.00 anglep 1 39 1 28.80 120.00 angle 1 40 6 55.00 111.00 angle 3 40 6 39.00 109.50 angle 6 40 6 40.00 107.80 angle 2 41 42 43.20 108.50 angle 7 41 16 54.70 112.50 angle 7 41 42 43.20 108.50 angle 16 41 42 43.20 110.90 angle 42 41 42 43.20 105.40 angle 44 43 44 48.70 108.50 ############################### ## ## ## Stretch-Bend Parameters ## ## ## ############################### strbnd 2 1 3 7.20 7.20 strbnd 2 1 4 4.30 4.30 strbnd 3 1 4 4.30 4.30 strbnd 3 1 7 7.20 7.20 strbnd 3 1 40 7.20 7.20 strbnd 4 1 7 4.30 4.30 strbnd 4 1 8 4.30 4.30 strbnd 4 1 39 4.30 4.30 strbnd 4 1 40 4.30 4.30 strbnd 8 1 39 7.20 7.20 strbnd 1 2 3 18.70 18.70 strbnd 1 2 6 11.50 11.50 strbnd 1 2 30 18.70 18.70 strbnd 1 2 32 18.70 18.70 strbnd 3 2 6 11.50 11.50 strbnd 3 2 41 18.70 18.70 strbnd 6 2 30 11.50 11.50 strbnd 6 2 32 11.50 11.50 strbnd 6 2 41 11.50 11.50 strbnd 1 3 2 18.70 18.70 strbnd 1 3 5 18.70 18.70 strbnd 1 3 7 18.70 18.70 strbnd 1 3 8 18.70 18.70 strbnd 1 3 40 18.70 18.70 strbnd 2 3 5 18.70 18.70 strbnd 2 3 15 18.70 18.70 strbnd 5 3 7 18.70 18.70 strbnd 5 3 8 18.70 18.70 strbnd 5 3 15 18.70 18.70 strbnd 5 3 40 18.70 18.70 strbnd 7 3 15 18.70 18.70 strbnd 15 3 40 18.70 18.70 strbnd 1 7 3 18.70 18.70 strbnd 1 7 6 11.50 11.50 strbnd 1 7 7 18.70 18.70 strbnd 1 7 8 18.70 18.70 strbnd 1 7 30 18.70 18.70 strbnd 1 7 32 18.70 18.70 strbnd 3 7 6 11.50 11.50 strbnd 3 7 7 18.70 18.70 strbnd 3 7 8 18.70 18.70 strbnd 3 7 15 18.70 18.70 strbnd 3 7 16 18.70 18.70 strbnd 3 7 41 18.70 18.70 strbnd 6 7 7 11.50 11.50 strbnd 6 7 8 11.50 11.50 strbnd 6 7 10 11.50 11.50 strbnd 6 7 15 11.50 11.50 strbnd 6 7 16 11.50 11.50 strbnd 6 7 30 11.50 11.50 strbnd 6 7 32 11.50 11.50 strbnd 6 7 41 11.50 11.50 strbnd 7 7 8 18.70 18.70 strbnd 7 7 10 18.70 18.70 strbnd 7 7 30 18.70 18.70 strbnd 7 7 41 18.70 18.70 strbnd 8 7 8 18.70 18.70 strbnd 8 7 10 18.70 18.70 strbnd 8 7 30 18.70 18.70 strbnd 8 7 32 18.70 18.70 strbnd 8 7 41 18.70 18.70 strbnd 15 7 16 18.70 18.70 strbnd 15 7 30 18.70 18.70 strbnd 16 7 30 18.70 18.70 strbnd 16 7 41 18.70 18.70 strbnd 1 8 8 18.70 18.70 strbnd 1 8 9 11.50 11.50 strbnd 3 8 7 18.70 18.70 strbnd 3 8 8 18.70 18.70 strbnd 3 8 9 11.50 11.50 strbnd 7 8 7 18.70 18.70 strbnd 7 8 8 18.70 18.70 strbnd 7 8 9 11.50 11.50 strbnd 7 8 10 18.70 18.70 strbnd 7 8 12 18.70 18.70 strbnd 7 8 14 18.70 18.70 strbnd 7 8 17 18.70 18.70 strbnd 7 8 22 18.70 18.70 strbnd 7 8 26 18.70 18.70 strbnd 7 8 30 18.70 18.70 strbnd 7 8 32 18.70 18.70 strbnd 7 8 36 18.70 18.70 strbnd 8 8 8 18.70 18.70 strbnd 8 8 9 11.50 11.50 strbnd 8 8 12 18.70 18.70 strbnd 8 8 30 18.70 18.70 strbnd 8 8 32 18.70 18.70 strbnd 8 8 36 18.70 18.70 strbnd 8 8 37 18.70 18.70 strbnd 9 8 10 11.50 11.50 strbnd 9 8 12 11.50 11.50 strbnd 9 8 14 11.50 11.50 strbnd 9 8 17 11.50 11.50 strbnd 9 8 22 11.50 11.50 strbnd 9 8 26 11.50 11.50 strbnd 9 8 30 11.50 11.50 strbnd 9 8 32 11.50 11.50 strbnd 9 8 36 11.50 11.50 strbnd 9 8 37 11.50 11.50 strbnd 36 8 37 18.70 18.70 strbnd 7 10 11 12.95 12.95 strbnd 8 10 11 12.95 12.95 strbnd 8 12 8 -5.75 -5.75 strbnd 8 12 12 -5.75 -5.75 strbnd 8 12 13 1.45 1.45 strbnd 3 15 7 7.20 7.20 strbnd 3 15 16 7.20 7.20 strbnd 7 15 16 7.20 7.20 strbnd 6 16 15 11.50 11.50 strbnd 6 16 16 11.50 11.50 strbnd 6 16 41 11.50 11.50 strbnd 7 16 9 11.50 11.50 strbnd 7 16 16 18.70 18.70 strbnd 9 16 16 11.50 11.50 strbnd 15 16 16 18.70 18.70 strbnd 16 16 16 18.70 18.70 strbnd 16 16 41 18.70 18.70 strbnd 8 17 17 18.70 18.70 strbnd 17 17 17 18.70 18.70 strbnd 17 17 18 11.50 11.50 strbnd 17 17 19 18.70 18.70 strbnd 17 17 21 18.70 18.70 strbnd 17 19 20 12.95 12.95 strbnd 8 22 22 18.70 18.70 strbnd 22 22 22 18.70 18.70 strbnd 22 22 23 11.50 11.50 strbnd 22 22 24 18.70 18.70 strbnd 23 22 24 11.50 11.50 strbnd 22 24 22 14.40 14.40 strbnd 22 24 25 4.30 4.30 strbnd 25 24 26 4.30 4.30 strbnd 25 24 28 4.30 4.30 strbnd 26 24 28 14.40 14.40 strbnd 8 26 24 18.70 18.70 strbnd 8 26 26 18.70 18.70 strbnd 8 26 29 18.70 18.70 strbnd 24 26 26 18.70 18.70 strbnd 24 26 27 11.50 11.50 strbnd 24 26 29 18.70 18.70 strbnd 26 26 27 11.50 11.50 strbnd 26 26 29 18.70 18.70 strbnd 27 26 29 11.50 11.50 strbnd 24 28 24 18.70 18.70 strbnd 24 28 27 11.50 11.50 strbnd 24 28 29 18.70 18.70 strbnd 27 28 29 11.50 11.50 strbnd 26 29 28 14.40 14.40 strbnd 2 30 31 18.70 18.70 strbnd 7 30 31 18.70 18.70 strbnd 8 30 31 18.70 18.70 strbnd 8 30 33 18.70 18.70 strbnd 8 30 34 18.70 18.70 strbnd 31 30 31 18.70 18.70 strbnd 2 32 33 18.70 18.70 strbnd 2 32 34 18.70 18.70 strbnd 7 32 33 18.70 18.70 strbnd 7 32 34 18.70 18.70 strbnd 8 32 33 18.70 18.70 strbnd 8 32 34 18.70 18.70 strbnd 33 32 34 18.70 18.70 strbnd 8 36 8 18.70 18.70 strbnd 8 36 9 11.50 11.50 strbnd 9 36 9 11.50 11.50 strbnd 8 37 38 4.30 4.30 strbnd 1 39 1 18.70 18.70 strbnd 1 40 6 11.50 11.50 strbnd 3 40 6 11.50 11.50 strbnd 2 41 42 4.30 4.30 strbnd 7 41 16 7.20 7.20 strbnd 7 41 42 4.30 4.30 strbnd 16 41 42 4.30 4.30 ############################### ## ## ## Urey-Bradley Parameters ## ## ## ############################### ureybrad 44 43 44 -7.60 1.5537 #################################### ## ## ## Out-of-Plane Bend Parameters ## ## ## #################################### opbend 2 1 0 0 41.70 opbend 3 1 0 0 70.50 opbend 4 1 0 0 12.90 opbend 7 1 0 0 41.70 opbend 8 1 0 0 0.70 opbend 39 1 0 0 3.60 opbend 40 1 0 0 41.70 opbend 1 3 0 0 107.90 opbend 2 3 0 0 49.60 opbend 5 3 0 0 54.00 opbend 7 3 0 0 49.60 opbend 8 3 0 0 20.90 opbend 15 3 0 0 49.60 opbend 40 3 0 0 49.60 opbend 3 15 0 0 14.40 opbend 7 15 0 0 14.40 opbend 16 15 0 0 14.40 opbend 40 15 0 0 14.40 opbend 8 17 0 0 14.40 opbend 17 17 0 0 14.40 opbend 18 17 0 0 15.10 opbend 19 17 0 0 14.40 opbend 21 17 0 0 14.40 opbend 8 22 0 0 14.40 opbend 22 22 0 0 14.40 opbend 23 22 0 0 15.10 opbend 24 22 0 0 14.40 opbend 22 24 0 0 34.50 opbend 25 24 0 0 12.90 opbend 26 24 0 0 15.10 opbend 28 24 0 0 15.10 opbend 8 26 0 0 14.40 opbend 24 26 0 0 14.40 opbend 26 26 0 0 14.40 opbend 27 26 0 0 14.40 opbend 29 26 0 0 14.40 opbend 24 28 0 0 14.40 opbend 27 28 0 0 14.40 opbend 29 28 0 0 14.40 opbend 2 30 0 0 121.60 opbend 7 30 0 0 121.60 opbend 8 30 0 0 121.60 opbend 31 30 0 0 118.70 opbend 2 32 0 0 121.60 opbend 7 32 0 0 121.60 opbend 8 32 0 0 121.60 opbend 33 32 0 0 118.70 opbend 34 32 0 0 133.10 opbend 1 39 0 0 14.40 ############################ ## ## ## Torsional Parameters ## ## ## ############################ torsion 3 1 2 3 -3.805 0.0 1 1.646 180.0 2 1.239 0.0 3 torsion 3 1 2 6 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 3 1 2 30 -0.856 0.0 1 0.048 180.0 2 -1.842 0.0 3 torsion 3 1 2 32 -6.037 0.0 1 -0.396 180.0 2 2.176 0.0 3 torsion 4 1 2 3 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 4 1 2 6 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 4 1 2 30 0.000 0.0 1 8.000 180.0 2 0.000 0.0 3 torsion 4 1 2 32 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 2 1 3 2 -1.000 0.0 1 2.000 180.0 2 2.000 0.0 3 torsion 2 1 3 5 1.000 0.0 1 2.250 180.0 2 -2.250 0.0 3 torsion 2 1 3 7 -1.000 0.0 1 2.000 180.0 2 2.000 0.0 3 torsion 2 1 3 40 -1.000 0.0 1 2.000 180.0 2 2.000 0.0 3 torsion 4 1 3 2 0.000 0.0 1 1.000 180.0 2 0.800 0.0 3 torsion 4 1 3 5 0.000 0.0 1 1.000 180.0 2 -0.550 0.0 3 torsion 4 1 3 7 0.000 0.0 1 1.000 180.0 2 0.800 0.0 3 torsion 4 1 3 8 0.000 0.0 1 1.000 180.0 2 0.800 0.0 3 torsion 4 1 3 40 0.000 0.0 1 1.000 180.0 2 0.800 0.0 3 torsion 7 1 3 2 -1.000 0.0 1 2.000 180.0 2 2.000 0.0 3 torsion 7 1 3 5 1.000 0.0 1 2.250 180.0 2 -2.250 0.0 3 torsion 7 1 3 7 -1.000 0.0 1 2.000 180.0 2 2.000 0.0 3 torsion 7 1 3 40 -1.000 0.0 1 2.000 180.0 2 2.000 0.0 3 torsion 40 1 3 2 -1.000 0.0 1 2.000 180.0 2 2.000 0.0 3 torsion 40 1 3 5 1.000 0.0 1 2.250 180.0 2 -2.250 0.0 3 torsion 40 1 3 7 -1.000 0.0 1 2.000 180.0 2 2.000 0.0 3 torsion 3 1 7 3 -1.407 0.0 1 -0.068 180.0 2 0.000 0.0 3 torsion 3 1 7 6 0.000 0.0 1 0.000 180.0 2 -0.126 0.0 3 torsion 3 1 7 7 2.576 0.0 1 1.011 180.0 2 0.825 0.0 3 torsion 3 1 7 8 2.576 0.0 1 1.011 180.0 2 0.825 0.0 3 torsion 3 1 7 30 -0.856 0.0 1 0.048 180.0 2 -1.842 0.0 3 torsion 3 1 7 32 -2.296 0.0 1 -0.249 180.0 2 -0.097 0.0 3 torsion 4 1 7 3 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 4 1 7 6 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 4 1 7 7 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 4 1 7 8 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 4 1 7 30 0.000 0.0 1 8.000 180.0 2 0.000 0.0 3 torsion 4 1 7 32 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 4 1 8 8 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 4 1 8 9 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 39 1 8 8 -0.150 0.0 1 0.550 180.0 2 -0.450 0.0 3 torsion 39 1 8 9 0.000 0.0 1 0.000 180.0 2 -0.126 0.0 3 torsion 4 1 39 1 0.000 0.0 1 4.000 180.0 2 0.000 0.0 3 torsion 8 1 39 1 0.000 0.0 1 4.500 180.0 2 0.000 0.0 3 torsion 3 1 40 6 0.000 0.0 1 0.000 180.0 2 -0.126 0.0 3 torsion 4 1 40 6 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 1 2 3 1 -2.411 0.0 1 -0.587 180.0 2 0.493 0.0 3 torsion 1 2 3 5 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 1 2 3 15 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 6 2 3 1 0.000 0.0 1 0.000 180.0 2 -0.010 0.0 3 torsion 6 2 3 5 0.000 0.0 1 0.000 180.0 2 0.235 0.0 3 torsion 6 2 3 15 0.000 0.0 1 0.000 180.0 2 -0.010 0.0 3 torsion 41 2 3 1 -0.397 0.0 1 2.196 180.0 2 -0.371 0.0 3 torsion 41 2 3 5 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 41 2 3 15 -0.397 0.0 1 2.196 180.0 2 -0.371 0.0 3 torsion 1 2 30 31 -0.059 0.0 1 3.400 180.0 2 -0.045 0.0 3 torsion 6 2 30 31 -0.154 0.0 1 0.044 180.0 2 -0.086 0.0 3 torsion 1 2 32 33 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 1 2 32 34 -0.523 0.0 1 3.984 180.0 2 0.545 0.0 3 torsion 6 2 32 33 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 6 2 32 34 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 3 2 41 42 1.239 0.0 1 -0.405 180.0 2 0.035 0.0 3 torsion 6 2 41 42 0.000 0.0 1 -0.081 180.0 2 0.370 0.0 3 torsion 1 3 7 1 -0.495 0.0 1 3.000 180.0 2 -0.792 0.0 3 torsion 1 3 7 6 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 1 3 7 7 0.929 0.0 1 0.328 180.0 2 0.000 0.0 3 torsion 1 3 7 8 0.929 0.0 1 0.328 180.0 2 0.000 0.0 3 torsion 1 3 7 15 0.476 0.0 1 1.100 180.0 2 -0.160 0.0 3 torsion 1 3 7 16 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 1 3 7 41 -0.397 0.0 1 2.196 180.0 2 -0.371 0.0 3 torsion 5 3 7 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 5 3 7 6 0.000 0.0 1 0.000 180.0 2 0.235 0.0 3 torsion 5 3 7 7 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 5 3 7 8 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 5 3 7 15 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 5 3 7 16 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 5 3 7 41 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 15 3 7 1 -1.804 0.0 1 3.612 180.0 2 -0.196 0.0 3 torsion 15 3 7 6 0.000 0.0 1 0.000 180.0 2 -0.010 0.0 3 torsion 15 3 7 7 0.355 0.0 1 1.478 180.0 2 -0.896 0.0 3 torsion 15 3 7 8 0.355 0.0 1 1.478 180.0 2 -0.896 0.0 3 torsion 15 3 7 15 -2.118 0.0 1 1.173 180.0 2 0.000 0.0 3 torsion 15 3 7 16 2.225 0.0 1 -1.252 180.0 2 -1.067 0.0 3 torsion 15 3 7 41 -0.397 0.0 1 2.196 180.0 2 -0.371 0.0 3 torsion 1 3 8 7 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 1 3 8 8 1.780 0.0 1 1.100 180.0 2 -1.270 0.0 3 torsion 1 3 8 9 0.000 0.0 1 0.000 180.0 2 0.230 0.0 3 torsion 5 3 8 7 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 5 3 8 8 0.454 0.0 1 0.080 180.0 2 -0.310 0.0 3 torsion 5 3 8 9 -0.154 0.0 1 0.044 180.0 2 -0.086 0.0 3 torsion 2 3 15 7 -1.000 0.0 1 2.000 180.0 2 2.000 0.0 3 torsion 2 3 15 16 -1.000 0.0 1 2.000 180.0 2 2.000 0.0 3 torsion 5 3 15 7 1.000 0.0 1 2.250 180.0 2 -2.250 0.0 3 torsion 5 3 15 16 1.000 0.0 1 2.250 180.0 2 -2.250 0.0 3 torsion 7 3 15 7 -1.000 0.0 1 2.000 180.0 2 2.000 0.0 3 torsion 7 3 15 16 -1.000 0.0 1 2.000 180.0 2 2.000 0.0 3 torsion 40 3 15 7 -1.000 0.0 1 2.000 180.0 2 2.000 0.0 3 torsion 40 3 15 16 -1.000 0.0 1 2.000 180.0 2 2.000 0.0 3 torsion 1 3 40 6 0.000 0.0 1 0.000 180.0 2 -0.010 0.0 3 torsion 5 3 40 6 0.000 0.0 1 0.000 180.0 2 0.235 0.0 3 torsion 15 3 40 6 0.000 0.0 1 0.000 180.0 2 -0.010 0.0 3 torsion 1 7 7 6 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 1 7 7 8 0.800 0.0 1 1.000 180.0 2 0.500 0.0 3 torsion 1 7 7 10 -1.500 0.0 1 0.720 180.0 2 1.260 0.0 3 torsion 3 7 7 6 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 3 7 7 8 0.650 0.0 1 1.025 180.0 2 0.120 0.0 3 torsion 3 7 7 10 -3.490 0.0 1 2.340 180.0 2 0.000 0.0 3 torsion 6 7 7 6 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 6 7 7 8 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 6 7 7 10 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 6 7 7 30 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 6 7 7 41 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 8 7 7 30 0.650 0.0 1 1.025 180.0 2 0.120 0.0 3 torsion 8 7 7 41 0.800 0.0 1 1.000 180.0 2 0.500 0.0 3 torsion 10 7 7 29 -3.490 0.0 1 2.340 180.0 2 0.000 0.0 3 torsion 10 7 7 30 -3.490 0.0 1 2.340 180.0 2 0.000 0.0 3 torsion 10 7 7 41 -1.500 0.0 1 0.720 180.0 2 1.260 0.0 3 torsion 1 7 8 3 -0.933 0.0 1 -0.929 180.0 2 0.153 0.0 3 torsion 1 7 8 7 0.902 0.0 1 0.520 180.0 2 1.000 0.0 3 torsion 1 7 8 8 -2.280 0.0 1 0.970 180.0 2 3.700 0.0 3 torsion 1 7 8 9 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 torsion 1 7 8 10 0.630 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 1 7 8 12 -0.160 0.0 1 1.080 180.0 2 -1.520 0.0 3 torsion 1 7 8 14 -6.170 0.0 1 1.440 180.0 2 0.760 0.0 3 torsion 1 7 8 17 -1.470 0.0 1 1.530 180.0 2 0.260 0.0 3 torsion 1 7 8 22 -1.000 0.0 1 0.100 180.0 2 1.150 0.0 3 torsion 1 7 8 26 0.730 0.0 1 1.780 180.0 2 0.000 0.0 3 torsion 1 7 8 30 -2.900 0.0 1 1.800 180.0 2 0.000 0.0 3 torsion 1 7 8 32 -4.150 0.0 1 2.060 180.0 2 0.000 0.0 3 torsion 1 7 8 36 -0.500 0.0 1 0.800 180.0 2 -1.110 0.0 3 torsion 3 7 8 3 -0.911 0.0 1 3.500 180.0 2 -0.198 0.0 3 torsion 3 7 8 7 0.740 0.0 1 0.270 180.0 2 -1.316 0.0 3 torsion 3 7 8 8 0.160 0.0 1 1.655 180.0 2 -2.520 0.0 3 torsion 3 7 8 9 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 torsion 3 7 8 10 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 3 7 8 12 -1.010 0.0 1 1.230 180.0 2 1.000 0.0 3 torsion 3 7 8 14 -5.680 0.0 1 3.000 180.0 2 1.000 0.0 3 torsion 3 7 8 17 1.020 0.0 1 1.150 180.0 2 -0.300 0.0 3 torsion 3 7 8 22 0.700 0.0 1 1.800 180.0 2 0.000 0.0 3 torsion 3 7 8 26 -0.660 0.0 1 0.200 180.0 2 0.000 0.0 3 torsion 3 7 8 30 -6.950 0.0 1 -1.150 180.0 2 0.000 0.0 3 torsion 3 7 8 32 1.000 0.0 1 -0.130 180.0 2 0.000 0.0 3 torsion 3 7 8 36 -1.810 0.0 1 0.150 180.0 2 1.000 0.0 3 torsion 6 7 8 3 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 torsion 6 7 8 7 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 6 7 8 8 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 6 7 8 9 0.000 0.0 1 0.000 180.0 2 0.299 0.0 3 torsion 6 7 8 9 0.000 0.0 1 0.000 180.0 2 0.299 0.0 3 torsion 6 7 8 9 0.000 0.0 1 0.000 180.0 2 0.299 0.0 3 torsion 6 7 8 10 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 6 7 8 12 0.000 0.0 1 0.000 180.0 2 0.475 0.0 3 torsion 6 7 8 14 0.000 0.0 1 0.000 180.0 2 0.475 0.0 3 torsion 6 7 8 17 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 torsion 6 7 8 22 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 6 7 8 26 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 torsion 6 7 8 30 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 torsion 6 7 8 32 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 torsion 6 7 8 36 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 7 7 8 8 -0.640 0.0 1 0.360 180.0 2 -0.089 0.0 3 torsion 7 7 8 9 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 8 7 8 7 -0.083 0.0 1 -0.045 180.0 2 -0.120 0.0 3 torsion 8 7 8 8 -0.640 0.0 1 0.360 180.0 2 -0.089 0.0 3 torsion 8 7 8 9 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 8 7 8 9 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 8 7 8 9 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 10 7 8 9 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 30 7 8 3 0.000 0.0 1 0.000 180.0 2 0.100 0.0 3 torsion 30 7 8 7 0.740 0.0 1 0.270 180.0 2 -1.316 0.0 3 torsion 30 7 8 8 1.190 0.0 1 0.520 180.0 2 0.520 0.0 3 torsion 30 7 8 8 1.190 0.0 1 0.520 180.0 2 0.520 0.0 3 torsion 30 7 8 9 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 torsion 30 7 8 9 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 torsion 30 7 8 10 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 30 7 8 12 -1.010 0.0 1 1.230 180.0 2 1.000 0.0 3 torsion 30 7 8 14 -5.680 0.0 1 3.000 180.0 2 1.000 0.0 3 torsion 30 7 8 17 1.020 0.0 1 1.150 180.0 2 -0.300 0.0 3 torsion 30 7 8 22 0.700 0.0 1 1.800 180.0 2 0.000 0.0 3 torsion 30 7 8 26 -0.660 0.0 1 0.200 180.0 2 0.000 0.0 3 torsion 30 7 8 30 -2.450 0.0 1 1.688 180.0 2 0.000 0.0 3 torsion 30 7 8 32 1.000 0.0 1 -0.130 180.0 2 0.000 0.0 3 torsion 30 7 8 36 -1.810 0.0 1 0.150 180.0 2 1.000 0.0 3 torsion 32 7 8 9 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 torsion 41 7 8 3 -3.000 0.0 1 0.500 180.0 2 0.100 0.0 3 torsion 41 7 8 7 0.902 0.0 1 0.520 180.0 2 1.000 0.0 3 torsion 41 7 8 8 -0.513 0.0 1 0.568 180.0 2 -0.750 0.0 3 torsion 41 7 8 9 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 torsion 41 7 8 10 0.630 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 41 7 8 12 -0.160 0.0 1 1.080 180.0 2 -1.520 0.0 3 torsion 41 7 8 14 -6.170 0.0 1 1.440 180.0 2 0.760 0.0 3 torsion 41 7 8 17 -1.470 0.0 1 1.530 180.0 2 0.260 0.0 3 torsion 41 7 8 22 -1.000 0.0 1 0.100 180.0 2 1.150 0.0 3 torsion 41 7 8 26 0.730 0.0 1 1.780 180.0 2 0.000 0.0 3 torsion 41 7 8 30 -4.150 0.0 1 2.060 180.0 2 0.000 0.0 3 torsion 41 7 8 32 -3.400 0.0 1 0.900 180.0 2 0.000 0.0 3 torsion 41 7 8 36 -0.500 0.0 1 0.800 180.0 2 -1.110 0.0 3 torsion 6 7 10 11 0.000 0.0 1 0.000 180.0 2 0.250 0.0 3 torsion 7 7 10 11 -0.266 0.0 1 -0.910 180.0 2 0.322 0.0 3 torsion 8 7 10 11 -0.266 0.0 1 -0.910 180.0 2 0.322 0.0 3 torsion 3 7 15 3 0.000 0.0 1 0.000 180.0 2 0.030 0.0 3 torsion 3 7 15 16 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 6 7 15 3 0.000 0.0 1 0.000 180.0 2 -0.126 0.0 3 torsion 6 7 15 16 0.000 0.0 1 0.000 180.0 2 -0.126 0.0 3 torsion 16 7 15 3 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 16 7 15 16 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 30 7 15 3 0.000 0.0 1 0.000 180.0 2 0.030 0.0 3 torsion 30 7 15 16 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 3 7 16 9 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 torsion 3 7 16 16 1.660 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 6 7 16 9 0.000 0.0 1 0.000 180.0 2 0.299 0.0 3 torsion 6 7 16 16 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 15 7 16 9 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 torsion 15 7 16 16 0.201 0.0 1 0.687 180.0 2 0.000 0.0 3 torsion 30 7 16 9 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 torsion 30 7 16 16 1.660 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 41 7 16 9 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 torsion 41 7 16 16 1.660 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 1 7 30 31 -0.059 0.0 1 1.900 180.0 2 -0.045 0.0 3 torsion 6 7 30 31 -0.154 0.0 1 0.044 180.0 2 -0.086 0.0 3 torsion 7 7 30 31 0.000 0.0 1 -0.489 180.0 2 0.000 0.0 3 torsion 8 7 30 31 0.000 0.0 1 -0.489 180.0 2 0.000 0.0 3 torsion 15 7 30 31 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 16 7 30 31 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 1 7 32 33 0.000 0.0 1 -0.136 180.0 2 0.000 0.0 3 torsion 1 7 32 34 0.000 0.0 1 1.645 180.0 2 0.000 0.0 3 torsion 6 7 32 33 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 6 7 32 34 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 8 7 32 33 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 8 7 32 34 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 3 7 41 16 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 3 7 41 42 1.239 0.0 1 -0.405 180.0 2 0.035 0.0 3 torsion 6 7 41 16 0.000 0.0 1 0.000 180.0 2 -0.126 0.0 3 torsion 6 7 41 42 0.000 0.0 1 -0.081 180.0 2 0.370 0.0 3 torsion 7 7 41 42 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 8 7 41 42 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 16 7 41 16 2.216 0.0 1 0.215 180.0 2 0.810 0.0 3 torsion 16 7 41 42 -0.939 0.0 1 -0.159 180.0 2 0.246 0.0 3 torsion 1 8 8 8 0.000 0.0 1 3.000 180.0 2 0.000 0.0 3 torsion 1 8 8 9 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 3 8 8 7 0.750 0.0 1 -1.240 180.0 2 -0.190 0.0 3 torsion 3 8 8 9 0.000 0.0 1 0.000 180.0 2 0.380 0.0 3 torsion 7 8 8 8 -1.100 0.0 1 -1.150 180.0 2 0.000 0.0 3 torsion 7 8 8 9 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 7 8 8 12 -0.500 0.0 1 -0.310 180.0 2 -1.290 0.0 3 torsion 7 8 8 30 -2.500 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 7 8 8 32 1.000 0.0 1 1.000 180.0 2 0.500 0.0 3 torsion 8 8 8 9 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 9 8 8 9 0.000 0.0 1 0.000 180.0 2 0.299 0.0 3 torsion 9 8 8 12 0.000 0.0 1 0.000 180.0 2 0.475 0.0 3 torsion 9 8 8 30 0.000 0.0 1 0.000 180.0 2 1.300 0.0 3 torsion 9 8 8 32 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3 torsion 9 8 8 36 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 9 8 8 37 0.000 0.0 1 0.000 180.0 2 0.374 0.0 3 torsion 36 8 8 37 -0.800 0.0 1 1.064 180.0 2 0.000 0.0 3 torsion 7 8 10 11 3.000 0.0 1 -1.000 180.0 2 0.000 0.0 3 torsion 9 8 10 11 0.000 0.0 1 0.000 180.0 2 0.250 0.0 3 torsion 7 8 12 12 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 7 8 12 13 0.042 0.0 1 -0.091 180.0 2 0.068 0.0 3 torsion 8 8 12 8 -1.250 0.0 1 0.170 180.0 2 0.509 0.0 3 torsion 9 8 12 8 0.000 0.0 1 0.000 180.0 2 0.660 0.0 3 torsion 9 8 12 12 0.300 0.0 1 0.000 180.0 2 0.600 0.0 3 torsion 9 8 12 13 0.000 0.0 1 0.000 180.0 2 0.343 0.0 3 torsion 7 8 17 17 0.000 0.0 1 -0.574 180.0 2 0.000 0.0 3 torsion 9 8 17 17 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 7 8 22 22 0.000 0.0 1 -0.450 180.0 2 0.000 0.0 3 torsion 9 8 22 22 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 7 8 26 24 -2.000 0.0 1 0.000 180.0 2 1.000 0.0 3 torsion 7 8 26 26 0.350 0.0 1 0.280 180.0 2 0.000 0.0 3 torsion 7 8 26 29 -1.520 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion 9 8 26 24 0.000 0.0 1 0.000 180.0 2 0.299 0.0 3 torsion 9 8 26 26 0.000 0.0 1 0.000 180.0 2 0.299 0.0 3 torsion 9 8 26 29 0.000 0.0 1 0.000 180.0 2 0.299 0.0 3 torsion 7 8 30 31 0.000 0.0 1 1.700 180.0 2 0.000 0.0 3 torsion 8 8 30 31 0.000 0.0 1 1.460 180.0 2 0.000 0.0 3 torsion 9 8 30 31 -0.154 0.0 1 0.044 180.0 2 -0.086 0.0 3 torsion 7 8 32 33 -0.092 0.0 1 1.124 180.0 2 0.435 0.0 3 torsion 7 8 32 34 0.677 0.0 1 1.020 180.0 2 0.163 0.0 3 torsion 8 8 32 33 0.000 0.0 1 0.800 180.0 2 0.000 0.0 3 torsion 8 8 32 34 0.000 0.0 1 0.800 180.0 2 0.000 0.0 3 torsion 9 8 32 33 -0.154 0.0 1 0.044 180.0 2 -0.086 0.0 3 torsion 9 8 32 34 0.250 0.0 1 0.850 180.0 2 0.000 0.0 3 torsion 7 8 36 8 1.000 0.0 1 0.070 180.0 2 -1.220 0.0 3 torsion 7 8 36 9 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 8 8 36 8 0.000 0.0 1 0.000 180.0 2 -1.000 0.0 3 torsion 8 8 36 9 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 9 8 36 8 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 9 8 36 9 0.000 0.0 1 0.000 180.0 2 0.299 0.0 3 torsion 37 8 36 8 -0.800 0.0 1 1.064 180.0 2 0.000 0.0 3 torsion 37 8 36 9 0.000 0.0 1 0.000 180.0 2 0.374 0.0 3 torsion 8 8 37 38 0.000 0.0 1 0.000 180.0 2 -0.110 0.0 3 torsion 9 8 37 38 0.000 0.0 1 -0.081 180.0 2 0.370 0.0 3 torsion 36 8 37 38 0.000 0.0 1 0.000 180.0 2 -0.110 0.0 3 torsion 8 12 12 8 -0.940 0.0 1 -6.900 180.0 2 0.300 0.0 3 torsion 3 15 16 6 0.000 0.0 1 0.000 180.0 2 -0.126 0.0 3 torsion 3 15 16 16 -2.216 0.0 1 0.215 180.0 2 -0.810 0.0 3 torsion 7 15 16 6 0.000 0.0 1 0.000 180.0 2 -0.126 0.0 3 torsion 7 15 16 16 -2.216 0.0 1 0.215 180.0 2 -0.810 0.0 3 torsion 6 16 16 9 0.000 0.0 1 0.000 180.0 2 0.299 0.0 3 torsion 6 16 16 16 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 7 16 16 9 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 7 16 16 16 -2.000 0.0 1 -0.500 180.0 2 0.000 0.0 3 torsion 9 16 16 9 0.000 0.0 1 0.000 180.0 2 0.299 0.0 3 torsion 9 16 16 15 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 torsion 9 16 16 16 0.000 0.0 1 0.000 180.0 2 0.341 0.0 3 torsion 9 16 16 41 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 torsion 15 16 16 16 -2.201 0.0 1 0.687 180.0 2 0.000 0.0 3 torsion 16 16 16 41 -0.201 0.0 1 0.687 180.0 2 0.000 0.0 3 torsion 6 16 41 7 0.000 0.0 1 0.000 180.0 2 -0.126 0.0 3 torsion 6 16 41 42 0.000 0.0 1 -0.014 180.0 2 0.295 0.0 3 torsion 16 16 41 7 2.216 0.0 1 0.215 180.0 2 0.810 0.0 3 torsion 16 16 41 42 -0.939 0.0 1 -0.159 180.0 2 0.246 0.0 3 torsion 8 17 17 17 -0.610 0.0 1 4.212 180.0 2 0.000 0.0 3 torsion 8 17 17 18 0.000 0.0 1 4.104 180.0 2 0.000 0.0 3 torsion 17 17 17 17 -0.670 0.0 1 4.004 180.0 2 0.000 0.0 3 torsion 17 17 17 18 0.550 0.0 1 4.534 180.0 2 -0.550 0.0 3 torsion 17 17 17 19 0.000 0.0 1 4.470 180.0 2 0.000 0.0 3 torsion 17 17 17 21 0.000 0.0 1 4.470 180.0 2 0.000 0.0 3 torsion 18 17 17 18 0.000 0.0 1 4.072 180.0 2 0.000 0.0 3 torsion 18 17 17 19 0.000 0.0 1 4.470 180.0 2 0.000 0.0 3 torsion 18 17 17 21 0.000 0.0 1 4.470 180.0 2 0.000 0.0 3 torsion 17 17 19 20 0.000 0.0 1 2.300 180.0 2 0.000 0.0 3 torsion 8 22 22 22 -0.610 0.0 1 4.212 180.0 2 0.000 0.0 3 torsion 8 22 22 23 0.000 0.0 1 3.104 180.0 2 0.000 0.0 3 torsion 8 22 22 24 0.000 0.0 1 4.470 180.0 2 0.000 0.0 3 torsion 22 22 22 22 -0.670 0.0 1 4.304 180.0 2 0.000 0.0 3 torsion 22 22 22 23 0.250 0.0 1 4.534 180.0 2 -0.550 0.0 3 torsion 22 22 22 24 0.000 0.0 1 4.470 180.0 2 0.000 0.0 3 torsion 23 22 22 23 0.000 0.0 1 3.072 180.0 2 0.000 0.0 3 torsion 23 22 22 24 -3.150 0.0 1 3.000 180.0 2 0.000 0.0 3 torsion 22 22 24 22 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 torsion 22 22 24 25 -3.150 0.0 1 5.000 180.0 2 0.000 0.0 3 torsion 23 22 24 22 -6.650 0.0 1 10.000 180.0 2 0.000 0.0 3 torsion 23 22 24 25 -0.530 0.0 1 3.000 180.0 2 0.000 0.0 3 torsion 25 24 26 8 0.000 0.0 1 4.104 180.0 2 0.000 0.0 3 torsion 25 24 26 26 -3.150 0.0 1 3.000 180.0 2 0.000 0.0 3 torsion 25 24 26 27 -0.530 0.0 1 3.000 180.0 2 0.000 0.0 3 torsion 28 24 26 8 0.000 0.0 1 4.212 180.0 2 0.000 0.0 3 torsion 28 24 26 26 0.000 0.0 1 6.000 180.0 2 0.000 0.0 3 torsion 28 24 26 27 0.000 0.0 1 3.000 180.0 2 0.000 0.0 3 torsion 25 24 28 24 -2.744 0.0 1 3.000 180.0 2 0.000 0.0 3 torsion 25 24 28 27 -0.530 0.0 1 3.000 180.0 2 0.000 0.0 3 torsion 25 24 28 29 -2.744 0.0 1 3.000 180.0 2 0.000 0.0 3 torsion 26 24 28 24 0.000 0.0 1 8.000 180.0 2 0.000 0.0 3 torsion 26 24 28 27 0.000 0.0 1 3.000 180.0 2 0.000 0.0 3 torsion 26 24 28 29 0.000 0.0 1 8.000 180.0 2 0.000 0.0 3 torsion 8 26 26 24 0.000 0.0 1 4.212 180.0 2 0.000 0.0 3 torsion 8 26 26 27 0.000 0.0 1 4.102 180.0 2 0.000 0.0 3 torsion 8 26 26 29 0.000 0.0 1 4.212 180.0 2 0.000 0.0 3 torsion 24 26 26 24 0.900 0.0 1 8.000 180.0 2 0.000 0.0 3 torsion 24 26 26 27 0.755 0.0 1 3.000 180.0 2 0.000 0.0 3 torsion 24 26 26 29 0.900 0.0 1 8.000 180.0 2 0.000 0.0 3 torsion 27 26 26 29 0.755 0.0 1 3.000 180.0 2 0.000 0.0 3 torsion 8 26 29 28 0.000 0.0 1 4.212 180.0 2 0.000 0.0 3 torsion 26 26 29 28 0.000 0.0 1 6.000 180.0 2 0.000 0.0 3 torsion 27 26 29 28 0.000 0.0 1 3.000 180.0 2 0.000 0.0 3 torsion 24 28 29 26 0.000 0.0 1 8.000 180.0 2 0.000 0.0 3 torsion 27 28 29 26 0.000 0.0 1 3.000 180.0 2 0.000 0.0 3 torsion 2 32 34 35 0.000 0.0 1 5.390 180.0 2 1.230 0.0 3 torsion 7 32 34 35 0.000 0.0 1 5.390 180.0 2 1.230 0.0 3 torsion 8 32 34 35 0.000 0.0 1 5.390 180.0 2 1.230 0.0 3 torsion 33 32 34 35 -1.200 0.0 1 5.390 180.0 2 0.400 0.0 3 ############################# ## ## ## Pi-Torsion Parameters ## ## ## ############################# pitors 1 3 6.85 pitors 3 15 6.85 pitors 17 17 6.85 pitors 22 22 6.85 pitors 22 24 6.85 pitors 24 26 6.85 pitors 24 28 6.85 pitors 26 26 6.85 ################################## ## ## ## Torsion-Torsion Parameters ## ## ## ################################## tortors 3 1 2 3 1 25 25 -180.0 -180.0 -0.41030 -165.0 -180.0 -0.67838 -150.0 -180.0 -1.32284 -135.0 -180.0 -2.35817 -120.0 -180.0 -3.54199 -105.0 -180.0 -4.74648 -90.0 -180.0 -5.73614 -75.0 -180.0 -6.35918 -60.0 -180.0 -6.35328 -45.0 -180.0 -5.25542 -30.0 -180.0 -3.16646 -15.0 -180.0 -1.09098 0.0 -180.0 1.38787 15.0 -180.0 -1.09098 30.0 -180.0 -3.16646 45.0 -180.0 -5.25542 60.0 -180.0 -6.35328 75.0 -180.0 -6.36063 90.0 -180.0 -5.73614 105.0 -180.0 -4.74648 120.0 -180.0 -3.54199 135.0 -180.0 -2.35817 150.0 -180.0 -1.32284 165.0 -180.0 -0.67848 180.0 -180.0 -0.41030 -180.0 -165.0 -0.41413 -165.0 -165.0 -0.90052 -150.0 -165.0 -1.68618 -135.0 -165.0 -2.64483 -120.0 -165.0 -3.73864 -105.0 -165.0 -4.87747 -90.0 -165.0 -5.89392 -75.0 -165.0 -6.55928 -60.0 -165.0 -6.49751 -45.0 -165.0 -5.22067 -30.0 -165.0 -2.94954 -15.0 -165.0 -0.08376 0.0 -165.0 0.32603 15.0 -165.0 -1.02648 30.0 -165.0 -3.08291 45.0 -165.0 -4.96362 60.0 -165.0 -5.89147 75.0 -165.0 -5.87160 90.0 -165.0 -5.26258 105.0 -165.0 -4.24252 120.0 -165.0 -3.01099 135.0 -165.0 -1.80556 150.0 -165.0 -0.85965 165.0 -165.0 -0.38834 180.0 -165.0 -0.41413 -180.0 -150.0 -0.34547 -165.0 -150.0 -0.91119 -150.0 -150.0 -1.61128 -135.0 -150.0 -2.39523 -120.0 -150.0 -3.36374 -105.0 -150.0 -4.51571 -90.0 -150.0 -5.59097 -75.0 -150.0 -6.28648 -60.0 -150.0 -4.83329 -45.0 -150.0 -4.62413 -30.0 -150.0 -1.82424 -15.0 -150.0 1.19531 0.0 -150.0 0.65267 15.0 -150.0 -0.72633 30.0 -150.0 -2.63732 45.0 -150.0 -4.32002 60.0 -150.0 -5.24397 75.0 -150.0 -5.11358 90.0 -150.0 -4.47212 105.0 -150.0 -3.43923 120.0 -150.0 -2.21872 135.0 -150.0 -1.09788 150.0 -150.0 -0.34336 165.0 -150.0 -0.09173 180.0 -150.0 -0.34547 -180.0 -135.0 0.11457 -165.0 -135.0 -0.35767 -150.0 -135.0 -0.86749 -135.0 -135.0 -1.46100 -120.0 -135.0 -2.41372 -105.0 -135.0 -3.62454 -90.0 -135.0 -4.73673 -75.0 -135.0 -5.35985 -60.0 -135.0 -4.95241 -45.0 -135.0 -2.94717 -30.0 -135.0 1.07212 -15.0 -135.0 1.77725 0.0 -135.0 1.29409 15.0 -135.0 -0.05629 30.0 -135.0 -1.78936 45.0 -135.0 -3.31494 60.0 -135.0 -4.15255 75.0 -135.0 -4.14746 90.0 -135.0 -3.48022 105.0 -135.0 -2.57323 120.0 -135.0 -1.38411 135.0 -135.0 -0.26179 150.0 -135.0 0.30336 165.0 -135.0 0.39970 180.0 -135.0 0.11457 -180.0 -120.0 0.94012 -165.0 -120.0 0.68619 -150.0 -120.0 0.39856 -135.0 -120.0 -0.12378 -120.0 -120.0 -1.19823 -105.0 -120.0 -2.58368 -90.0 -120.0 -3.50628 -75.0 -120.0 -3.94292 -60.0 -120.0 -3.11264 -45.0 -120.0 -0.39145 -30.0 -120.0 2.74127 -15.0 -120.0 2.72433 0.0 -120.0 2.15560 15.0 -120.0 1.05732 30.0 -120.0 -0.33944 45.0 -120.0 -1.83317 60.0 -120.0 -2.90987 75.0 -120.0 -3.08145 90.0 -120.0 -2.45277 105.0 -120.0 -1.58770 120.0 -120.0 -0.45731 135.0 -120.0 0.42439 150.0 -120.0 0.94220 165.0 -120.0 1.14392 180.0 -120.0 0.94012 -180.0 -105.0 1.95487 -165.0 -105.0 1.89156 -150.0 -105.0 1.74844 -135.0 -105.0 1.09827 -120.0 -105.0 -0.23826 -105.0 -105.0 -1.44395 -90.0 -105.0 -2.34446 -75.0 -105.0 -2.46809 -60.0 -105.0 -1.05326 -45.0 -105.0 1.58629 -30.0 -105.0 3.35587 -15.0 -105.0 3.45811 0.0 -105.0 3.26537 15.0 -105.0 2.74774 30.0 -105.0 1.68837 45.0 -105.0 0.01966 60.0 -105.0 -1.39335 75.0 -105.0 -2.00163 90.0 -105.0 -1.75770 105.0 -105.0 -0.79043 120.0 -105.0 0.25289 135.0 -105.0 1.13229 150.0 -105.0 1.65296 165.0 -105.0 1.97933 180.0 -105.0 1.95487 -180.0 -90.0 2.74331 -165.0 -90.0 2.74719 -150.0 -90.0 2.65974 -135.0 -90.0 1.59315 -120.0 -90.0 0.44790 -105.0 -90.0 -0.60009 -90.0 -90.0 -1.24738 -75.0 -90.0 -1.04633 -60.0 -90.0 0.58385 -45.0 -90.0 2.52552 -30.0 -90.0 3.38653 -15.0 -90.0 3.96283 0.0 -90.0 4.49297 15.0 -90.0 4.70534 30.0 -90.0 3.46788 45.0 -90.0 1.48393 60.0 -90.0 -0.28428 75.0 -90.0 -1.08330 90.0 -90.0 -1.11458 105.0 -90.0 -0.40231 120.0 -90.0 0.62829 135.0 -90.0 1.55961 150.0 -90.0 2.27845 165.0 -90.0 2.58188 180.0 -90.0 2.74331 -180.0 -75.0 2.77751 -165.0 -75.0 2.93260 -150.0 -75.0 2.55866 -135.0 -75.0 1.67411 -120.0 -75.0 0.59458 -105.0 -75.0 -0.17181 -90.0 -75.0 -0.48079 -75.0 -75.0 0.13385 -60.0 -75.0 0.58100 -45.0 -75.0 1.59048 -30.0 -75.0 2.74299 -15.0 -75.0 4.08945 0.0 -75.0 5.44049 15.0 -75.0 5.94623 30.0 -75.0 4.24483 45.0 -75.0 1.98183 60.0 -75.0 0.19866 75.0 -75.0 -0.95978 90.0 -75.0 -1.06248 105.0 -75.0 -0.43657 120.0 -75.0 0.70386 135.0 -75.0 1.60144 150.0 -75.0 2.18997 165.0 -75.0 2.53115 180.0 -75.0 2.77751 -180.0 -60.0 1.75943 -165.0 -60.0 1.79376 -150.0 -60.0 1.47445 -135.0 -60.0 0.86891 -120.0 -60.0 0.19601 -105.0 -60.0 -0.17426 -90.0 -60.0 -1.15692 -75.0 -60.0 -1.49008 -60.0 -60.0 -1.04413 -45.0 -60.0 0.12852 -30.0 -60.0 1.88655 -15.0 -60.0 3.95852 0.0 -60.0 5.75134 15.0 -60.0 5.31247 30.0 -60.0 3.44060 45.0 -60.0 1.34478 60.0 -60.0 -0.72835 75.0 -60.0 -1.64238 90.0 -60.0 -1.77690 105.0 -60.0 -1.08681 120.0 -60.0 -0.01095 135.0 -60.0 0.71371 150.0 -60.0 1.18267 165.0 -60.0 1.51071 180.0 -60.0 1.75943 -180.0 -45.0 -0.27385 -165.0 -45.0 -0.26642 -150.0 -45.0 -0.36210 -135.0 -45.0 -0.41066 -120.0 -45.0 -1.56700 -105.0 -45.0 -2.58412 -90.0 -45.0 -3.31258 -75.0 -45.0 -3.48890 -60.0 -45.0 -2.82064 -45.0 -45.0 -1.15606 -30.0 -45.0 1.17974 -15.0 -45.0 3.56251 0.0 -45.0 4.30355 15.0 -45.0 3.60759 30.0 -45.0 1.82415 45.0 -45.0 -0.23679 60.0 -45.0 -2.11507 75.0 -45.0 -3.16780 90.0 -45.0 -3.23377 105.0 -45.0 -2.42000 120.0 -45.0 -1.56505 135.0 -45.0 -1.07442 150.0 -45.0 -0.69448 165.0 -45.0 -0.39460 180.0 -45.0 -0.27385 -180.0 -30.0 -2.58364 -165.0 -30.0 -2.46195 -150.0 -30.0 -2.03519 -135.0 -30.0 -3.32323 -120.0 -30.0 -4.15184 -105.0 -30.0 -4.81605 -90.0 -30.0 -5.26121 -75.0 -30.0 -5.15227 -60.0 -30.0 -4.04692 -45.0 -30.0 -2.03450 -30.0 -30.0 0.38805 -15.0 -30.0 1.96687 0.0 -30.0 2.31228 15.0 -30.0 1.55486 30.0 -30.0 -0.06654 45.0 -30.0 -2.00755 60.0 -30.0 -3.84363 75.0 -30.0 -4.69688 90.0 -30.0 -4.67162 105.0 -30.0 -4.04096 120.0 -30.0 -3.61554 135.0 -30.0 -3.21036 150.0 -30.0 -2.88548 165.0 -30.0 -2.68532 180.0 -30.0 -2.58364 -180.0 -15.0 -4.27536 -165.0 -15.0 -3.60137 -150.0 -15.0 -4.68528 -135.0 -15.0 -5.26619 -120.0 -15.0 -5.75171 -105.0 -15.0 -6.18609 -90.0 -15.0 -6.40257 -75.0 -15.0 -5.99165 -60.0 -15.0 -4.68897 -45.0 -15.0 -2.79424 -30.0 -15.0 -0.88273 -15.0 -15.0 0.42755 0.0 -15.0 0.73235 15.0 -15.0 0.05777 30.0 -15.0 -1.33943 45.0 -15.0 -3.22837 60.0 -15.0 -4.85236 75.0 -15.0 -5.72489 90.0 -15.0 -5.75813 105.0 -15.0 -5.59602 120.0 -15.0 -5.30079 135.0 -15.0 -4.95535 150.0 -15.0 -4.67044 165.0 -15.0 -4.46238 180.0 -15.0 -4.27536 -180.0 0.0 -4.22230 -165.0 0.0 -5.04625 -150.0 0.0 -5.41586 -135.0 0.0 -5.74456 -120.0 0.0 -6.10583 -105.0 0.0 -6.42560 -90.0 0.0 -6.50266 -75.0 0.0 -6.06098 -60.0 0.0 -5.05604 -45.0 0.0 -3.40770 -30.0 0.0 -1.55029 -15.0 0.0 -0.29366 0.0 0.0 0.07505 15.0 0.0 -0.34966 30.0 0.0 -1.55069 45.0 0.0 -3.40780 60.0 0.0 -5.05604 75.0 0.0 -6.06088 90.0 0.0 -6.50276 105.0 0.0 -6.42560 120.0 0.0 -6.10583 135.0 0.0 -5.74466 150.0 0.0 -5.41586 165.0 0.0 -5.04645 180.0 0.0 -4.22230 -180.0 15.0 -4.27526 -165.0 15.0 -4.46238 -150.0 15.0 -4.67044 -135.0 15.0 -4.95535 -120.0 15.0 -5.30069 -105.0 15.0 -5.59602 -90.0 15.0 -5.75823 -75.0 15.0 -5.72479 -60.0 15.0 -4.85236 -45.0 15.0 -3.22837 -30.0 15.0 -1.33903 -15.0 15.0 0.05777 0.0 15.0 0.73245 15.0 15.0 0.42655 30.0 15.0 -0.88283 45.0 15.0 -2.79424 60.0 15.0 -4.68897 75.0 15.0 -5.99165 90.0 15.0 -6.40257 105.0 15.0 -6.18609 120.0 15.0 -5.75161 135.0 15.0 -5.26619 150.0 15.0 -4.68528 165.0 15.0 -3.60147 180.0 15.0 -4.27526 -180.0 30.0 -2.58364 -165.0 30.0 -2.68532 -150.0 30.0 -2.88548 -135.0 30.0 -3.21036 -120.0 30.0 -3.61554 -105.0 30.0 -4.04096 -90.0 30.0 -4.67162 -75.0 30.0 -4.69688 -60.0 30.0 -3.84373 -45.0 30.0 -2.00765 -30.0 30.0 -0.06654 -15.0 30.0 1.55486 0.0 30.0 2.31188 15.0 30.0 1.95817 30.0 30.0 0.38855 45.0 30.0 -2.03450 60.0 30.0 -4.04682 75.0 30.0 -5.15227 90.0 30.0 -5.26121 105.0 30.0 -4.81605 120.0 30.0 -4.15184 135.0 30.0 -3.32353 150.0 30.0 -2.03519 165.0 30.0 -2.46185 180.0 30.0 -2.58364 -180.0 45.0 -0.27385 -165.0 45.0 -0.39460 -150.0 45.0 -0.69448 -135.0 45.0 -1.07442 -120.0 45.0 -1.56505 -105.0 45.0 -2.42000 -90.0 45.0 -3.23377 -75.0 45.0 -3.16790 -60.0 45.0 -2.11507 -45.0 45.0 -0.23679 -30.0 45.0 1.82415 -15.0 45.0 3.60759 0.0 45.0 4.30295 15.0 45.0 3.56251 30.0 45.0 1.17974 45.0 45.0 -1.15606 60.0 45.0 -2.82064 75.0 45.0 -3.48890 90.0 45.0 -3.31258 105.0 45.0 -2.58412 120.0 45.0 -1.56700 135.0 45.0 -0.41066 150.0 45.0 -0.36210 165.0 45.0 -0.26642 180.0 45.0 -0.27385 -180.0 60.0 1.75943 -165.0 60.0 1.51071 -150.0 60.0 1.18267 -135.0 60.0 0.71371 -120.0 60.0 -0.01095 -105.0 60.0 -1.08681 -90.0 60.0 -1.77710 -75.0 60.0 -1.64228 -60.0 60.0 -0.72835 -45.0 60.0 1.34478 -30.0 60.0 3.44050 -15.0 60.0 5.31247 0.0 60.0 5.75134 15.0 60.0 3.95862 30.0 60.0 1.88655 45.0 60.0 0.12792 60.0 60.0 -1.04403 75.0 60.0 -1.49008 90.0 60.0 -1.15692 105.0 60.0 -0.17426 120.0 60.0 0.19601 135.0 60.0 0.86911 150.0 60.0 1.47445 165.0 60.0 1.79366 180.0 60.0 1.75943 -180.0 75.0 2.77761 -165.0 75.0 2.53125 -150.0 75.0 2.18987 -135.0 75.0 1.60144 -120.0 75.0 0.70386 -105.0 75.0 -0.43657 -90.0 75.0 -1.06238 -75.0 75.0 -0.95978 -60.0 75.0 0.19866 -45.0 75.0 1.98173 -30.0 75.0 4.24483 -15.0 75.0 5.94623 0.0 75.0 5.44049 15.0 75.0 4.08935 30.0 75.0 2.74299 45.0 75.0 1.59048 60.0 75.0 0.58100 75.0 75.0 0.13385 90.0 75.0 -0.48069 105.0 75.0 -0.17171 120.0 75.0 0.59458 135.0 75.0 1.67401 150.0 75.0 2.55876 165.0 75.0 2.93260 180.0 75.0 2.77761 -180.0 90.0 2.74331 -165.0 90.0 2.58198 -150.0 90.0 2.27845 -135.0 90.0 1.55961 -120.0 90.0 0.62829 -105.0 90.0 -0.40231 -90.0 90.0 -1.11458 -75.0 90.0 -1.08320 -60.0 90.0 -0.28428 -45.0 90.0 1.48393 -30.0 90.0 3.46788 -15.0 90.0 4.70554 0.0 90.0 4.49327 15.0 90.0 3.96283 30.0 90.0 3.38653 45.0 90.0 2.52482 60.0 90.0 0.58385 75.0 90.0 -1.04633 90.0 90.0 -1.24738 105.0 90.0 -0.60009 120.0 90.0 0.44790 135.0 90.0 1.59315 150.0 90.0 2.65974 165.0 90.0 2.74719 180.0 90.0 2.74331 -180.0 105.0 1.95497 -165.0 105.0 1.97933 -150.0 105.0 1.65296 -135.0 105.0 1.13219 -120.0 105.0 0.25289 -105.0 105.0 -0.79043 -90.0 105.0 -1.75760 -75.0 105.0 -2.00163 -60.0 105.0 -1.39335 -45.0 105.0 0.01966 -30.0 105.0 1.68837 -15.0 105.0 2.74754 0.0 105.0 3.26537 15.0 105.0 3.45811 30.0 105.0 3.35587 45.0 105.0 1.58629 60.0 105.0 -1.05326 75.0 105.0 -2.46809 90.0 105.0 -2.34446 105.0 105.0 -1.44395 120.0 105.0 -0.23836 135.0 105.0 1.09817 150.0 105.0 1.74844 165.0 105.0 1.89146 180.0 105.0 1.95497 -180.0 120.0 0.94002 -165.0 120.0 1.14392 -150.0 120.0 0.94220 -135.0 120.0 0.42439 -120.0 120.0 -0.45731 -105.0 120.0 -1.58770 -90.0 120.0 -2.45287 -75.0 120.0 -3.08135 -60.0 120.0 -2.90997 -45.0 120.0 -1.83307 -30.0 120.0 -0.33944 -15.0 120.0 1.05732 0.0 120.0 2.15560 15.0 120.0 2.72433 30.0 120.0 2.73567 45.0 120.0 -0.51565 60.0 120.0 -3.11264 75.0 120.0 -3.94292 90.0 120.0 -3.50628 105.0 120.0 -2.58378 120.0 120.0 -1.19823 135.0 120.0 -0.12378 150.0 120.0 0.39856 165.0 120.0 0.68619 180.0 120.0 0.94002 -180.0 135.0 0.11457 -165.0 135.0 0.39970 -150.0 135.0 0.30326 -135.0 135.0 -0.26169 -120.0 135.0 -1.38411 -105.0 135.0 -2.57323 -90.0 135.0 -3.48022 -75.0 135.0 -4.14746 -60.0 135.0 -4.15255 -45.0 135.0 -3.31494 -30.0 135.0 -1.78936 -15.0 135.0 -0.05629 0.0 135.0 1.29409 15.0 135.0 1.77725 30.0 135.0 1.07212 45.0 135.0 -2.94717 60.0 135.0 -4.95241 75.0 135.0 -5.35985 90.0 135.0 -4.73673 105.0 135.0 -3.62454 120.0 135.0 -2.41382 135.0 135.0 -1.46090 150.0 135.0 -0.86739 165.0 135.0 -0.35767 180.0 135.0 0.11457 -180.0 150.0 -0.34547 -165.0 150.0 -0.09173 -150.0 150.0 -0.34336 -135.0 150.0 -1.09788 -120.0 150.0 -2.21872 -105.0 150.0 -3.43923 -90.0 150.0 -4.47202 -75.0 150.0 -5.11368 -60.0 150.0 -5.15707 -45.0 150.0 -4.32002 -30.0 150.0 -2.63712 -15.0 150.0 -0.72643 0.0 150.0 0.43227 15.0 150.0 1.19521 30.0 150.0 -1.82424 45.0 150.0 -4.62413 60.0 150.0 -6.11149 75.0 150.0 -6.28648 90.0 150.0 -5.59097 105.0 150.0 -4.51581 120.0 150.0 -3.36364 135.0 150.0 -2.39523 150.0 150.0 -1.61138 165.0 150.0 -0.91119 180.0 150.0 -0.34547 -180.0 165.0 -0.41413 -165.0 165.0 -0.38834 -150.0 165.0 -0.85965 -135.0 165.0 -1.80556 -120.0 165.0 -3.01099 -105.0 165.0 -4.24252 -90.0 165.0 -5.26258 -75.0 165.0 -5.87160 -60.0 165.0 -5.89147 -45.0 165.0 -4.96362 -30.0 165.0 -3.08291 -15.0 165.0 -1.02648 0.0 165.0 0.32603 15.0 165.0 -0.08376 30.0 165.0 -2.94954 45.0 165.0 -5.22077 60.0 165.0 -6.49751 75.0 165.0 -6.55928 90.0 165.0 -5.89392 105.0 165.0 -4.87737 120.0 165.0 -3.73864 135.0 165.0 -2.64493 150.0 165.0 -1.68618 165.0 165.0 -0.90052 180.0 165.0 -0.41413 -180.0 180.0 -0.41030 -165.0 180.0 -0.67838 -150.0 180.0 -1.32284 -135.0 180.0 -2.35817 -120.0 180.0 -3.54199 -105.0 180.0 -4.74648 -90.0 180.0 -5.73614 -75.0 180.0 -6.35918 -60.0 180.0 -6.35328 -45.0 180.0 -5.25542 -30.0 180.0 -3.16646 -15.0 180.0 -1.09098 0.0 180.0 1.38787 15.0 180.0 -1.09098 30.0 180.0 -3.16646 45.0 180.0 -5.25542 60.0 180.0 -6.35328 75.0 180.0 -6.36063 90.0 180.0 -5.73614 105.0 180.0 -4.74648 120.0 180.0 -3.54199 135.0 180.0 -2.35817 150.0 180.0 -1.32284 165.0 180.0 -0.67848 180.0 180.0 -0.41030 tortors 3 1 2 32 34 25 25 -180.0 -180.0 -0.41030 -165.0 -180.0 -0.67838 -150.0 -180.0 -1.32284 -135.0 -180.0 -2.35817 -120.0 -180.0 -3.54199 -105.0 -180.0 -4.74648 -90.0 -180.0 -5.73614 -75.0 -180.0 -6.35918 -60.0 -180.0 -6.35328 -45.0 -180.0 -5.25542 -30.0 -180.0 -3.16646 -15.0 -180.0 -1.09098 0.0 -180.0 1.38787 15.0 -180.0 -1.09098 30.0 -180.0 -3.16646 45.0 -180.0 -5.25542 60.0 -180.0 -6.35328 75.0 -180.0 -6.36063 90.0 -180.0 -5.73614 105.0 -180.0 -4.74648 120.0 -180.0 -3.54199 135.0 -180.0 -2.35817 150.0 -180.0 -1.32284 165.0 -180.0 -0.67848 180.0 -180.0 -0.41030 -180.0 -165.0 -0.41413 -165.0 -165.0 -0.90052 -150.0 -165.0 -1.68618 -135.0 -165.0 -2.64483 -120.0 -165.0 -3.73864 -105.0 -165.0 -4.87747 -90.0 -165.0 -5.89392 -75.0 -165.0 -6.55928 -60.0 -165.0 -6.49751 -45.0 -165.0 -5.22067 -30.0 -165.0 -2.94954 -15.0 -165.0 -0.08376 0.0 -165.0 0.32603 15.0 -165.0 -1.02648 30.0 -165.0 -3.08291 45.0 -165.0 -4.96362 60.0 -165.0 -5.89147 75.0 -165.0 -5.87160 90.0 -165.0 -5.26258 105.0 -165.0 -4.24252 120.0 -165.0 -3.01099 135.0 -165.0 -1.80556 150.0 -165.0 -0.85965 165.0 -165.0 -0.38834 180.0 -165.0 -0.41413 -180.0 -150.0 -0.34547 -165.0 -150.0 -0.91119 -150.0 -150.0 -1.61128 -135.0 -150.0 -2.39523 -120.0 -150.0 -3.36374 -105.0 -150.0 -4.51571 -90.0 -150.0 -5.59097 -75.0 -150.0 -6.28648 -60.0 -150.0 -4.83329 -45.0 -150.0 -4.62413 -30.0 -150.0 -1.82424 -15.0 -150.0 1.19531 0.0 -150.0 0.65267 15.0 -150.0 -0.72633 30.0 -150.0 -2.63732 45.0 -150.0 -4.32002 60.0 -150.0 -5.24397 75.0 -150.0 -5.11358 90.0 -150.0 -4.47212 105.0 -150.0 -3.43923 120.0 -150.0 -2.21872 135.0 -150.0 -1.09788 150.0 -150.0 -0.34336 165.0 -150.0 -0.09173 180.0 -150.0 -0.34547 -180.0 -135.0 0.11457 -165.0 -135.0 -0.35767 -150.0 -135.0 -0.86749 -135.0 -135.0 -1.46100 -120.0 -135.0 -2.41372 -105.0 -135.0 -3.62454 -90.0 -135.0 -4.73673 -75.0 -135.0 -5.35985 -60.0 -135.0 -4.95241 -45.0 -135.0 -2.94717 -30.0 -135.0 1.07212 -15.0 -135.0 1.77725 0.0 -135.0 1.29409 15.0 -135.0 -0.05629 30.0 -135.0 -1.78936 45.0 -135.0 -3.31494 60.0 -135.0 -4.15255 75.0 -135.0 -4.14746 90.0 -135.0 -3.48022 105.0 -135.0 -2.57323 120.0 -135.0 -1.38411 135.0 -135.0 -0.26179 150.0 -135.0 0.30336 165.0 -135.0 0.39970 180.0 -135.0 0.11457 -180.0 -120.0 0.94012 -165.0 -120.0 0.68619 -150.0 -120.0 0.39856 -135.0 -120.0 -0.12378 -120.0 -120.0 -1.19823 -105.0 -120.0 -2.58368 -90.0 -120.0 -3.50628 -75.0 -120.0 -3.94292 -60.0 -120.0 -3.11264 -45.0 -120.0 -0.39145 -30.0 -120.0 2.74127 -15.0 -120.0 2.72433 0.0 -120.0 2.15560 15.0 -120.0 1.05732 30.0 -120.0 -0.33944 45.0 -120.0 -1.83317 60.0 -120.0 -2.90987 75.0 -120.0 -3.08145 90.0 -120.0 -2.45277 105.0 -120.0 -1.58770 120.0 -120.0 -0.45731 135.0 -120.0 0.42439 150.0 -120.0 0.94220 165.0 -120.0 1.14392 180.0 -120.0 0.94012 -180.0 -105.0 1.95487 -165.0 -105.0 1.89156 -150.0 -105.0 1.74844 -135.0 -105.0 1.09827 -120.0 -105.0 -0.23826 -105.0 -105.0 -1.44395 -90.0 -105.0 -2.34446 -75.0 -105.0 -2.46809 -60.0 -105.0 -1.05326 -45.0 -105.0 1.58629 -30.0 -105.0 3.35587 -15.0 -105.0 3.45811 0.0 -105.0 3.26537 15.0 -105.0 2.74774 30.0 -105.0 1.68837 45.0 -105.0 0.01966 60.0 -105.0 -1.39335 75.0 -105.0 -2.00163 90.0 -105.0 -1.75770 105.0 -105.0 -0.79043 120.0 -105.0 0.25289 135.0 -105.0 1.13229 150.0 -105.0 1.65296 165.0 -105.0 1.97933 180.0 -105.0 1.95487 -180.0 -90.0 2.74331 -165.0 -90.0 2.74719 -150.0 -90.0 2.65974 -135.0 -90.0 1.59315 -120.0 -90.0 0.44790 -105.0 -90.0 -0.60009 -90.0 -90.0 -1.24738 -75.0 -90.0 -1.04633 -60.0 -90.0 0.58385 -45.0 -90.0 2.52552 -30.0 -90.0 3.38653 -15.0 -90.0 3.96283 0.0 -90.0 4.49297 15.0 -90.0 4.70534 30.0 -90.0 3.46788 45.0 -90.0 1.48393 60.0 -90.0 -0.28428 75.0 -90.0 -1.08330 90.0 -90.0 -1.11458 105.0 -90.0 -0.40231 120.0 -90.0 0.62829 135.0 -90.0 1.55961 150.0 -90.0 2.27845 165.0 -90.0 2.58188 180.0 -90.0 2.74331 -180.0 -75.0 2.77751 -165.0 -75.0 2.93260 -150.0 -75.0 2.55866 -135.0 -75.0 1.67411 -120.0 -75.0 0.59458 -105.0 -75.0 -0.17181 -90.0 -75.0 -0.48079 -75.0 -75.0 0.13385 -60.0 -75.0 0.58100 -45.0 -75.0 1.59048 -30.0 -75.0 2.74299 -15.0 -75.0 4.08945 0.0 -75.0 5.44049 15.0 -75.0 5.94623 30.0 -75.0 4.24483 45.0 -75.0 1.98183 60.0 -75.0 0.19866 75.0 -75.0 -0.95978 90.0 -75.0 -1.06248 105.0 -75.0 -0.43657 120.0 -75.0 0.70386 135.0 -75.0 1.60144 150.0 -75.0 2.18997 165.0 -75.0 2.53115 180.0 -75.0 2.77751 -180.0 -60.0 1.75943 -165.0 -60.0 1.79376 -150.0 -60.0 1.47445 -135.0 -60.0 0.86891 -120.0 -60.0 0.19601 -105.0 -60.0 -0.17426 -90.0 -60.0 -1.15692 -75.0 -60.0 -1.49008 -60.0 -60.0 -1.04413 -45.0 -60.0 0.12852 -30.0 -60.0 1.88655 -15.0 -60.0 3.95852 0.0 -60.0 5.75134 15.0 -60.0 5.31247 30.0 -60.0 3.44060 45.0 -60.0 1.34478 60.0 -60.0 -0.72835 75.0 -60.0 -1.64238 90.0 -60.0 -1.77690 105.0 -60.0 -1.08681 120.0 -60.0 -0.01095 135.0 -60.0 0.71371 150.0 -60.0 1.18267 165.0 -60.0 1.51071 180.0 -60.0 1.75943 -180.0 -45.0 -0.27385 -165.0 -45.0 -0.26642 -150.0 -45.0 -0.36210 -135.0 -45.0 -0.41066 -120.0 -45.0 -1.56700 -105.0 -45.0 -2.58412 -90.0 -45.0 -3.31258 -75.0 -45.0 -3.48890 -60.0 -45.0 -2.82064 -45.0 -45.0 -1.15606 -30.0 -45.0 1.17974 -15.0 -45.0 3.56251 0.0 -45.0 4.30355 15.0 -45.0 3.60759 30.0 -45.0 1.82415 45.0 -45.0 -0.23679 60.0 -45.0 -2.11507 75.0 -45.0 -3.16780 90.0 -45.0 -3.23377 105.0 -45.0 -2.42000 120.0 -45.0 -1.56505 135.0 -45.0 -1.07442 150.0 -45.0 -0.69448 165.0 -45.0 -0.39460 180.0 -45.0 -0.27385 -180.0 -30.0 -2.58364 -165.0 -30.0 -2.46195 -150.0 -30.0 -2.03519 -135.0 -30.0 -3.32323 -120.0 -30.0 -4.15184 -105.0 -30.0 -4.81605 -90.0 -30.0 -5.26121 -75.0 -30.0 -5.15227 -60.0 -30.0 -4.04692 -45.0 -30.0 -2.03450 -30.0 -30.0 0.38805 -15.0 -30.0 1.96687 0.0 -30.0 2.31228 15.0 -30.0 1.55486 30.0 -30.0 -0.06654 45.0 -30.0 -2.00755 60.0 -30.0 -3.84363 75.0 -30.0 -4.69688 90.0 -30.0 -4.67162 105.0 -30.0 -4.04096 120.0 -30.0 -3.61554 135.0 -30.0 -3.21036 150.0 -30.0 -2.88548 165.0 -30.0 -2.68532 180.0 -30.0 -2.58364 -180.0 -15.0 -4.27536 -165.0 -15.0 -3.60137 -150.0 -15.0 -4.68528 -135.0 -15.0 -5.26619 -120.0 -15.0 -5.75171 -105.0 -15.0 -6.18609 -90.0 -15.0 -6.40257 -75.0 -15.0 -5.99165 -60.0 -15.0 -4.68897 -45.0 -15.0 -2.79424 -30.0 -15.0 -0.88273 -15.0 -15.0 0.42755 0.0 -15.0 0.73235 15.0 -15.0 0.05777 30.0 -15.0 -1.33943 45.0 -15.0 -3.22837 60.0 -15.0 -4.85236 75.0 -15.0 -5.72489 90.0 -15.0 -5.75813 105.0 -15.0 -5.59602 120.0 -15.0 -5.30079 135.0 -15.0 -4.95535 150.0 -15.0 -4.67044 165.0 -15.0 -4.46238 180.0 -15.0 -4.27536 -180.0 0.0 -4.22230 -165.0 0.0 -5.04625 -150.0 0.0 -5.41586 -135.0 0.0 -5.74456 -120.0 0.0 -6.10583 -105.0 0.0 -6.42560 -90.0 0.0 -6.50266 -75.0 0.0 -6.06098 -60.0 0.0 -5.05604 -45.0 0.0 -3.40770 -30.0 0.0 -1.55029 -15.0 0.0 -0.29366 0.0 0.0 0.07505 15.0 0.0 -0.34966 30.0 0.0 -1.55069 45.0 0.0 -3.40780 60.0 0.0 -5.05604 75.0 0.0 -6.06088 90.0 0.0 -6.50276 105.0 0.0 -6.42560 120.0 0.0 -6.10583 135.0 0.0 -5.74466 150.0 0.0 -5.41586 165.0 0.0 -5.04645 180.0 0.0 -4.22230 -180.0 15.0 -4.27526 -165.0 15.0 -4.46238 -150.0 15.0 -4.67044 -135.0 15.0 -4.95535 -120.0 15.0 -5.30069 -105.0 15.0 -5.59602 -90.0 15.0 -5.75823 -75.0 15.0 -5.72479 -60.0 15.0 -4.85236 -45.0 15.0 -3.22837 -30.0 15.0 -1.33903 -15.0 15.0 0.05777 0.0 15.0 0.73245 15.0 15.0 0.42655 30.0 15.0 -0.88283 45.0 15.0 -2.79424 60.0 15.0 -4.68897 75.0 15.0 -5.99165 90.0 15.0 -6.40257 105.0 15.0 -6.18609 120.0 15.0 -5.75161 135.0 15.0 -5.26619 150.0 15.0 -4.68528 165.0 15.0 -3.60147 180.0 15.0 -4.27526 -180.0 30.0 -2.58364 -165.0 30.0 -2.68532 -150.0 30.0 -2.88548 -135.0 30.0 -3.21036 -120.0 30.0 -3.61554 -105.0 30.0 -4.04096 -90.0 30.0 -4.67162 -75.0 30.0 -4.69688 -60.0 30.0 -3.84373 -45.0 30.0 -2.00765 -30.0 30.0 -0.06654 -15.0 30.0 1.55486 0.0 30.0 2.31188 15.0 30.0 1.95817 30.0 30.0 0.38855 45.0 30.0 -2.03450 60.0 30.0 -4.04682 75.0 30.0 -5.15227 90.0 30.0 -5.26121 105.0 30.0 -4.81605 120.0 30.0 -4.15184 135.0 30.0 -3.32353 150.0 30.0 -2.03519 165.0 30.0 -2.46185 180.0 30.0 -2.58364 -180.0 45.0 -0.27385 -165.0 45.0 -0.39460 -150.0 45.0 -0.69448 -135.0 45.0 -1.07442 -120.0 45.0 -1.56505 -105.0 45.0 -2.42000 -90.0 45.0 -3.23377 -75.0 45.0 -3.16790 -60.0 45.0 -2.11507 -45.0 45.0 -0.23679 -30.0 45.0 1.82415 -15.0 45.0 3.60759 0.0 45.0 4.30295 15.0 45.0 3.56251 30.0 45.0 1.17974 45.0 45.0 -1.15606 60.0 45.0 -2.82064 75.0 45.0 -3.48890 90.0 45.0 -3.31258 105.0 45.0 -2.58412 120.0 45.0 -1.56700 135.0 45.0 -0.41066 150.0 45.0 -0.36210 165.0 45.0 -0.26642 180.0 45.0 -0.27385 -180.0 60.0 1.75943 -165.0 60.0 1.51071 -150.0 60.0 1.18267 -135.0 60.0 0.71371 -120.0 60.0 -0.01095 -105.0 60.0 -1.08681 -90.0 60.0 -1.77710 -75.0 60.0 -1.64228 -60.0 60.0 -0.72835 -45.0 60.0 1.34478 -30.0 60.0 3.44050 -15.0 60.0 5.31247 0.0 60.0 5.75134 15.0 60.0 3.95862 30.0 60.0 1.88655 45.0 60.0 0.12792 60.0 60.0 -1.04403 75.0 60.0 -1.49008 90.0 60.0 -1.15692 105.0 60.0 -0.17426 120.0 60.0 0.19601 135.0 60.0 0.86911 150.0 60.0 1.47445 165.0 60.0 1.79366 180.0 60.0 1.75943 -180.0 75.0 2.77761 -165.0 75.0 2.53125 -150.0 75.0 2.18987 -135.0 75.0 1.60144 -120.0 75.0 0.70386 -105.0 75.0 -0.43657 -90.0 75.0 -1.06238 -75.0 75.0 -0.95978 -60.0 75.0 0.19866 -45.0 75.0 1.98173 -30.0 75.0 4.24483 -15.0 75.0 5.94623 0.0 75.0 5.44049 15.0 75.0 4.08935 30.0 75.0 2.74299 45.0 75.0 1.59048 60.0 75.0 0.58100 75.0 75.0 0.13385 90.0 75.0 -0.48069 105.0 75.0 -0.17171 120.0 75.0 0.59458 135.0 75.0 1.67401 150.0 75.0 2.55876 165.0 75.0 2.93260 180.0 75.0 2.77761 -180.0 90.0 2.74331 -165.0 90.0 2.58198 -150.0 90.0 2.27845 -135.0 90.0 1.55961 -120.0 90.0 0.62829 -105.0 90.0 -0.40231 -90.0 90.0 -1.11458 -75.0 90.0 -1.08320 -60.0 90.0 -0.28428 -45.0 90.0 1.48393 -30.0 90.0 3.46788 -15.0 90.0 4.70554 0.0 90.0 4.49327 15.0 90.0 3.96283 30.0 90.0 3.38653 45.0 90.0 2.52482 60.0 90.0 0.58385 75.0 90.0 -1.04633 90.0 90.0 -1.24738 105.0 90.0 -0.60009 120.0 90.0 0.44790 135.0 90.0 1.59315 150.0 90.0 2.65974 165.0 90.0 2.74719 180.0 90.0 2.74331 -180.0 105.0 1.95497 -165.0 105.0 1.97933 -150.0 105.0 1.65296 -135.0 105.0 1.13219 -120.0 105.0 0.25289 -105.0 105.0 -0.79043 -90.0 105.0 -1.75760 -75.0 105.0 -2.00163 -60.0 105.0 -1.39335 -45.0 105.0 0.01966 -30.0 105.0 1.68837 -15.0 105.0 2.74754 0.0 105.0 3.26537 15.0 105.0 3.45811 30.0 105.0 3.35587 45.0 105.0 1.58629 60.0 105.0 -1.05326 75.0 105.0 -2.46809 90.0 105.0 -2.34446 105.0 105.0 -1.44395 120.0 105.0 -0.23836 135.0 105.0 1.09817 150.0 105.0 1.74844 165.0 105.0 1.89146 180.0 105.0 1.95497 -180.0 120.0 0.94002 -165.0 120.0 1.14392 -150.0 120.0 0.94220 -135.0 120.0 0.42439 -120.0 120.0 -0.45731 -105.0 120.0 -1.58770 -90.0 120.0 -2.45287 -75.0 120.0 -3.08135 -60.0 120.0 -2.90997 -45.0 120.0 -1.83307 -30.0 120.0 -0.33944 -15.0 120.0 1.05732 0.0 120.0 2.15560 15.0 120.0 2.72433 30.0 120.0 2.73567 45.0 120.0 -0.51565 60.0 120.0 -3.11264 75.0 120.0 -3.94292 90.0 120.0 -3.50628 105.0 120.0 -2.58378 120.0 120.0 -1.19823 135.0 120.0 -0.12378 150.0 120.0 0.39856 165.0 120.0 0.68619 180.0 120.0 0.94002 -180.0 135.0 0.11457 -165.0 135.0 0.39970 -150.0 135.0 0.30326 -135.0 135.0 -0.26169 -120.0 135.0 -1.38411 -105.0 135.0 -2.57323 -90.0 135.0 -3.48022 -75.0 135.0 -4.14746 -60.0 135.0 -4.15255 -45.0 135.0 -3.31494 -30.0 135.0 -1.78936 -15.0 135.0 -0.05629 0.0 135.0 1.29409 15.0 135.0 1.77725 30.0 135.0 1.07212 45.0 135.0 -2.94717 60.0 135.0 -4.95241 75.0 135.0 -5.35985 90.0 135.0 -4.73673 105.0 135.0 -3.62454 120.0 135.0 -2.41382 135.0 135.0 -1.46090 150.0 135.0 -0.86739 165.0 135.0 -0.35767 180.0 135.0 0.11457 -180.0 150.0 -0.34547 -165.0 150.0 -0.09173 -150.0 150.0 -0.34336 -135.0 150.0 -1.09788 -120.0 150.0 -2.21872 -105.0 150.0 -3.43923 -90.0 150.0 -4.47202 -75.0 150.0 -5.11368 -60.0 150.0 -5.15707 -45.0 150.0 -4.32002 -30.0 150.0 -2.63712 -15.0 150.0 -0.72643 0.0 150.0 0.43227 15.0 150.0 1.19521 30.0 150.0 -1.82424 45.0 150.0 -4.62413 60.0 150.0 -6.11149 75.0 150.0 -6.28648 90.0 150.0 -5.59097 105.0 150.0 -4.51581 120.0 150.0 -3.36364 135.0 150.0 -2.39523 150.0 150.0 -1.61138 165.0 150.0 -0.91119 180.0 150.0 -0.34547 -180.0 165.0 -0.41413 -165.0 165.0 -0.38834 -150.0 165.0 -0.85965 -135.0 165.0 -1.80556 -120.0 165.0 -3.01099 -105.0 165.0 -4.24252 -90.0 165.0 -5.26258 -75.0 165.0 -5.87160 -60.0 165.0 -5.89147 -45.0 165.0 -4.96362 -30.0 165.0 -3.08291 -15.0 165.0 -1.02648 0.0 165.0 0.32603 15.0 165.0 -0.08376 30.0 165.0 -2.94954 45.0 165.0 -5.22077 60.0 165.0 -6.49751 75.0 165.0 -6.55928 90.0 165.0 -5.89392 105.0 165.0 -4.87737 120.0 165.0 -3.73864 135.0 165.0 -2.64493 150.0 165.0 -1.68618 165.0 165.0 -0.90052 180.0 165.0 -0.41413 -180.0 180.0 -0.41030 -165.0 180.0 -0.67838 -150.0 180.0 -1.32284 -135.0 180.0 -2.35817 -120.0 180.0 -3.54199 -105.0 180.0 -4.74648 -90.0 180.0 -5.73614 -75.0 180.0 -6.35918 -60.0 180.0 -6.35328 -45.0 180.0 -5.25542 -30.0 180.0 -3.16646 -15.0 180.0 -1.09098 0.0 180.0 1.38787 15.0 180.0 -1.09098 30.0 180.0 -3.16646 45.0 180.0 -5.25542 60.0 180.0 -6.35328 75.0 180.0 -6.36063 90.0 180.0 -5.73614 105.0 180.0 -4.74648 120.0 180.0 -3.54199 135.0 180.0 -2.35817 150.0 180.0 -1.32284 165.0 180.0 -0.67848 180.0 180.0 -0.41030 tortors 3 1 2 3 15 25 25 -180.0 -180.0 -0.41030 -165.0 -180.0 -0.67838 -150.0 -180.0 -1.32284 -135.0 -180.0 -2.35817 -120.0 -180.0 -3.54199 -105.0 -180.0 -4.74648 -90.0 -180.0 -5.73614 -75.0 -180.0 -6.35918 -60.0 -180.0 -6.35328 -45.0 -180.0 -5.25542 -30.0 -180.0 -3.16646 -15.0 -180.0 -1.09098 0.0 -180.0 1.38787 15.0 -180.0 -1.09098 30.0 -180.0 -3.16646 45.0 -180.0 -5.25542 60.0 -180.0 -6.35328 75.0 -180.0 -6.36063 90.0 -180.0 -5.73614 105.0 -180.0 -4.74648 120.0 -180.0 -3.54199 135.0 -180.0 -2.35817 150.0 -180.0 -1.32284 165.0 -180.0 -0.67848 180.0 -180.0 -0.41030 -180.0 -165.0 -0.41413 -165.0 -165.0 -0.90052 -150.0 -165.0 -1.68618 -135.0 -165.0 -2.64483 -120.0 -165.0 -3.73864 -105.0 -165.0 -4.87747 -90.0 -165.0 -5.89392 -75.0 -165.0 -6.55928 -60.0 -165.0 -6.49751 -45.0 -165.0 -5.22067 -30.0 -165.0 -2.94954 -15.0 -165.0 -0.08376 0.0 -165.0 0.32603 15.0 -165.0 -1.02648 30.0 -165.0 -3.08291 45.0 -165.0 -4.96362 60.0 -165.0 -5.89147 75.0 -165.0 -5.87160 90.0 -165.0 -5.26258 105.0 -165.0 -4.24252 120.0 -165.0 -3.01099 135.0 -165.0 -1.80556 150.0 -165.0 -0.85965 165.0 -165.0 -0.38834 180.0 -165.0 -0.41413 -180.0 -150.0 -0.34547 -165.0 -150.0 -0.91119 -150.0 -150.0 -1.61128 -135.0 -150.0 -2.39523 -120.0 -150.0 -3.36374 -105.0 -150.0 -4.51571 -90.0 -150.0 -5.59097 -75.0 -150.0 -6.28648 -60.0 -150.0 -4.83329 -45.0 -150.0 -4.62413 -30.0 -150.0 -1.82424 -15.0 -150.0 1.19531 0.0 -150.0 0.65267 15.0 -150.0 -0.72633 30.0 -150.0 -2.63732 45.0 -150.0 -4.32002 60.0 -150.0 -5.24397 75.0 -150.0 -5.11358 90.0 -150.0 -4.47212 105.0 -150.0 -3.43923 120.0 -150.0 -2.21872 135.0 -150.0 -1.09788 150.0 -150.0 -0.34336 165.0 -150.0 -0.09173 180.0 -150.0 -0.34547 -180.0 -135.0 0.11457 -165.0 -135.0 -0.35767 -150.0 -135.0 -0.86749 -135.0 -135.0 -1.46100 -120.0 -135.0 -2.41372 -105.0 -135.0 -3.62454 -90.0 -135.0 -4.73673 -75.0 -135.0 -5.35985 -60.0 -135.0 -4.95241 -45.0 -135.0 -2.94717 -30.0 -135.0 1.07212 -15.0 -135.0 1.77725 0.0 -135.0 1.29409 15.0 -135.0 -0.05629 30.0 -135.0 -1.78936 45.0 -135.0 -3.31494 60.0 -135.0 -4.15255 75.0 -135.0 -4.14746 90.0 -135.0 -3.48022 105.0 -135.0 -2.57323 120.0 -135.0 -1.38411 135.0 -135.0 -0.26179 150.0 -135.0 0.30336 165.0 -135.0 0.39970 180.0 -135.0 0.11457 -180.0 -120.0 0.94012 -165.0 -120.0 0.68619 -150.0 -120.0 0.39856 -135.0 -120.0 -0.12378 -120.0 -120.0 -1.19823 -105.0 -120.0 -2.58368 -90.0 -120.0 -3.50628 -75.0 -120.0 -3.94292 -60.0 -120.0 -3.11264 -45.0 -120.0 -0.39145 -30.0 -120.0 2.74127 -15.0 -120.0 2.72433 0.0 -120.0 2.15560 15.0 -120.0 1.05732 30.0 -120.0 -0.33944 45.0 -120.0 -1.83317 60.0 -120.0 -2.90987 75.0 -120.0 -3.08145 90.0 -120.0 -2.45277 105.0 -120.0 -1.58770 120.0 -120.0 -0.45731 135.0 -120.0 0.42439 150.0 -120.0 0.94220 165.0 -120.0 1.14392 180.0 -120.0 0.94012 -180.0 -105.0 1.95487 -165.0 -105.0 1.89156 -150.0 -105.0 1.74844 -135.0 -105.0 1.09827 -120.0 -105.0 -0.23826 -105.0 -105.0 -1.44395 -90.0 -105.0 -2.34446 -75.0 -105.0 -2.46809 -60.0 -105.0 -1.05326 -45.0 -105.0 1.58629 -30.0 -105.0 3.35587 -15.0 -105.0 3.45811 0.0 -105.0 3.26537 15.0 -105.0 2.74774 30.0 -105.0 1.68837 45.0 -105.0 0.01966 60.0 -105.0 -1.39335 75.0 -105.0 -2.00163 90.0 -105.0 -1.75770 105.0 -105.0 -0.79043 120.0 -105.0 0.25289 135.0 -105.0 1.13229 150.0 -105.0 1.65296 165.0 -105.0 1.97933 180.0 -105.0 1.95487 -180.0 -90.0 2.74331 -165.0 -90.0 2.74719 -150.0 -90.0 2.65974 -135.0 -90.0 1.59315 -120.0 -90.0 0.44790 -105.0 -90.0 -0.60009 -90.0 -90.0 -1.24738 -75.0 -90.0 -1.04633 -60.0 -90.0 0.58385 -45.0 -90.0 2.52552 -30.0 -90.0 3.38653 -15.0 -90.0 3.96283 0.0 -90.0 4.49297 15.0 -90.0 4.70534 30.0 -90.0 3.46788 45.0 -90.0 1.48393 60.0 -90.0 -0.28428 75.0 -90.0 -1.08330 90.0 -90.0 -1.11458 105.0 -90.0 -0.40231 120.0 -90.0 0.62829 135.0 -90.0 1.55961 150.0 -90.0 2.27845 165.0 -90.0 2.58188 180.0 -90.0 2.74331 -180.0 -75.0 2.77751 -165.0 -75.0 2.93260 -150.0 -75.0 2.55866 -135.0 -75.0 1.67411 -120.0 -75.0 0.59458 -105.0 -75.0 -0.17181 -90.0 -75.0 -0.48079 -75.0 -75.0 0.13385 -60.0 -75.0 0.58100 -45.0 -75.0 1.59048 -30.0 -75.0 2.74299 -15.0 -75.0 4.08945 0.0 -75.0 5.44049 15.0 -75.0 5.94623 30.0 -75.0 4.24483 45.0 -75.0 1.98183 60.0 -75.0 0.19866 75.0 -75.0 -0.95978 90.0 -75.0 -1.06248 105.0 -75.0 -0.43657 120.0 -75.0 0.70386 135.0 -75.0 1.60144 150.0 -75.0 2.18997 165.0 -75.0 2.53115 180.0 -75.0 2.77751 -180.0 -60.0 1.75943 -165.0 -60.0 1.79376 -150.0 -60.0 1.47445 -135.0 -60.0 0.86891 -120.0 -60.0 0.19601 -105.0 -60.0 -0.17426 -90.0 -60.0 -1.15692 -75.0 -60.0 -1.49008 -60.0 -60.0 -1.04413 -45.0 -60.0 0.12852 -30.0 -60.0 1.88655 -15.0 -60.0 3.95852 0.0 -60.0 5.75134 15.0 -60.0 5.31247 30.0 -60.0 3.44060 45.0 -60.0 1.34478 60.0 -60.0 -0.72835 75.0 -60.0 -1.64238 90.0 -60.0 -1.77690 105.0 -60.0 -1.08681 120.0 -60.0 -0.01095 135.0 -60.0 0.71371 150.0 -60.0 1.18267 165.0 -60.0 1.51071 180.0 -60.0 1.75943 -180.0 -45.0 -0.27385 -165.0 -45.0 -0.26642 -150.0 -45.0 -0.36210 -135.0 -45.0 -0.41066 -120.0 -45.0 -1.56700 -105.0 -45.0 -2.58412 -90.0 -45.0 -3.31258 -75.0 -45.0 -3.48890 -60.0 -45.0 -2.82064 -45.0 -45.0 -1.15606 -30.0 -45.0 1.17974 -15.0 -45.0 3.56251 0.0 -45.0 4.30355 15.0 -45.0 3.60759 30.0 -45.0 1.82415 45.0 -45.0 -0.23679 60.0 -45.0 -2.11507 75.0 -45.0 -3.16780 90.0 -45.0 -3.23377 105.0 -45.0 -2.42000 120.0 -45.0 -1.56505 135.0 -45.0 -1.07442 150.0 -45.0 -0.69448 165.0 -45.0 -0.39460 180.0 -45.0 -0.27385 -180.0 -30.0 -2.58364 -165.0 -30.0 -2.46195 -150.0 -30.0 -2.03519 -135.0 -30.0 -3.32323 -120.0 -30.0 -4.15184 -105.0 -30.0 -4.81605 -90.0 -30.0 -5.26121 -75.0 -30.0 -5.15227 -60.0 -30.0 -4.04692 -45.0 -30.0 -2.03450 -30.0 -30.0 0.38805 -15.0 -30.0 1.96687 0.0 -30.0 2.31228 15.0 -30.0 1.55486 30.0 -30.0 -0.06654 45.0 -30.0 -2.00755 60.0 -30.0 -3.84363 75.0 -30.0 -4.69688 90.0 -30.0 -4.67162 105.0 -30.0 -4.04096 120.0 -30.0 -3.61554 135.0 -30.0 -3.21036 150.0 -30.0 -2.88548 165.0 -30.0 -2.68532 180.0 -30.0 -2.58364 -180.0 -15.0 -4.27536 -165.0 -15.0 -3.60137 -150.0 -15.0 -4.68528 -135.0 -15.0 -5.26619 -120.0 -15.0 -5.75171 -105.0 -15.0 -6.18609 -90.0 -15.0 -6.40257 -75.0 -15.0 -5.99165 -60.0 -15.0 -4.68897 -45.0 -15.0 -2.79424 -30.0 -15.0 -0.88273 -15.0 -15.0 0.42755 0.0 -15.0 0.73235 15.0 -15.0 0.05777 30.0 -15.0 -1.33943 45.0 -15.0 -3.22837 60.0 -15.0 -4.85236 75.0 -15.0 -5.72489 90.0 -15.0 -5.75813 105.0 -15.0 -5.59602 120.0 -15.0 -5.30079 135.0 -15.0 -4.95535 150.0 -15.0 -4.67044 165.0 -15.0 -4.46238 180.0 -15.0 -4.27536 -180.0 0.0 -4.22230 -165.0 0.0 -5.04625 -150.0 0.0 -5.41586 -135.0 0.0 -5.74456 -120.0 0.0 -6.10583 -105.0 0.0 -6.42560 -90.0 0.0 -6.50266 -75.0 0.0 -6.06098 -60.0 0.0 -5.05604 -45.0 0.0 -3.40770 -30.0 0.0 -1.55029 -15.0 0.0 -0.29366 0.0 0.0 0.07505 15.0 0.0 -0.34966 30.0 0.0 -1.55069 45.0 0.0 -3.40780 60.0 0.0 -5.05604 75.0 0.0 -6.06088 90.0 0.0 -6.50276 105.0 0.0 -6.42560 120.0 0.0 -6.10583 135.0 0.0 -5.74466 150.0 0.0 -5.41586 165.0 0.0 -5.04645 180.0 0.0 -4.22230 -180.0 15.0 -4.27526 -165.0 15.0 -4.46238 -150.0 15.0 -4.67044 -135.0 15.0 -4.95535 -120.0 15.0 -5.30069 -105.0 15.0 -5.59602 -90.0 15.0 -5.75823 -75.0 15.0 -5.72479 -60.0 15.0 -4.85236 -45.0 15.0 -3.22837 -30.0 15.0 -1.33903 -15.0 15.0 0.05777 0.0 15.0 0.73245 15.0 15.0 0.42655 30.0 15.0 -0.88283 45.0 15.0 -2.79424 60.0 15.0 -4.68897 75.0 15.0 -5.99165 90.0 15.0 -6.40257 105.0 15.0 -6.18609 120.0 15.0 -5.75161 135.0 15.0 -5.26619 150.0 15.0 -4.68528 165.0 15.0 -3.60147 180.0 15.0 -4.27526 -180.0 30.0 -2.58364 -165.0 30.0 -2.68532 -150.0 30.0 -2.88548 -135.0 30.0 -3.21036 -120.0 30.0 -3.61554 -105.0 30.0 -4.04096 -90.0 30.0 -4.67162 -75.0 30.0 -4.69688 -60.0 30.0 -3.84373 -45.0 30.0 -2.00765 -30.0 30.0 -0.06654 -15.0 30.0 1.55486 0.0 30.0 2.31188 15.0 30.0 1.95817 30.0 30.0 0.38855 45.0 30.0 -2.03450 60.0 30.0 -4.04682 75.0 30.0 -5.15227 90.0 30.0 -5.26121 105.0 30.0 -4.81605 120.0 30.0 -4.15184 135.0 30.0 -3.32353 150.0 30.0 -2.03519 165.0 30.0 -2.46185 180.0 30.0 -2.58364 -180.0 45.0 -0.27385 -165.0 45.0 -0.39460 -150.0 45.0 -0.69448 -135.0 45.0 -1.07442 -120.0 45.0 -1.56505 -105.0 45.0 -2.42000 -90.0 45.0 -3.23377 -75.0 45.0 -3.16790 -60.0 45.0 -2.11507 -45.0 45.0 -0.23679 -30.0 45.0 1.82415 -15.0 45.0 3.60759 0.0 45.0 4.30295 15.0 45.0 3.56251 30.0 45.0 1.17974 45.0 45.0 -1.15606 60.0 45.0 -2.82064 75.0 45.0 -3.48890 90.0 45.0 -3.31258 105.0 45.0 -2.58412 120.0 45.0 -1.56700 135.0 45.0 -0.41066 150.0 45.0 -0.36210 165.0 45.0 -0.26642 180.0 45.0 -0.27385 -180.0 60.0 1.75943 -165.0 60.0 1.51071 -150.0 60.0 1.18267 -135.0 60.0 0.71371 -120.0 60.0 -0.01095 -105.0 60.0 -1.08681 -90.0 60.0 -1.77710 -75.0 60.0 -1.64228 -60.0 60.0 -0.72835 -45.0 60.0 1.34478 -30.0 60.0 3.44050 -15.0 60.0 5.31247 0.0 60.0 5.75134 15.0 60.0 3.95862 30.0 60.0 1.88655 45.0 60.0 0.12792 60.0 60.0 -1.04403 75.0 60.0 -1.49008 90.0 60.0 -1.15692 105.0 60.0 -0.17426 120.0 60.0 0.19601 135.0 60.0 0.86911 150.0 60.0 1.47445 165.0 60.0 1.79366 180.0 60.0 1.75943 -180.0 75.0 2.77761 -165.0 75.0 2.53125 -150.0 75.0 2.18987 -135.0 75.0 1.60144 -120.0 75.0 0.70386 -105.0 75.0 -0.43657 -90.0 75.0 -1.06238 -75.0 75.0 -0.95978 -60.0 75.0 0.19866 -45.0 75.0 1.98173 -30.0 75.0 4.24483 -15.0 75.0 5.94623 0.0 75.0 5.44049 15.0 75.0 4.08935 30.0 75.0 2.74299 45.0 75.0 1.59048 60.0 75.0 0.58100 75.0 75.0 0.13385 90.0 75.0 -0.48069 105.0 75.0 -0.17171 120.0 75.0 0.59458 135.0 75.0 1.67401 150.0 75.0 2.55876 165.0 75.0 2.93260 180.0 75.0 2.77761 -180.0 90.0 2.74331 -165.0 90.0 2.58198 -150.0 90.0 2.27845 -135.0 90.0 1.55961 -120.0 90.0 0.62829 -105.0 90.0 -0.40231 -90.0 90.0 -1.11458 -75.0 90.0 -1.08320 -60.0 90.0 -0.28428 -45.0 90.0 1.48393 -30.0 90.0 3.46788 -15.0 90.0 4.70554 0.0 90.0 4.49327 15.0 90.0 3.96283 30.0 90.0 3.38653 45.0 90.0 2.52482 60.0 90.0 0.58385 75.0 90.0 -1.04633 90.0 90.0 -1.24738 105.0 90.0 -0.60009 120.0 90.0 0.44790 135.0 90.0 1.59315 150.0 90.0 2.65974 165.0 90.0 2.74719 180.0 90.0 2.74331 -180.0 105.0 1.95497 -165.0 105.0 1.97933 -150.0 105.0 1.65296 -135.0 105.0 1.13219 -120.0 105.0 0.25289 -105.0 105.0 -0.79043 -90.0 105.0 -1.75760 -75.0 105.0 -2.00163 -60.0 105.0 -1.39335 -45.0 105.0 0.01966 -30.0 105.0 1.68837 -15.0 105.0 2.74754 0.0 105.0 3.26537 15.0 105.0 3.45811 30.0 105.0 3.35587 45.0 105.0 1.58629 60.0 105.0 -1.05326 75.0 105.0 -2.46809 90.0 105.0 -2.34446 105.0 105.0 -1.44395 120.0 105.0 -0.23836 135.0 105.0 1.09817 150.0 105.0 1.74844 165.0 105.0 1.89146 180.0 105.0 1.95497 -180.0 120.0 0.94002 -165.0 120.0 1.14392 -150.0 120.0 0.94220 -135.0 120.0 0.42439 -120.0 120.0 -0.45731 -105.0 120.0 -1.58770 -90.0 120.0 -2.45287 -75.0 120.0 -3.08135 -60.0 120.0 -2.90997 -45.0 120.0 -1.83307 -30.0 120.0 -0.33944 -15.0 120.0 1.05732 0.0 120.0 2.15560 15.0 120.0 2.72433 30.0 120.0 2.73567 45.0 120.0 -0.51565 60.0 120.0 -3.11264 75.0 120.0 -3.94292 90.0 120.0 -3.50628 105.0 120.0 -2.58378 120.0 120.0 -1.19823 135.0 120.0 -0.12378 150.0 120.0 0.39856 165.0 120.0 0.68619 180.0 120.0 0.94002 -180.0 135.0 0.11457 -165.0 135.0 0.39970 -150.0 135.0 0.30326 -135.0 135.0 -0.26169 -120.0 135.0 -1.38411 -105.0 135.0 -2.57323 -90.0 135.0 -3.48022 -75.0 135.0 -4.14746 -60.0 135.0 -4.15255 -45.0 135.0 -3.31494 -30.0 135.0 -1.78936 -15.0 135.0 -0.05629 0.0 135.0 1.29409 15.0 135.0 1.77725 30.0 135.0 1.07212 45.0 135.0 -2.94717 60.0 135.0 -4.95241 75.0 135.0 -5.35985 90.0 135.0 -4.73673 105.0 135.0 -3.62454 120.0 135.0 -2.41382 135.0 135.0 -1.46090 150.0 135.0 -0.86739 165.0 135.0 -0.35767 180.0 135.0 0.11457 -180.0 150.0 -0.34547 -165.0 150.0 -0.09173 -150.0 150.0 -0.34336 -135.0 150.0 -1.09788 -120.0 150.0 -2.21872 -105.0 150.0 -3.43923 -90.0 150.0 -4.47202 -75.0 150.0 -5.11368 -60.0 150.0 -5.15707 -45.0 150.0 -4.32002 -30.0 150.0 -2.63712 -15.0 150.0 -0.72643 0.0 150.0 0.43227 15.0 150.0 1.19521 30.0 150.0 -1.82424 45.0 150.0 -4.62413 60.0 150.0 -6.11149 75.0 150.0 -6.28648 90.0 150.0 -5.59097 105.0 150.0 -4.51581 120.0 150.0 -3.36364 135.0 150.0 -2.39523 150.0 150.0 -1.61138 165.0 150.0 -0.91119 180.0 150.0 -0.34547 -180.0 165.0 -0.41413 -165.0 165.0 -0.38834 -150.0 165.0 -0.85965 -135.0 165.0 -1.80556 -120.0 165.0 -3.01099 -105.0 165.0 -4.24252 -90.0 165.0 -5.26258 -75.0 165.0 -5.87160 -60.0 165.0 -5.89147 -45.0 165.0 -4.96362 -30.0 165.0 -3.08291 -15.0 165.0 -1.02648 0.0 165.0 0.32603 15.0 165.0 -0.08376 30.0 165.0 -2.94954 45.0 165.0 -5.22077 60.0 165.0 -6.49751 75.0 165.0 -6.55928 90.0 165.0 -5.89392 105.0 165.0 -4.87737 120.0 165.0 -3.73864 135.0 165.0 -2.64493 150.0 165.0 -1.68618 165.0 165.0 -0.90052 180.0 165.0 -0.41413 -180.0 180.0 -0.41030 -165.0 180.0 -0.67838 -150.0 180.0 -1.32284 -135.0 180.0 -2.35817 -120.0 180.0 -3.54199 -105.0 180.0 -4.74648 -90.0 180.0 -5.73614 -75.0 180.0 -6.35918 -60.0 180.0 -6.35328 -45.0 180.0 -5.25542 -30.0 180.0 -3.16646 -15.0 180.0 -1.09098 0.0 180.0 1.38787 15.0 180.0 -1.09098 30.0 180.0 -3.16646 45.0 180.0 -5.25542 60.0 180.0 -6.35328 75.0 180.0 -6.36063 90.0 180.0 -5.73614 105.0 180.0 -4.74648 120.0 180.0 -3.54199 135.0 180.0 -2.35817 150.0 180.0 -1.32284 165.0 180.0 -0.67848 180.0 180.0 -0.41030 ################################### ## ## ## Atomic Multipole Parameters ## ## ## ################################### multipole 1 2 4 -0.22483 0.12482 0.00000 0.32382 0.10689 0.00000 -0.84021 -0.14175 0.00000 0.73332 multipole 2 1 3 -0.09722 0.29356 0.00000 0.16702 0.08444 0.00000 -0.32288 -0.24845 0.00000 0.23844 multipole 2 1 233 -0.31113 0.29356 0.00000 0.16702 0.08444 0.00000 -0.32288 -0.24845 0.00000 0.23844 multipole 2 1 235 -0.18217 0.30273 0.00000 0.14966 -0.00540 0.00000 -0.58515 -0.15734 0.00000 0.59055 multipole 2 231 3 -0.06142 0.15310 0.00000 0.58485 -1.10051 0.00000 -0.52551 -0.23601 0.00000 1.62602 multipole 3 5 2 0.79586 -0.13770 0.00000 0.29742 0.14120 0.00000 -0.29053 0.00632 0.00000 0.14933 multipole 4 1 2 0.13964 0.00855 0.00000 -0.12105 0.00073 0.00000 -0.01705 -0.03619 0.00000 0.01632 multipole 5 3 2 -0.76219 0.02701 0.00000 -0.11735 -0.52988 0.00000 0.17528 0.04451 0.00000 0.35460 multipole 6 2 6 0.07437 0.01314 0.00000 -0.06475 0.08205 0.00000 0.01765 0.00706 0.00000 -0.09970 multipole 7 8 10 -0.15418 0.09038 0.00000 0.44023 0.11417 0.00000 -1.09602 -0.18333 0.00000 0.98185 multipole 7 48 10 -0.14115 0.12232 0.00000 0.52872 -0.43015 0.00000 -0.90054 -0.20486 0.00000 1.33069 multipole 8 7 9 12 -0.17302 0.20245 0.00000 0.14886 -0.19394 0.00000 -0.38164 -0.02856 0.00000 0.57558 multipole 8 7 233 12 -0.36199 -0.12137 0.00000 0.18627 -0.91798 0.00000 0.05376 0.15506 0.00000 0.86422 multipole 8 7 235 12 -0.11441 0.20245 0.00000 0.14886 -0.19394 0.00000 -0.38164 -0.02856 0.00000 0.57558 multipole 8 231 9 12 0.04440 0.09865 0.00000 0.46297 -1.02943 0.00000 -0.69704 -0.49818 0.00000 1.72647 multipole 9 11 8 0.81010 -0.03747 0.00000 0.23377 0.31967 0.00000 -0.32818 -0.03412 0.00000 0.00851 multipole 9 11 48 0.85003 -0.02491 0.00000 0.25777 0.45171 0.00000 -0.12926 -0.10936 0.00000 -0.32245 multipole 10 7 8 0.12044 -0.00442 0.00000 -0.13836 0.03666 0.00000 0.02185 -0.10048 0.00000 -0.05851 multipole 10 7 48 0.12637 -0.02506 0.00000 -0.11601 0.15583 0.00000 0.22096 0.19740 0.00000 -0.37679 multipole 11 9 8 -0.75149 -0.00495 0.00000 -0.15871 -0.53066 0.00000 0.27820 0.10276 0.00000 0.25246 multipole 11 9 48 -0.77014 0.03419 0.00000 -0.15399 -0.55689 0.00000 -0.04221 0.10937 0.00000 0.59910 multipole 12 8 13 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 15 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 19 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 25 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 33 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 37 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 43 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 61 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 70 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 80 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 89 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 106 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 117 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 127 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 137 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 141 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 147 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 153 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 159 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 167 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 175 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 182 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 192 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 8 202 0.08514 0.02910 0.00000 0.05267 0.04149 0.00000 -0.00658 -0.00600 0.00000 -0.03491 multipole 12 48 43 0.07834 0.07720 0.00000 0.12670 0.05776 0.00000 -0.05378 -0.00817 0.00000 -0.00398 multipole 13 8 12 -0.15959 -0.01994 0.00000 0.37655 -0.25740 0.00000 -0.29981 -0.04929 0.00000 0.55721 multipole 14 13 8 0.07420 -0.02399 0.00000 -0.11050 0.00932 0.00000 0.05597 -0.06329 0.00000 -0.06529 multipole 15 16 8 -0.06548 0.18863 0.00000 -0.25977 0.38994 0.00000 0.04868 -0.23538 0.00000 -0.43862 multipole 16 15 8 0.07117 -0.02192 0.00000 -0.09528 -0.12013 0.00000 0.08153 -0.00394 0.00000 0.03860 multipole 17 15 8 -0.16832 -0.08635 0.00000 0.33587 -0.27420 0.00000 -0.17464 -0.25682 0.00000 0.44884 multipole 18 17 15 0.06566 -0.02088 0.00000 -0.10166 0.01623 0.00000 0.04728 0.00231 0.00000 -0.06351 multipole 19 8 21 -0.13173 0.18350 0.00000 0.29386 0.00999 0.00000 -0.65954 -0.21063 0.00000 0.64955 multipole 20 19 21 0.06916 0.05664 0.00000 -0.13463 0.04076 0.00000 0.11032 0.10592 0.00000 -0.15108 multipole 21 22 19 -0.02887 0.11379 0.00000 -0.33524 0.32588 0.00000 0.22134 -0.11449 0.00000 -0.54722 multipole 22 21 19 0.08767 -0.01393 0.00000 -0.07934 -0.05712 0.00000 0.16068 0.00191 0.00000 -0.10356 multipole 23 21 19 -0.17741 -0.04820 0.00000 0.27453 -0.28572 0.00000 -0.21363 -0.06394 0.00000 0.49935 multipole 24 23 21 0.05874 0.00734 0.00000 -0.09498 0.04549 0.00000 0.01789 0.01922 0.00000 -0.06338 multipole 25 26 27 -0.08555 -0.10128 0.00000 -0.23524 0.20588 0.00000 0.35986 -0.06061 0.00000 -0.56574 multipole 26 25 27 0.08230 0.04789 0.00000 -0.08924 0.01057 0.00000 0.11342 0.06251 0.00000 -0.12399 multipole 27 31 25 -0.11939 0.32104 0.00000 0.10406 0.26796 0.00000 -0.55943 -0.32286 0.00000 0.29147 multipole 28 27 25 0.07096 -0.02472 0.00000 -0.08760 -0.02354 0.00000 0.07793 -0.09866 0.00000 -0.05439 multipole 29 25 27 -0.17217 0.01336 0.00000 0.38349 -0.31978 0.00000 -0.13786 0.11205 0.00000 0.45764 multipole 30 29 25 0.06823 -0.01947 0.00000 -0.09588 0.04494 0.00000 0.05530 0.00419 0.00000 -0.10024 multipole 31 27 32 -0.16882 0.02110 0.00000 0.24422 -0.25302 0.00000 -0.13559 0.02868 0.00000 0.38861 multipole 32 31 27 0.06001 0.00612 0.00000 -0.10697 0.03438 0.00000 0.06956 -0.03511 0.00000 -0.10394 multipole 33 8 35 0.16229 0.22880 0.00000 0.30596 0.12912 0.00000 -0.06006 -0.66812 0.00000 -0.06906 multipole 34 33 8 0.05600 -0.14483 0.00000 -0.07492 -0.00102 0.00000 -0.06173 -0.03044 0.00000 0.06275 multipole 35 36 33 -0.44145 0.23477 0.00000 0.13825 0.06803 0.00000 -0.49343 -0.14987 0.00000 0.42541 multipole 36 35 33 0.23017 -0.12968 0.00000 0.01379 -0.06824 0.00000 -0.11228 -0.08774 0.00000 0.18052 multipole 37 39 8 0.10834 0.24982 0.00000 0.27937 0.08477 0.00000 -0.58656 -0.19826 0.00000 0.50179 multipole 38 37 39 0.06805 0.02048 0.00000 -0.09220 -0.00303 0.00000 -0.01146 -0.05463 0.00000 0.01449 multipole 39 40 37 -0.40177 0.35143 0.00000 0.04331 0.31002 0.00000 -0.84324 -0.38927 0.00000 0.53322 multipole 40 39 37 0.24568 -0.10665 0.00000 0.01809 -0.15372 0.00000 -0.05391 0.00480 0.00000 0.20763 multipole 41 37 42 -0.16081 -0.01376 0.00000 0.41130 -0.26001 0.00000 -0.18818 -0.12509 0.00000 0.44819 multipole 42 41 37 0.06784 -0.05387 0.00000 -0.13358 0.00765 0.00000 0.10555 -0.15569 0.00000 -0.11320 multipole 43 8 45 -0.30144 0.07672 0.00000 0.42645 -0.35442 0.00000 -0.51033 -0.35331 0.00000 0.86475 multipole 43 8 47 -0.30144 0.07672 0.00000 0.42645 -0.35442 0.00000 -0.51033 -0.35331 0.00000 0.86475 multipole 43 48 49 -0.08027 0.13313 0.00000 0.28094 -0.73267 0.00000 0.44660 -0.05681 0.00000 0.28607 multipole 44 43 8 0.14381 -0.07645 0.00000 0.01699 -0.09149 0.00000 -0.03033 -0.15284 0.00000 0.12182 multipole 44 43 48 0.00975 -0.14579 0.00000 -0.00614 -0.22868 0.00000 0.13700 -0.21056 0.00000 0.09168 multipole 45 46 43 -0.03264 0.49460 0.00000 -0.04347 1.63727 0.00000 -2.40778 -0.45566 0.00000 0.77051 multipole 46 45 43 0.10947 -0.10504 0.00000 -0.03823 -0.08656 0.00000 -0.01943 -0.23485 0.00000 0.10599 multipole 47 47 43 0.07683 0.30088 0.00000 0.27072 1.04951 0.00000 -2.57126 -0.50502 0.00000 1.52175 multipole 48 7 9 12 -0.23113 0.27663 0.00000 0.12440 -0.20625 0.00000 -0.28389 0.15574 0.00000 0.49014 multipole 48 7 233 12 0.60118 0.27663 0.00000 0.12440 -0.20625 0.00000 -0.28389 0.15574 0.00000 0.49014 multipole 49 43 48 -0.85155 0.15871 0.00000 0.56464 -1.49210 0.00000 -1.58110 -0.20334 0.00000 3.07320 multipole 50 51 59 -0.13558 0.39735 0.00000 0.41339 0.27347 0.00000 -1.36200 -0.22439 0.00000 1.08853 multipole 51 50 52 54 -0.26070 0.08712 0.00000 0.33920 -0.37488 0.00000 -0.33230 0.21154 0.00000 0.70718 multipole 51 50 233 54 -0.37342 0.08712 0.00000 0.33920 -0.37488 0.00000 -0.33230 0.21154 0.00000 0.70718 multipole 52 53 51 0.90470 0.06004 0.00000 0.25405 0.35305 0.00000 -0.30405 0.20110 0.00000 -0.04900 multipole 53 52 51 -0.76984 -0.05467 0.00000 -0.23073 -0.46593 0.00000 0.27107 -0.00005 0.00000 0.19486 multipole 54 51 55 0.09550 0.05530 0.00000 0.17764 -0.07670 0.00000 -0.13879 -0.00767 0.00000 0.21549 multipole 55 51 57 -0.13205 0.32755 0.00000 0.46077 0.17752 0.00000 -0.61073 -0.35102 0.00000 0.43321 multipole 55 241 57 -0.12680 0.31318 0.00000 0.41341 0.26389 0.00000 -0.70262 -0.10425 0.00000 0.43873 multipole 56 55 51 0.09686 -0.08812 0.00000 -0.10597 -0.00614 0.00000 0.10040 -0.16651 0.00000 -0.09426 multipole 56 55 241 0.11510 0.00090 0.00000 -0.07548 -0.00989 0.00000 -0.01502 0.00444 0.00000 0.02491 multipole 57 55 59 -0.16591 0.43907 0.00000 0.23052 0.21670 0.00000 -0.57363 -0.09937 0.00000 0.35693 multipole 57 55 245 -0.14420 0.42355 0.00000 0.25235 0.34755 0.00000 -0.69761 -0.08434 0.00000 0.35006 multipole 58 57 55 0.08886 -0.00234 0.00000 -0.08982 0.07325 0.00000 0.05889 -0.03278 0.00000 -0.13214 multipole 58 57 245 0.12121 -0.00270 0.00000 -0.06030 -0.00918 0.00000 -0.01098 0.00194 0.00000 0.02016 multipole 59 50 57 -0.03932 0.17998 0.00000 0.43068 -0.10117 0.00000 -0.38138 0.01443 0.00000 0.48255 multipole 60 59 50 0.06588 -0.03733 0.00000 -0.07724 0.02650 0.00000 -0.00717 -0.08958 0.00000 -0.01933 multipole 61 63 8 -0.11216 0.38620 0.00000 0.08762 0.47377 0.00000 -0.59723 -0.25956 0.00000 0.12346 multipole 62 61 63 0.09205 0.04929 0.00000 -0.11825 0.02631 0.00000 0.10410 0.09871 0.00000 -0.13041 multipole 63 61 64 -0.04246 0.01409 0.00000 0.21398 0.05117 0.00000 -0.26849 -0.07370 0.00000 0.21732 multipole 64 63 66 0.04681 0.17684 0.00000 0.12228 0.48702 0.00000 -0.40448 0.34751 0.00000 -0.08254 multipole 65 64 63 0.00023 -0.01320 0.00000 -0.17110 0.08705 0.00000 0.10296 0.00895 0.00000 -0.19001 multipole 66 64 68 -0.02656 -0.02571 0.00000 0.00360 -0.00110 0.00000 -0.14275 -0.09779 0.00000 0.14385 multipole 67 66 64 0.00719 0.00137 0.00000 -0.18600 0.05207 0.00000 -0.00064 0.00676 0.00000 -0.05143 multipole 68 66 66 -0.02866 -0.02759 0.00000 -0.00699 -0.01545 0.00000 -0.19273 -0.12394 0.00000 0.20818 multipole 69 68 66 0.00685 -0.00666 0.00000 -0.18375 0.05602 0.00000 -0.00631 0.00545 0.00000 -0.04971 multipole 70 72 8 -0.10731 0.38034 0.00000 0.08372 0.50724 0.00000 -0.62647 -0.18907 0.00000 0.11923 multipole 71 70 72 0.09011 0.04522 0.00000 -0.12453 0.04012 0.00000 0.06958 0.07019 0.00000 -0.10970 multipole 72 70 73 -0.05309 0.06610 0.00000 0.18549 0.04921 0.00000 -0.33224 -0.11333 0.00000 0.28303 multipole 73 72 75 0.07134 0.24299 0.00000 0.14377 0.57252 0.00000 -0.47541 0.42651 0.00000 -0.09711 multipole 74 73 72 0.00345 -0.01772 0.00000 -0.17185 0.14345 0.00000 0.12181 0.02031 0.00000 -0.26526 multipole 75 73 77 -0.12512 -0.11733 0.00000 0.00000 0.04101 0.00000 -0.14140 -0.08647 0.00000 0.10039 multipole 76 75 73 0.01090 0.02337 0.00000 -0.19140 0.03985 0.00000 0.06312 -0.01694 0.00000 -0.10297 multipole 77 78 75 0.35744 0.02001 0.00000 0.42701 -0.19251 0.00000 -0.38151 0.27981 0.00000 0.57402 multipole 78 77 79 -0.46438 0.19713 0.00000 0.00614 0.42591 0.00000 -0.39511 -0.34625 0.00000 -0.03080 multipole 79 78 77 0.22899 -0.06109 0.00000 -0.01309 -0.11816 0.00000 -0.15815 0.04555 0.00000 0.27631 multipole 80 8 82 -0.14909 0.11344 0.00000 0.39909 0.03628 0.00000 -0.47377 0.02261 0.00000 0.43749 multipole 81 80 81 0.07954 0.01404 0.00000 -0.09182 0.04405 0.00000 0.01752 0.03456 0.00000 -0.06157 multipole 82 80 83 -0.21590 0.00000 0.00000 0.19889 0.43753 0.00000 -0.84736 0.00000 0.00000 0.40983 multipole 83 82 85 -0.04549 0.32216 0.00000 0.13839 0.73596 0.00000 -0.60409 0.25285 0.00000 -0.13187 multipole 84 83 82 0.01759 -0.02121 0.00000 -0.10542 0.08078 0.00000 0.10479 -0.00935 0.00000 -0.18557 multipole 85 83 87 -0.15892 0.03729 0.00000 0.15665 0.59432 0.00000 -0.78857 0.29227 0.00000 0.19425 multipole 86 85 87 -0.03324 0.03781 0.00000 -0.15021 0.16274 0.00000 0.11972 0.03565 0.00000 -0.28246 multipole 87 88 85 0.62054 0.00000 0.00000 0.43281 0.41363 0.00000 -0.34255 0.00000 0.00000 -0.07108 multipole 88 87 85 -0.91150 0.00000 0.00000 -0.26161 -0.27372 0.00000 0.34305 0.00000 0.00000 -0.06933 multipole 89 8 91 -0.16339 -0.12477 0.00000 0.53121 -0.30582 0.00000 -0.43704 0.40713 0.00000 0.74286 multipole 90 89 91 0.08819 0.06555 0.00000 -0.10115 -0.10247 0.00000 0.15243 0.03296 0.00000 -0.04996 multipole 91 92 94 -0.14846 -0.32645 0.00000 -0.13851 0.16205 0.00000 -0.20283 0.53464 0.00000 0.04078 multipole 92 95 91 0.09676 0.02936 0.00000 0.48291 -0.05924 0.00000 -0.39203 0.57677 0.00000 0.45127 multipole 93 92 95 0.02989 -0.00149 0.00000 -0.20147 -0.02175 0.00000 0.07153 0.04234 0.00000 -0.04978 multipole 94 91 98 0.00548 0.26321 0.00000 -0.09442 0.27216 0.00000 -0.00293 -0.14493 0.00000 -0.26923 multipole 95 92 97 -0.03588 0.13305 0.00000 0.32467 0.47653 0.00000 -0.93115 0.99076 0.00000 0.45462 multipole 96 95 92 0.08805 0.00174 0.00000 -0.22101 0.07562 0.00000 0.06395 0.01790 0.00000 -0.13957 multipole 97 95 100 0.27382 -0.01350 0.00000 -0.01650 -0.51808 0.00000 -0.74455 -0.04923 0.00000 1.26263 multipole 98 102 94 -0.20979 -0.34622 0.00000 0.10170 -0.36832 0.00000 0.33475 0.35509 0.00000 0.03357 multipole 99 98 102 0.00102 0.00505 0.00000 -0.17714 0.06900 0.00000 0.06904 -0.03904 0.00000 -0.13804 multipole 100 104 97 -0.11296 -0.13812 0.00000 -0.03163 -0.06766 0.00000 0.01833 -0.00493 0.00000 0.04933 multipole 101 100 104 0.00446 0.00790 0.00000 -0.18506 0.03323 0.00000 0.01707 -0.02718 0.00000 -0.05030 multipole 102 98 104 0.06902 0.27757 0.00000 0.10967 0.56142 0.00000 -0.53401 0.44766 0.00000 -0.02741 multipole 103 102 98 0.00474 0.00358 0.00000 -0.18227 0.04939 0.00000 0.01436 0.01490 0.00000 -0.06375 multipole 104 102 100 -0.01987 0.02835 0.00000 0.04818 0.20675 0.00000 -0.27604 0.00990 0.00000 0.06929 multipole 105 104 102 0.00374 0.00125 0.00000 -0.18390 0.04446 0.00000 -0.01545 -0.01437 0.00000 -0.02901 multipole 106 8 108 -0.10044 0.08050 0.00000 0.31541 -0.04428 0.00000 -0.57160 -0.15478 0.00000 0.61588 multipole 107 106 108 0.11241 0.00094 0.00000 -0.14233 0.02742 0.00000 0.10370 0.00990 0.00000 -0.13112 multipole 108 106 109 0.16205 0.16361 0.00000 0.27606 0.18556 0.00000 -0.33531 -0.34553 0.00000 0.14975 multipole 109 108 113 -0.10600 0.06737 0.00000 0.13621 0.52452 0.00000 -0.63296 0.39427 0.00000 0.10844 multipole 110 109 108 0.20247 -0.04159 0.00000 -0.13094 0.01709 0.00000 -0.01033 -0.01012 0.00000 -0.00676 multipole 111 108 115 0.04476 0.19634 0.00000 -0.22474 0.58980 0.00000 -0.17266 -0.21786 0.00000 -0.41714 multipole 112 111 115 0.08897 0.00602 0.00000 -0.21192 0.01372 0.00000 0.02533 0.02467 0.00000 -0.03905 multipole 113 109 115 0.39335 0.28599 0.00000 0.15648 0.09076 0.00000 -0.28047 -0.26152 0.00000 0.18971 multipole 114 113 115 0.09278 -0.00527 0.00000 -0.23564 0.04222 0.00000 -0.00568 -0.00439 0.00000 -0.03654 multipole 115 111 113 -0.08186 -0.06539 0.00000 0.06061 0.34422 0.00000 -0.66901 0.31146 0.00000 0.32479 multipole 116 115 113 0.14211 -0.01142 0.00000 -0.24975 0.05866 0.00000 -0.00893 -0.00227 0.00000 -0.04973 multipole 117 8 119 -0.10846 0.06915 0.00000 0.34129 -0.13274 0.00000 -0.55071 -0.03813 0.00000 0.68345 multipole 118 117 119 0.08849 0.06029 0.00000 -0.13194 0.02277 0.00000 0.08141 0.08284 0.00000 -0.10418 multipole 119 117 120 0.04660 0.25752 0.00000 0.19196 0.36112 0.00000 -0.48799 -0.42867 0.00000 0.12687 multipole 120 119 124 -0.16996 0.07326 0.00000 0.05464 0.44029 0.00000 -0.71866 0.32632 0.00000 0.27837 multipole 121 120 124 0.13110 0.02575 0.00000 -0.14558 0.00657 0.00000 -0.01572 0.00411 0.00000 0.00915 multipole 122 119 126 0.08866 0.18994 0.00000 -0.17003 0.37335 0.00000 -0.27499 -0.18897 0.00000 -0.09836 multipole 123 122 126 0.02049 0.03210 0.00000 -0.20183 0.00721 0.00000 0.04324 0.00501 0.00000 -0.05045 multipole 124 120 126 0.34991 0.30562 0.00000 0.16281 -0.05686 0.00000 -0.39010 -0.16611 0.00000 0.44696 multipole 125 124 126 0.03404 0.02495 0.00000 -0.20391 0.00173 0.00000 -0.02858 0.01013 0.00000 0.02685 multipole 126 122 124 -0.50635 0.18134 0.00000 0.26499 -0.07393 0.00000 -0.04385 -0.12432 0.00000 0.11778 multipole 127 8 129 -0.11338 0.22119 0.00000 0.30702 -0.06116 0.00000 -0.60019 0.03111 0.00000 0.66135 multipole 128 127 129 0.08990 0.03505 0.00000 -0.12631 0.02431 0.00000 0.08784 0.08710 0.00000 -0.11215 multipole 129 127 130 0.20611 0.29762 0.00000 0.05580 0.13649 0.00000 -0.54039 -0.01448 0.00000 0.40390 multipole 130 129 133 -0.56975 0.21589 0.00000 0.18560 0.00927 0.00000 -0.03572 -0.10374 0.00000 0.02645 multipole 131 129 135 -0.02289 0.28325 0.00000 -0.15990 0.65227 0.00000 -0.37726 -0.23589 0.00000 -0.27501 multipole 132 131 135 0.03876 -0.00320 0.00000 -0.17520 0.06180 0.00000 0.00375 -0.07542 0.00000 -0.06555 multipole 133 130 135 0.33110 0.22778 0.00000 0.23060 0.19791 0.00000 -0.37320 -0.38619 0.00000 0.17529 multipole 134 133 135 0.03651 -0.02898 0.00000 -0.20060 0.03456 0.00000 -0.00906 -0.01436 0.00000 -0.02550 multipole 135 131 133 -0.13121 -0.01623 0.00000 0.07052 0.22148 0.00000 -0.71860 0.21693 0.00000 0.49712 multipole 136 135 133 0.10796 0.00816 0.00000 -0.20977 0.04667 0.00000 -0.02930 0.04575 0.00000 -0.01737 multipole 137 8 139 -0.33682 -0.09973 0.00000 0.38664 -0.56710 0.00000 -0.27996 0.12769 0.00000 0.84706 multipole 138 137 139 0.04965 0.04752 0.00000 -0.13859 0.11994 0.00000 0.04796 0.03771 0.00000 -0.16790 multipole 139 -140 -140 1.01811 0.00000 0.00000 -0.15412 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 multipole 140 139 140 -0.85879 0.08949 0.00000 -0.07764 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 multipole 141 8 143 -0.17303 0.44945 0.00000 0.30728 -0.07251 0.00000 -0.67903 0.08175 0.00000 0.75154 multipole 142 141 143 0.10446 -0.08174 0.00000 -0.18518 -0.00080 0.00000 0.13227 -0.04979 0.00000 -0.13147 multipole 143 -144 -145 0.85923 0.00000 0.00000 0.14630 0.26732 0.00000 -0.30726 0.00000 0.00000 0.03994 multipole 144 143 145 -0.63514 -0.04784 0.00000 -0.07224 -0.41873 0.00000 0.25275 -0.15048 0.00000 0.16598 multipole 145 143 144 -0.43939 0.21541 0.00000 -0.02221 0.36981 0.00000 -0.36139 -0.26932 0.00000 -0.00842 multipole 146 145 143 0.24242 -0.05297 0.00000 -0.03262 -0.15414 0.00000 -0.15395 -0.00414 0.00000 0.30809 multipole 147 8 149 -0.15914 0.20696 0.00000 0.39766 0.04998 0.00000 -0.56038 0.16613 0.00000 0.51040 multipole 148 147 149 0.10149 0.02977 0.00000 -0.15557 -0.01454 0.00000 0.17295 0.10589 0.00000 -0.15841 multipole 149 151 150 0.76984 0.28242 0.00000 -0.15875 0.01831 0.00000 -0.16686 0.09056 0.00000 0.14855 multipole 150 149 151 -0.74313 -0.04904 0.00000 -0.17638 -0.37631 0.00000 0.37623 -0.05205 0.00000 0.00008 multipole 151 149 150 -0.28938 0.12918 0.00000 -0.08416 0.48804 0.00000 -0.69748 -0.01277 0.00000 0.20944 multipole 152 151 149 0.14092 -0.00409 0.00000 -0.17075 0.00327 0.00000 -0.00106 0.19714 0.00000 -0.00221 multipole 153 8 155 -0.10324 0.09831 0.00000 0.33772 0.29786 0.00000 -0.73875 -0.12488 0.00000 0.44089 multipole 154 153 155 0.06492 0.02097 0.00000 -0.14796 0.09102 0.00000 0.12078 -0.12342 0.00000 -0.21180 multipole 155 153 157 -0.35416 -0.08035 0.00000 0.17352 -0.33142 0.00000 -0.02713 0.00000 0.00000 0.35855 multipole 156 155 157 0.06420 0.07412 0.00000 -0.09544 0.40117 0.00000 -0.10252 0.00000 0.00000 -0.29865 multipole 157 -158 -158 1.05691 0.00000 0.00000 0.00867 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 multipole 158 157 158 -0.89737 -0.03977 0.00000 -0.09456 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 multipole 159 8 161 -0.10668 0.29642 0.00000 0.28365 0.39855 0.00000 -0.41154 0.04273 0.00000 0.01299 multipole 160 159 8 0.09513 -0.05887 0.00000 -0.04640 -0.03611 0.00000 -0.02016 -0.01670 0.00000 0.05627 multipole 161 159 163 -0.23637 0.34729 0.00000 0.09253 -0.40537 0.00000 -0.00346 -0.52649 0.00000 0.40883 multipole 162 161 163 0.10600 -0.20910 0.00000 -0.08841 -0.14892 0.00000 0.17218 -0.34482 0.00000 -0.02326 multipole 163 -164 -165 0.90086 0.00000 0.00000 0.15301 0.12115 0.00000 0.03649 0.00828 0.00000 -0.15764 multipole 164 163 165 -0.60677 0.02332 0.00000 -0.04031 -0.46754 0.00000 0.22363 0.10574 0.00000 0.24391 multipole 165 163 164 -0.53100 0.05936 0.00000 -0.00202 0.03421 0.00000 0.00132 0.18532 0.00000 -0.03553 multipole 166 165 163 0.24071 -0.19323 0.00000 -0.29128 0.07422 0.00000 0.09278 -0.19140 0.00000 -0.16700 multipole 167 8 169 -0.07575 0.20886 0.00000 0.29708 0.20862 0.00000 -0.53751 -0.38031 0.00000 0.32889 multipole 168 167 8 0.09458 -0.04304 0.00000 -0.08810 -0.17118 0.00000 0.05903 0.10731 0.00000 0.11215 multipole 169 167 171 -0.27255 0.04245 0.00000 0.29740 0.02354 0.00000 -0.03872 0.02994 0.00000 0.01518 multipole 170 169 171 0.10149 0.02977 0.00000 -0.15557 -0.01454 0.00000 0.17295 0.10589 0.00000 -0.15841 multipole 171 173 172 0.76984 0.28242 0.00000 -0.15875 0.01831 0.00000 -0.16686 0.09056 0.00000 0.14855 multipole 172 171 173 -0.74313 -0.04904 0.00000 -0.17638 -0.37631 0.00000 0.37623 -0.05205 0.00000 0.00008 multipole 173 171 172 -0.28938 0.12918 0.00000 -0.08416 0.48804 0.00000 -0.69748 -0.01277 0.00000 0.20944 multipole 174 173 171 0.14092 -0.00409 0.00000 -0.17075 0.00327 0.00000 -0.00106 0.19714 0.00000 -0.00221 multipole 175 8 177 -0.14215 0.12943 0.00000 0.31867 0.18924 0.00000 -0.71964 -0.21203 0.00000 0.53040 multipole 176 175 177 0.08383 0.08229 0.00000 -0.07905 -0.01759 0.00000 0.08087 0.02604 0.00000 -0.06328 multipole 177 179 175 -0.22038 0.23726 0.00000 -0.16299 0.36732 0.00000 -0.44121 -0.37426 0.00000 0.07389 multipole 178 177 179 0.07884 0.03596 0.00000 -0.06087 -0.03114 0.00000 0.01997 0.06174 0.00000 0.01117 multipole 179 177 180 0.14780 0.54807 0.00000 0.51535 1.30094 0.00000 -2.99992 -0.76856 0.00000 1.69898 multipole 180 179 181 -0.21776 0.01805 0.00000 0.06009 -0.28800 0.00000 0.12124 -0.18981 0.00000 0.16676 multipole 181 180 179 0.05672 0.01469 0.00000 -0.10715 0.09749 0.00000 -0.02112 0.03039 0.00000 -0.07637 multipole 182 8 184 -0.08975 0.20388 0.00000 0.25551 0.08393 0.00000 -0.69546 -0.19022 0.00000 0.61153 multipole 183 182 184 0.08202 0.03852 0.00000 -0.09266 0.00460 0.00000 0.05897 -0.05937 0.00000 -0.06357 multipole 184 186 182 -0.21565 0.30101 0.00000 0.17456 0.15633 0.00000 -0.62215 -0.22099 0.00000 0.46582 multipole 185 184 185 0.08265 0.03106 0.00000 -0.09591 0.04227 0.00000 0.02301 0.08405 0.00000 -0.06528 multipole 186 188 184 -0.02245 0.22603 0.00000 0.33147 0.15933 0.00000 -0.60475 -0.25158 0.00000 0.44542 multipole 187 186 187 0.07982 -0.02778 0.00000 -0.06593 0.07962 0.00000 0.06169 0.09443 0.00000 -0.14131 multipole 188 190 186 -0.01637 0.17686 0.00000 0.14050 -0.14798 0.00000 -0.81782 -0.11856 0.00000 0.96580 multipole 189 188 189 0.09822 -0.04651 0.00000 -0.07618 -0.01229 0.00000 -0.00776 -0.13903 0.00000 0.02005 multipole 190 188 191 0.10000 0.03808 0.00000 0.22325 -0.22293 0.00000 -0.22476 0.00964 0.00000 0.44769 multipole 191 190 188 0.20727 0.03469 0.00000 -0.12995 -0.04317 0.00000 -0.08341 0.18046 0.00000 0.12658 multipole 192 8 194 -0.14610 0.04867 0.00000 0.34432 0.09079 0.00000 -0.55511 -0.18572 0.00000 0.46432 multipole 193 192 194 0.06260 0.02182 0.00000 -0.14723 0.09446 0.00000 0.10407 -0.12330 0.00000 -0.19853 multipole 194 196 192 -0.13934 0.20906 0.00000 0.01228 0.22665 0.00000 -0.42949 -0.27135 0.00000 0.20284 multipole 195 194 195 0.07212 0.00697 0.00000 -0.07338 0.14505 0.00000 -0.06944 0.16099 0.00000 -0.07561 multipole 196 198 194 -0.12642 0.20234 0.00000 0.13874 0.10501 0.00000 -0.54234 -0.24399 0.00000 0.43733 multipole 197 196 197 0.06261 -0.00129 0.00000 -0.07060 0.02999 0.00000 0.03807 0.03535 0.00000 -0.06806 multipole 198 200 196 0.04761 0.09262 0.00000 -0.03821 0.29739 0.00000 -0.34473 -0.15365 0.00000 0.04734 multipole 199 198 199 0.02822 -0.09076 0.00000 -0.01870 0.06435 0.00000 -0.07401 -0.07089 0.00000 0.00966 multipole 200 198 201 -0.20360 0.12136 0.00000 0.24914 -0.14128 0.00000 -0.79272 0.08516 0.00000 0.93400 multipole 201 200 198 0.08988 0.10885 0.00000 -0.33633 0.25980 0.00000 -0.00123 0.38791 0.00000 -0.25857 multipole 202 8 204 -0.09097 0.31208 0.00000 0.34711 0.26802 0.00000 -0.71303 0.08629 0.00000 0.44501 multipole 203 202 204 0.07770 -0.02034 0.00000 -0.11842 -0.07729 0.00000 0.11869 -0.15759 0.00000 -0.04140 multipole 204 202 206 -0.21722 0.33699 0.00000 0.20660 0.18535 0.00000 -0.29250 -0.24900 0.00000 0.10715 multipole 205 204 205 0.08258 0.04941 0.00000 -0.09810 0.14471 0.00000 -0.09703 0.04718 0.00000 -0.04768 multipole 206 204 208 -0.01121 0.30142 0.00000 0.15967 0.51002 0.00000 -0.64074 -0.39142 0.00000 0.13072 multipole 207 206 207 0.07564 -0.04299 0.00000 -0.06409 0.03411 0.00000 0.16042 0.14615 0.00000 -0.19453 multipole 208 206 210 -0.27936 -0.19230 0.00000 0.47650 0.08293 0.00000 -0.98827 0.10755 0.00000 0.90534 multipole 209 208 210 0.15532 -0.11954 0.00000 -0.12082 0.01544 0.00000 -0.19834 -0.04507 0.00000 0.18290 multipole 210 -211 -211 0.98761 0.00000 0.00000 -0.18100 -0.19176 0.00000 -0.18380 0.00000 0.00000 0.37556 multipole 211 210 211 -0.29224 -0.02579 0.00000 -0.18729 0.46099 0.00000 -0.80088 -0.06689 0.00000 0.33989 multipole 212 211 210 0.15787 0.00500 0.00000 -0.16579 0.13325 0.00000 -0.16718 -0.06599 0.00000 0.03393 multipole 213 8 215 -0.08587 0.20388 0.00000 0.25551 0.08393 0.00000 -0.69546 -0.19022 0.00000 0.61153 multipole 214 213 215 0.08588 0.03852 0.00000 -0.09266 0.00460 0.00000 0.05897 -0.05937 0.00000 -0.06357 multipole 215 217 213 -0.01858 0.22603 0.00000 0.33147 0.15933 0.00000 -0.60475 -0.25158 0.00000 0.44542 multipole 216 215 216 0.08368 -0.02778 0.00000 -0.06593 0.07962 0.00000 0.06169 0.09443 0.00000 -0.14131 multipole 217 219 215 -0.01249 0.17686 0.00000 0.14050 -0.14798 0.00000 -0.81782 -0.11856 0.00000 0.96580 multipole 218 217 218 0.10208 -0.04651 0.00000 -0.07618 -0.01229 0.00000 -0.00776 -0.13903 0.00000 0.02005 multipole 219 217 220 0.10000 0.03808 0.00000 0.22325 -0.22293 0.00000 -0.22476 0.00964 0.00000 0.44769 multipole 220 219 217 0.20727 0.03469 0.00000 -0.12995 -0.04317 0.00000 -0.08341 0.18046 0.00000 0.12658 multipole 221 223 224 -0.19058 -0.06827 0.00000 0.32517 -0.13529 0.00000 -0.15457 -0.05672 0.00000 0.28986 multipole 222 221 223 0.07778 -0.01715 0.00000 -0.10934 0.05355 0.00000 0.05042 -0.02825 0.00000 -0.10397 multipole 223 224 221 0.68484 -0.31279 0.00000 0.38571 0.14709 0.00000 -0.12737 0.07287 0.00000 -0.01972 multipole 224 223 221 -0.72760 0.09427 0.00000 -0.12507 -0.42919 0.00000 0.22290 0.14497 0.00000 0.20629 multipole 225 -226 -226 -0.30948 0.00000 0.00000 0.16462 0.51606 0.00000 -0.99579 0.00000 0.00000 0.47973 multipole 226 225 226 0.15474 -0.06307 0.00000 -0.12148 0.17239 0.00000 -0.07008 -0.03484 0.00000 -0.10231 multipole 227 229 228 -0.26804 0.11821 0.00000 0.25875 0.09964 0.00000 -0.79062 -0.22323 0.00000 0.69098 multipole 228 227 229 0.11919 0.04956 0.00000 -0.09552 0.10300 0.00000 -0.00278 -0.03565 0.00000 -0.10022 multipole 229 227 228 -0.00970 0.06190 0.00000 0.26240 -0.41933 0.00000 -0.31279 0.05123 0.00000 0.73212 multipole 230 229 227 0.05285 -0.00218 0.00000 -0.11166 0.02154 0.00000 0.04194 -0.06597 0.00000 -0.06348 multipole 231 2 232 0.07891 0.00245 0.00000 0.24784 -0.48795 0.00000 -0.41413 0.01190 0.00000 0.90208 multipole 231 8 232 0.11164 0.27906 0.00000 0.31455 -0.62632 0.00000 -0.62629 1.11853 0.00000 1.25261 multipole 231 48 232 0.11164 0.27906 0.00000 0.31455 -0.62632 0.00000 -0.62629 1.11853 0.00000 1.25261 multipole 232 231 2 0.26670 0.06933 0.00000 0.04172 -0.17154 0.00000 -0.07853 0.07867 0.00000 0.25007 multipole 232 231 8 0.21240 0.02872 0.00000 -0.04889 -0.22692 0.00000 0.04052 0.01035 0.00000 0.18640 multipole 232 231 48 0.21240 0.00000 0.00000 -0.12490 0.03622 0.00000 -0.01437 0.00000 0.00000 -0.02185 multipole 233 -234 -234 1.02670 0.00000 0.00000 -0.04116 0.39082 0.00000 -0.32381 0.00000 0.00000 -0.06701 multipole 234 233 234 -0.88956 0.17189 0.00000 -0.22995 -0.43857 0.00000 0.34721 0.38935 0.00000 0.09136 multipole 235 236 2 0.92336 -0.20027 0.00000 -0.03856 0.31193 0.00000 -0.40576 0.16648 0.00000 0.09383 multipole 235 236 8 0.83309 -0.40323 0.00000 0.21520 0.22432 0.00000 -0.07777 0.17848 0.00000 -0.14655 multipole 235 236 44 0.83309 -0.40323 0.00000 0.21520 0.22432 0.00000 -0.07777 0.17848 0.00000 -0.14655 multipole 236 235 2 -0.58827 0.04503 0.00000 -0.13615 -0.44066 0.00000 0.28331 0.05541 0.00000 0.15735 multipole 236 235 8 -0.61662 0.11446 0.00000 0.01734 -0.55506 0.00000 0.08419 0.16576 0.00000 0.47087 multipole 236 235 44 -0.61662 0.11446 0.00000 0.01734 -0.55506 0.00000 0.08419 0.16576 0.00000 0.47087 multipole 237 235 238 -0.46459 0.15200 0.00000 0.02356 0.42562 0.00000 -0.67227 -0.48912 0.00000 0.24665 multipole 238 237 235 0.24812 -0.03635 0.00000 -0.05034 -0.06195 0.00000 -0.06380 -0.05902 0.00000 0.12575 multipole 239 241 245 0.07219 0.28913 0.00000 0.29472 0.20132 0.00000 -0.54286 0.05155 0.00000 0.34154 multipole 240 239 240 0.23262 -0.02789 0.00000 -0.04288 0.00231 0.00000 0.03311 -0.02313 0.00000 -0.03542 multipole 241 239 242 -0.16428 0.16276 0.20457 0.47894 -0.28250 -0.26022 -0.34943 0.25272 -0.20303 0.63193 multipole 242 243 241 0.94625 0.00000 0.00000 0.32359 0.14171 0.00000 -0.31370 0.03825 0.00000 0.17199 multipole 243 242 241 -0.74794 0.02444 0.00000 -0.13267 -0.59982 0.00000 0.24285 -0.01926 0.00000 0.35697 multipole 244 241 55 0.12611 0.01772 0.00000 0.00501 0.02059 0.00000 -0.01260 0.01759 0.00000 -0.00799 multipole 245 57 239 -0.04567 0.56406 0.00000 0.09733 0.69818 0.00000 -0.78665 -0.18468 0.00000 0.08847 multipole 246 245 239 0.10559 -0.01503 0.00000 -0.07122 0.00434 0.00000 -0.00248 -0.01523 0.00000 -0.00186 multipole 247 -248 -248 -0.51966 0.00000 0.00000 0.14279 0.37928 0.00000 -0.41809 0.00000 0.00000 0.03881 multipole 248 247 248 0.25983 -0.03859 0.00000 -0.05818 -0.03673 0.00000 -0.10739 -0.00203 0.00000 0.14412 multipole 249 0 0 1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 multipole 250 0 0 1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 multipole 251 0 0 1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 multipole 252 0 0 1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 multipole 253 0 0 1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 multipole 254 0 0 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 multipole 255 0 0 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 multipole 256 0 0 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 multipole 257 0 0 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 multipole 258 0 0 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 multipole 259 0 0 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 multipole 260 0 0 -1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 multipole 261 0 0 -1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 multipole 262 0 0 -1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 multipole 263 0 0 -1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 ######################################## ## ## ## Dipole Polarizability Parameters ## ## ## ######################################## polarize 1 1.0730 0.3900 3 4 9 52 223 242 polarize 2 1.3340 0.3900 6 polarize 3 1.3340 0.3900 1 5 7 50 225 227 polarize 4 0.4960 0.3900 1 polarize 5 0.8370 0.3900 3 polarize 6 0.4960 0.3900 2 polarize 7 1.0730 0.3900 3 9 10 52 223 242 polarize 8 1.3340 0.3900 12 polarize 9 1.3340 0.3900 1 7 11 50 225 227 polarize 10 0.4960 0.3900 7 polarize 11 0.8370 0.3900 9 polarize 12 0.4960 0.3900 8 48 polarize 13 1.3340 0.3900 14 polarize 14 0.4960 0.3900 13 polarize 15 1.3340 0.3900 16 17 polarize 16 0.4960 0.3900 15 polarize 17 1.3340 0.3900 15 18 polarize 18 0.4960 0.3900 17 polarize 19 1.3340 0.3900 20 21 polarize 20 0.4960 0.3900 19 polarize 21 1.3340 0.3900 19 22 23 polarize 22 0.4960 0.3900 21 polarize 23 1.3340 0.3900 21 24 polarize 24 0.4960 0.3900 23 polarize 25 1.3340 0.3900 26 29 polarize 26 0.4960 0.3900 25 polarize 27 1.3340 0.3900 28 31 polarize 28 0.4960 0.3900 27 polarize 29 1.3340 0.3900 25 30 polarize 30 0.4960 0.3900 29 polarize 31 1.3340 0.3900 27 32 polarize 32 0.4960 0.3900 31 polarize 33 1.3340 0.3900 34 35 polarize 34 0.4960 0.3900 33 polarize 35 0.8370 0.3900 33 36 polarize 36 0.4960 0.3900 35 polarize 37 1.3340 0.3900 38 39 polarize 38 0.4960 0.3900 37 polarize 39 0.8370 0.3900 37 40 polarize 40 0.4960 0.3900 39 polarize 41 1.3340 0.3900 42 polarize 42 0.4960 0.3900 41 polarize 43 1.3340 0.3900 44 48 49 polarize 44 0.4960 0.3900 43 polarize 45 2.8000 0.3900 46 polarize 46 0.4960 0.3900 45 polarize 47 2.8000 0.3900 47 polarize 48 1.3340 0.3900 12 43 polarize 49 4.0000 0.3900 43 polarize 50 1.0730 0.3900 3 9 52 59 223 242 polarize 51 1.3340 0.3900 54 polarize 52 1.3340 0.3900 1 7 50 53 225 227 polarize 53 0.8370 0.3900 52 polarize 54 0.4960 0.3900 51 polarize 55 1.3340 0.3900 56 polarize 56 0.4960 0.3900 55 polarize 57 1.3340 0.3900 58 polarize 58 0.4960 0.3900 57 polarize 59 1.3340 0.3900 50 60 polarize 60 0.4960 0.3900 59 polarize 61 1.3340 0.3900 62 63 polarize 62 0.4960 0.3900 61 polarize 63 1.7500 0.3900 61 64 polarize 64 1.7500 0.3900 63 65 66 polarize 65 0.6960 0.3900 64 polarize 66 1.7500 0.3900 64 67 68 polarize 67 0.6960 0.3900 66 polarize 68 1.7500 0.3900 66 69 polarize 69 0.6960 0.3900 68 polarize 70 1.3340 0.3900 71 72 polarize 71 0.4960 0.3900 70 polarize 72 1.7500 0.3900 70 73 polarize 73 1.7500 0.3900 72 74 75 polarize 74 0.6960 0.3900 73 polarize 75 1.7500 0.3900 73 76 77 polarize 76 0.6960 0.3900 75 polarize 77 1.7500 0.3900 75 78 polarize 78 0.8370 0.3900 77 79 polarize 79 0.4960 0.3900 78 polarize 80 1.3340 0.3900 81 polarize 81 0.4960 0.3900 80 polarize 82 1.7500 0.3900 83 polarize 83 1.7500 0.3900 82 84 85 polarize 84 0.6960 0.3900 83 polarize 85 1.7500 0.3900 83 86 87 polarize 86 0.6960 0.3900 85 polarize 87 1.7500 0.3900 85 88 polarize 88 0.8370 0.3900 87 polarize 89 1.3340 0.3900 90 polarize 90 0.4960 0.3900 89 polarize 91 1.7500 0.3900 92 94 polarize 92 1.7500 0.3900 91 93 95 polarize 93 0.6960 0.3900 92 polarize 94 1.7500 0.3900 91 97 98 polarize 95 1.0730 0.3900 92 96 97 polarize 96 0.4960 0.3900 95 polarize 97 1.7500 0.3900 94 95 100 polarize 98 1.7500 0.3900 94 99 102 polarize 99 0.6960 0.3900 98 polarize 100 1.7500 0.3900 97 101 104 polarize 101 0.6960 0.3900 100 polarize 102 1.7500 0.3900 98 103 104 polarize 103 0.6960 0.3900 102 polarize 104 1.7500 0.3900 100 102 105 polarize 105 0.6960 0.3900 104 polarize 106 1.3340 0.3900 107 108 polarize 107 0.4960 0.3900 106 polarize 108 1.7500 0.3900 106 109 111 polarize 109 1.5000 0.3900 108 110 113 polarize 110 0.6960 0.3900 109 polarize 111 1.7500 0.3900 108 112 115 polarize 112 0.6960 0.3900 111 polarize 113 1.7500 0.3900 109 114 115 polarize 114 0.6960 0.3900 113 polarize 115 1.5000 0.3900 111 113 116 polarize 116 0.6960 0.3900 115 polarize 117 1.3340 0.3900 118 119 polarize 118 0.4960 0.3900 117 polarize 119 1.7500 0.3900 117 120 122 polarize 120 1.5000 0.3900 119 121 122 124 polarize 121 0.6960 0.3900 120 polarize 122 1.7500 0.3900 119 120 123 126 polarize 123 0.6960 0.3900 122 polarize 124 1.7500 0.3900 120 125 126 polarize 125 0.6960 0.3900 124 polarize 126 1.5000 0.3900 122 124 polarize 127 1.3340 0.3900 128 129 polarize 128 0.4960 0.3900 127 polarize 129 1.7500 0.3900 127 130 131 polarize 130 1.5000 0.3900 129 133 polarize 131 1.7500 0.3900 129 132 135 polarize 132 0.6960 0.3900 131 polarize 133 1.7500 0.3900 130 134 135 polarize 134 0.6960 0.3900 133 polarize 135 1.5000 0.3900 131 133 136 polarize 136 0.6960 0.3900 135 polarize 137 1.3340 0.3900 138 139 polarize 138 0.4960 0.3900 137 polarize 139 1.3340 0.3900 137 140 polarize 140 1.2000 0.3900 139 polarize 141 1.3340 0.3900 142 143 polarize 142 0.4960 0.3900 141 polarize 143 1.3340 0.3900 141 144 145 polarize 144 0.8370 0.3900 143 polarize 145 0.8370 0.3900 143 146 polarize 146 0.4960 0.3900 145 polarize 147 1.3340 0.3900 148 149 polarize 148 0.4960 0.3900 147 polarize 149 1.3340 0.3900 147 150 151 polarize 150 0.8340 0.3900 149 polarize 151 1.0730 0.3900 149 152 polarize 152 0.4960 0.3900 151 polarize 153 1.3340 0.3900 154 polarize 154 0.4960 0.3900 153 polarize 155 1.3340 0.3900 156 157 polarize 156 0.4960 0.3900 155 polarize 157 1.3340 0.3900 155 158 polarize 158 1.2000 0.3900 157 polarize 159 1.3340 0.3900 160 polarize 160 0.4960 0.3900 159 polarize 161 1.3340 0.3900 162 163 polarize 162 0.4960 0.3900 161 polarize 163 1.3340 0.3900 161 164 165 polarize 164 0.8370 0.3900 163 polarize 165 0.8370 0.3900 163 166 polarize 166 0.4960 0.3900 165 polarize 167 1.3340 0.3900 168 polarize 168 0.4960 0.3900 167 polarize 169 1.3340 0.3900 170 171 polarize 170 0.4960 0.3900 169 polarize 171 1.3340 0.3900 169 172 173 polarize 172 0.8340 0.3900 171 polarize 173 1.0730 0.3900 171 174 polarize 174 0.4960 0.3900 173 polarize 175 1.3340 0.3900 176 polarize 176 0.4960 0.3900 175 polarize 177 1.3340 0.3900 178 179 polarize 178 0.4960 0.3900 177 polarize 179 3.3000 0.3900 177 180 polarize 180 1.3340 0.3900 179 181 polarize 181 0.4960 0.3900 180 polarize 182 1.3340 0.3900 183 184 polarize 183 0.4960 0.3900 182 polarize 184 1.3340 0.3900 182 185 186 polarize 185 0.4960 0.3900 184 polarize 186 1.3340 0.3900 184 187 polarize 187 0.4960 0.3900 186 polarize 188 1.3340 0.3900 189 190 polarize 189 0.4960 0.3900 188 polarize 190 1.0730 0.3900 188 191 polarize 191 0.4960 0.3900 190 polarize 192 1.3340 0.3900 193 194 polarize 193 0.4960 0.3900 192 polarize 194 1.3340 0.3900 192 195 196 polarize 195 0.4960 0.3900 194 polarize 196 1.3340 0.3900 194 197 polarize 197 0.4960 0.3900 196 polarize 198 1.3340 0.3900 199 200 polarize 199 0.4960 0.3900 198 polarize 200 1.0730 0.3900 198 201 polarize 201 0.4960 0.3900 200 polarize 202 1.3340 0.3900 203 204 polarize 203 0.4960 0.3900 202 polarize 204 1.3340 0.3900 202 205 206 polarize 205 0.4960 0.3900 204 polarize 206 1.3340 0.3900 204 207 polarize 207 0.4960 0.3900 206 polarize 208 1.0730 0.3900 209 210 polarize 209 0.4960 0.3900 208 polarize 210 1.3340 0.3900 208 211 polarize 211 1.0730 0.3900 210 212 polarize 212 0.4960 0.3900 211 polarize 213 1.3340 0.3900 214 215 polarize 214 0.4960 0.3900 213 polarize 215 1.3340 0.3900 213 216 polarize 216 0.4960 0.3900 215 polarize 217 1.3340 0.3900 218 219 polarize 218 0.4960 0.3900 217 polarize 219 1.0730 0.3900 217 220 polarize 220 0.4960 0.3900 219 polarize 221 1.3340 0.3900 222 polarize 222 0.4960 0.3900 221 polarize 223 1.3340 0.3900 1 7 50 224 polarize 224 0.8370 0.3900 223 polarize 225 1.0730 0.3900 3 9 52 226 242 polarize 226 0.4960 0.3900 225 polarize 227 1.0730 0.3900 3 9 52 228 242 polarize 228 0.4960 0.3900 227 polarize 229 1.3340 0.3900 230 polarize 230 0.4960 0.3900 229 polarize 231 1.0730 0.3900 232 polarize 232 0.4960 0.3900 231 polarize 233 1.3340 0.3900 234 polarize 234 0.8370 0.3900 233 polarize 235 1.3340 0.3900 236 237 polarize 236 0.8370 0.3900 235 polarize 237 0.8370 0.3900 235 238 polarize 238 0.4960 0.3900 237 polarize 239 1.0730 0.3900 240 polarize 240 0.4960 0.3900 239 polarize 241 1.3340 0.3900 244 polarize 242 1.3340 0.3900 1 7 50 225 227 243 polarize 243 0.8370 0.3900 242 polarize 244 0.4960 0.3900 241 polarize 245 1.3340 0.3900 246 polarize 246 0.4960 0.3900 245 polarize 247 0.8370 0.3900 248 polarize 248 0.4960 0.3900 247 polarize 249 0.0280 0.3900 polarize 250 0.1200 0.3900 polarize 251 0.7800 0.3900 polarize 252 1.3500 0.3900 polarize 253 2.2600 0.3900 polarize 254 0.0100 0.0650 polarize 255 0.0800 0.1150 polarize 256 0.5500 0.1800 polarize 257 0.8200 0.1650 polarize 258 1.5100 0.3000 polarize 259 0.2600 0.2096 polarize 260 1.3500 0.3900 polarize 261 4.0000 0.3900 polarize 262 5.6500 0.3900 polarize 263 7.2500 0.3900 ##################################### ## ## ## Implicit Solvation Parameters ## ## ## ##################################### solute 1 2.8836 2.9900 3.2180 solute 2 3.3025 2.8540 4.9016 solute 3 4.2668 3.7760 3.8331 solute 4 3.6491 3.4040 2.9894 solute 5 2.9835 3.3560 2.9616 solute 6 3.0352 2.6860 3.3152 solute 7 2.8836 2.9900 3.2180 solute 8 3.3025 2.8540 4.9016 solute 9 4.2668 3.7760 3.8331 solute 10 3.6491 3.4040 2.9894 solute 11 2.9835 3.3560 2.9616 solute 12 3.0556 2.9960 4.0320 solute 13 3.5062 3.3090 4.5360 solute 14 3.1430 3.3740 4.1440 solute 15 3.3967 3.2550 4.7385 solute 16 2.9089 2.8360 3.5214 solute 17 3.5062 3.3090 4.5360 solute 18 3.1430 3.3740 4.1440 solute 19 3.3025 2.8540 4.9016 solute 20 3.0205 3.8850 4.0505 solute 21 3.3967 3.2550 4.7385 solute 22 2.9089 2.8360 3.5214 solute 23 3.5062 3.3090 4.5360 solute 24 3.1430 3.3740 4.1440 solute 25 3.3967 3.2550 4.7385 solute 26 2.9089 2.8360 3.5214 solute 27 3.3025 2.8540 4.9016 solute 28 3.0205 3.8850 4.0505 solute 29 3.5062 3.3090 4.5360 solute 30 3.1430 3.3740 4.1440 solute 31 3.5062 3.3090 4.5360 solute 32 3.1430 3.3740 4.1440 solute 33 3.3025 2.8540 4.9016 solute 34 3.6491 3.4040 2.9894 solute 35 3.1684 3.1340 3.0999 solute 36 2.6533 3.3920 2.9044 solute 37 3.3967 3.2550 4.7385 solute 38 3.6491 3.4040 2.9894 solute 39 3.1684 3.1340 3.0999 solute 40 2.6533 3.3920 2.9044 solute 41 3.5062 3.3090 4.5360 solute 42 3.1430 3.3740 4.1440 solute 43 3.3967 3.2550 4.7385 solute 44 2.6533 3.3920 2.9044 solute 45 4.4346 4.1940 4.5431 solute 46 2.9958 2.9280 3.3559 solute 47 4.4346 4.1940 4.5431 solute 48 3.3025 2.8540 4.9016 solute 49 3.6946 3.6500 3.6351 solute 50 2.8836 2.9900 3.2180 solute 51 3.3967 3.2550 4.7385 solute 52 4.2668 3.7760 3.8331 solute 53 2.9835 3.3560 2.9616 solute 54 3.0556 2.9960 4.0320 solute 55 3.3025 2.8540 4.9016 solute 56 3.9912 4.1440 3.8925 solute 57 3.3025 2.8540 4.9016 solute 58 3.9912 4.1440 3.8925 solute 59 3.3025 2.8540 4.9016 solute 60 3.0352 2.6860 3.3152 solute 61 3.3025 2.8540 4.9016 solute 62 3.0556 2.9960 4.0320 solute 63 3.6909 3.7660 4.4258 solute 64 3.8585 3.7660 3.8448 solute 65 3.0020 2.6350 3.3763 solute 66 3.8286 3.8930 4.5084 solute 67 3.0020 2.6350 3.3763 solute 68 3.8286 3.8930 4.5084 solute 69 3.0020 2.6350 3.3763 solute 70 3.3025 2.8540 4.9016 solute 71 3.0556 2.9960 4.0320 solute 72 3.6909 3.7660 4.4258 solute 73 3.8585 3.7660 3.8448 solute 74 3.0020 2.6350 3.3763 solute 75 3.8585 3.7660 3.8448 solute 76 3.0020 2.6350 3.3763 solute 77 3.6909 3.7660 4.4258 solute 78 3.1684 3.1340 3.0999 solute 79 2.6533 3.3920 2.9044 solute 80 3.3025 2.8540 4.9016 solute 81 3.0556 2.9960 4.0320 solute 82 3.6909 3.7660 4.4258 solute 83 3.8585 3.7660 3.8448 solute 84 3.0020 2.6350 3.3763 solute 85 3.8585 3.7660 3.8448 solute 86 3.0020 2.6350 3.3763 solute 87 3.6909 3.7660 4.4258 solute 88 2.6550 2.3880 2.6074 solute 89 3.3025 2.8540 4.9016 solute 90 3.0556 2.9960 4.0320 solute 91 3.8286 3.8930 4.5084 solute 92 3.8286 3.8930 4.5084 solute 93 2.9059 2.6020 2.5726 solute 94 3.8286 3.8930 4.5084 solute 95 3.6017 4.0340 3.4613 solute 96 2.9089 2.8360 3.5214 solute 97 3.8286 3.8930 4.5084 solute 98 3.8286 3.8930 4.5084 solute 99 3.0020 2.6350 3.3763 solute 100 3.8286 3.8930 4.5084 solute 101 3.0020 2.6350 3.3763 solute 102 3.8286 3.8930 4.5084 solute 103 3.0020 2.6350 3.3763 solute 104 3.8286 3.8930 4.5084 solute 105 3.0020 2.6350 3.3763 solute 106 3.3025 2.8540 4.9016 solute 107 3.0556 2.9960 4.0320 solute 108 3.8585 3.7660 3.8448 solute 109 2.2260 4.7000 3.2588 solute 110 3.6491 3.4040 2.9894 solute 111 3.8585 3.7660 3.8448 solute 112 2.9059 2.6020 2.5726 solute 113 3.8585 3.7660 3.8448 solute 114 2.9059 2.6020 2.5726 solute 115 2.2260 4.7000 3.2588 solute 116 3.6491 3.4040 2.9894 solute 117 3.3025 2.8540 4.9016 solute 118 3.0556 2.9960 4.0320 solute 119 3.8585 3.7660 3.8448 solute 120 3.6017 4.0340 3.4613 solute 121 2.9089 2.8360 3.5214 solute 122 3.8585 3.7660 3.8448 solute 123 2.9059 2.6020 2.5726 solute 124 3.8585 3.7660 3.8448 solute 125 2.9059 2.6020 2.5726 solute 126 3.6017 4.0340 3.4613 solute 127 3.3025 2.8540 4.9016 solute 128 3.0556 2.9960 4.0320 solute 129 3.8585 3.7660 3.8448 solute 130 3.6017 4.0340 3.4613 solute 131 3.8585 3.7660 3.8448 solute 132 2.9059 2.6020 2.5726 solute 133 3.8585 3.7660 3.8448 solute 134 2.9059 2.6020 2.5726 solute 135 3.6017 4.0340 3.4613 solute 136 2.9089 2.8360 3.5214 solute 137 3.3025 2.8540 4.9016 solute 138 3.0205 3.8850 4.0505 solute 139 3.3967 3.2550 4.7385 solute 140 3.0389 3.1560 3.2065 solute 141 3.3025 2.8540 4.9016 solute 142 3.0205 3.8850 4.0505 solute 143 4.2668 3.7760 3.8331 solute 144 2.9835 3.3560 2.9616 solute 145 3.3991 2.8190 2.9337 solute 146 2.5740 2.7580 2.9054 solute 147 3.3025 2.8540 4.9016 solute 148 3.0205 3.8850 4.0505 solute 149 3.3967 3.2550 4.7385 solute 150 2.9835 3.3560 2.9616 solute 151 3.4243 3.4910 4.2676 solute 152 2.9089 2.8360 3.5214 solute 153 3.3025 2.8540 4.9016 solute 154 3.0205 3.8850 4.0505 solute 155 3.3025 2.8540 4.9016 solute 156 3.0205 3.8850 4.0505 solute 157 3.3967 3.2550 4.7385 solute 158 3.0389 3.1560 3.2065 solute 159 3.3025 2.8540 4.9016 solute 160 3.0205 3.8850 4.0505 solute 161 3.3025 2.8540 4.9016 solute 162 3.0205 3.8850 4.0505 solute 163 4.2668 3.7760 3.8331 solute 164 2.9835 3.3560 2.9616 solute 165 3.3991 2.8190 2.9337 solute 166 2.5740 2.7580 2.9054 solute 167 3.3025 2.8540 4.9016 solute 168 3.0205 3.8850 4.0505 solute 169 3.3025 2.8540 4.9016 solute 170 3.0205 3.8850 4.0505 solute 171 3.3967 3.2550 4.7385 solute 172 2.9835 3.3560 2.9616 solute 173 3.4243 3.4910 4.2676 solute 174 2.9089 2.8360 3.5214 solute 175 3.3025 2.8540 4.9016 solute 176 3.0205 3.8850 4.0505 solute 177 3.3967 3.2550 4.7385 solute 178 2.6533 3.3920 2.9044 solute 179 4.4346 4.1940 4.5431 solute 180 3.3967 3.2550 4.7385 solute 181 2.6533 3.3920 2.9044 solute 182 3.3025 2.8540 4.9016 solute 183 3.0205 3.8850 4.0505 solute 184 3.3025 2.8540 4.9016 solute 185 3.0205 3.8850 4.0505 solute 186 3.3025 2.8540 4.9016 solute 187 3.9912 4.1440 3.8925 solute 188 3.3025 2.8540 4.9016 solute 189 3.0352 2.6860 3.3152 solute 190 2.2260 4.7000 3.2588 solute 191 3.0352 2.6860 3.3152 solute 192 3.3025 2.8540 4.9016 solute 193 3.0205 3.8850 4.0505 solute 194 3.3025 2.8540 4.9016 solute 195 3.0205 3.8850 4.0505 solute 196 3.3025 2.8540 4.9016 solute 197 3.9912 4.1440 3.8925 solute 198 3.3025 2.8540 4.9016 solute 199 3.0352 2.6860 3.3152 solute 200 2.8836 2.9900 3.2180 solute 201 3.6491 3.4040 2.9894 solute 202 3.3025 2.8540 4.9016 solute 203 3.0205 3.8850 4.0505 solute 204 3.3025 2.8540 4.9016 solute 205 3.9912 4.1440 3.8925 solute 206 3.3025 2.8540 4.9016 solute 207 3.0352 2.6860 3.3152 solute 208 2.2260 4.7000 3.2588 solute 209 3.6491 3.4040 2.9894 solute 210 2.9301 4.5060 4.2118 solute 211 2.2260 4.7000 3.2588 solute 212 2.9089 2.8360 3.5214 solute 213 3.3025 2.8540 4.9016 solute 214 3.0205 3.8850 4.0505 solute 215 3.3025 2.8540 4.9016 solute 216 3.9912 4.1440 3.8925 solute 217 3.3025 2.8540 4.9016 solute 218 3.0352 2.6860 3.3152 solute 219 2.8836 2.9900 3.2180 solute 220 3.6491 3.4040 2.9894 solute 221 3.5062 3.3090 4.5360 solute 222 2.9089 2.8360 3.5214 solute 223 3.3967 3.2550 4.7385 solute 224 2.9835 3.3560 2.9616 solute 225 3.4243 3.4910 4.2676 solute 226 2.9089 2.8360 3.5214 solute 227 3.4243 3.4910 4.2676 solute 228 2.9089 2.8360 3.5214 solute 229 3.5062 3.3090 4.5360 solute 230 2.2886 2.0030 2.6260 solute 231 2.2260 4.7000 3.2588 solute 232 3.0352 2.6860 3.3152 solute 233 3.3967 3.2550 4.7385 solute 234 3.0389 3.1560 3.2065 solute 235 4.2668 3.7760 3.8331 solute 236 2.9835 3.3560 2.9616 solute 237 3.3991 2.8190 2.9337 solute 238 2.5740 2.7580 2.9054 solute 239 2.2260 4.7000 3.2588 solute 240 3.0352 2.6860 3.3152 solute 241 3.3967 3.2550 4.7385 solute 242 4.2668 3.7760 3.8331 solute 243 2.9835 3.3560 2.9616 solute 244 3.0556 2.9960 4.0320 solute 245 3.3025 2.8540 4.9016 solute 246 3.0352 2.6860 3.3152 solute 247 3.1243 2.9060 2.7947 solute 248 2.5740 2.7580 2.9054 solute 249 2.7880 2.7880 2.7377 solute 250 3.5320 3.5320 3.4626 solute 251 4.3060 4.3060 4.1973 solute 252 4.6200 4.6200 4.4904 solute 253 4.9980 4.9980 4.8384 solute 254 1.8800 1.8800 1.8800 solute 255 3.0150 3.0150 2.9912 solute 256 3.6670 3.6670 3.6336 solute 259 2.8100 2.8100 2.7868 solute 260 2.7710 2.7710 2.7217 solute 261 3.7200 3.7200 3.6256 solute 262 4.0210 4.0210 3.9079 solute 263 4.4960 4.4960 4.3458 ######################################## ## ## ## Biopolymer Atom Type Conversions ## ## ## ######################################## biotype 1 N "Glycine" 1 biotype 2 CA "Glycine" 2 biotype 3 C "Glycine" 3 biotype 4 HN "Glycine" 4 biotype 5 O "Glycine" 5 biotype 6 HA "Glycine" 6 biotype 7 N "Alanine" 7 biotype 8 CA "Alanine" 8 biotype 9 C "Alanine" 9 biotype 10 HN "Alanine" 10 biotype 11 O "Alanine" 11 biotype 12 HA "Alanine" 12 biotype 13 CB "Alanine" 13 biotype 14 HB "Alanine" 14 biotype 15 N "Valine" 7 biotype 16 CA "Valine" 8 biotype 17 C "Valine" 9 biotype 18 HN "Valine" 10 biotype 19 O "Valine" 11 biotype 20 HA "Valine" 12 biotype 21 CB "Valine" 15 biotype 22 HB "Valine" 16 biotype 23 CG1 "Valine" 17 biotype 24 HG1 "Valine" 18 biotype 25 CG2 "Valine" 17 biotype 26 HG2 "Valine" 18 biotype 27 N "Leucine" 7 biotype 28 CA "Leucine" 8 biotype 29 C "Leucine" 9 biotype 30 HN "Leucine" 10 biotype 31 O "Leucine" 11 biotype 32 HA "Leucine" 12 biotype 33 CB "Leucine" 19 biotype 34 HB "Leucine" 20 biotype 35 CG "Leucine" 21 biotype 36 HG "Leucine" 22 biotype 37 CD1 "Leucine" 23 biotype 38 HD1 "Leucine" 24 biotype 39 CD2 "Leucine" 23 biotype 40 HD2 "Leucine" 24 biotype 41 N "Isoleucine" 7 biotype 42 CA "Isoleucine" 8 biotype 43 C "Isoleucine" 9 biotype 44 HN "Isoleucine" 10 biotype 45 O "Isoleucine" 11 biotype 46 HA "Isoleucine" 12 biotype 47 CB "Isoleucine" 25 biotype 48 HB "Isoleucine" 26 biotype 49 CG1 "Isoleucine" 27 biotype 50 HG1 "Isoleucine" 28 biotype 51 CG2 "Isoleucine" 29 biotype 52 HG2 "Isoleucine" 30 biotype 53 CD "Isoleucine" 31 biotype 54 HD "Isoleucine" 32 biotype 55 N "Serine" 7 biotype 56 CA "Serine" 8 biotype 57 C "Serine" 9 biotype 58 HN "Serine" 10 biotype 59 O "Serine" 11 biotype 60 HA "Serine" 12 biotype 61 CB "Serine" 33 biotype 62 HB "Serine" 34 biotype 63 OG "Serine" 35 biotype 64 HG "Serine" 36 biotype 65 N "Threonine" 7 biotype 66 CA "Threonine" 8 biotype 67 C "Threonine" 9 biotype 68 HN "Threonine" 10 biotype 69 O "Threonine" 11 biotype 70 HA "Threonine" 12 biotype 71 CB "Threonine" 37 biotype 72 HB "Threonine" 38 biotype 73 OG1 "Threonine" 39 biotype 74 HG1 "Threonine" 40 biotype 75 CG2 "Threonine" 41 biotype 76 HG2 "Threonine" 42 biotype 77 N "Cysteine (SH)" 7 biotype 78 CA "Cysteine (SH)" 8 biotype 79 C "Cysteine (SH)" 9 biotype 80 HN "Cysteine (SH)" 10 biotype 81 O "Cysteine (SH)" 11 biotype 82 HA "Cysteine (SH)" 12 biotype 83 CB "Cysteine (SH)" 43 biotype 84 HB "Cysteine (SH)" 44 biotype 85 SG "Cysteine (SH)" 45 biotype 86 HG "Cysteine (SH)" 46 biotype 87 N "Cystine (SS)" 7 biotype 88 CA "Cystine (SS)" 8 biotype 89 C "Cystine (SS)" 9 biotype 90 HN "Cystine (SS)" 10 biotype 91 O "Cystine (SS)" 11 biotype 92 HA "Cystine (SS)" 12 biotype 93 CB "Cystine (SS)" 43 biotype 94 HB "Cystine (SS)" 44 biotype 95 SG "Cystine (SS)" 47 biotype 96 N "Cysteine (S-)" 7 biotype 97 CA "Cysteine (S-)" 48 biotype 98 C "Cysteine (S-)" 9 biotype 99 HN "Cysteine (S-)" 10 biotype 100 O "Cysteine (S-)" 11 biotype 101 HA "Cysteine (S-)" 12 biotype 102 CB "Cysteine (S-)" 43 biotype 103 HB "Cysteine (S-)" 44 biotype 104 SG "Cysteine (S-)" 49 biotype 105 N "Proline" 50 biotype 106 CA "Proline" 51 biotype 107 C "Proline" 52 biotype 108 O "Proline" 53 biotype 109 HA "Proline" 54 biotype 110 CB "Proline" 55 biotype 111 HB "Proline" 56 biotype 112 CG "Proline" 57 biotype 113 HG "Proline" 58 biotype 114 CD "Proline" 59 biotype 115 HD "Proline" 60 biotype 116 N "Phenylalanine" 7 biotype 117 CA "Phenylalanine" 8 biotype 118 C "Phenylalanine" 9 biotype 119 HN "Phenylalanine" 10 biotype 120 O "Phenylalanine" 11 biotype 121 HA "Phenylalanine" 12 biotype 122 CB "Phenylalanine" 61 biotype 123 HB "Phenylalanine" 62 biotype 124 CG "Phenylalanine" 63 biotype 125 CD "Phenylalanine" 64 biotype 126 HD "Phenylalanine" 65 biotype 127 CE "Phenylalanine" 66 biotype 128 HE "Phenylalanine" 67 biotype 129 CZ "Phenylalanine" 68 biotype 130 HZ "Phenylalanine" 69 biotype 131 N "Tyrosine" 7 biotype 132 CA "Tyrosine" 8 biotype 133 C "Tyrosine" 9 biotype 134 HN "Tyrosine" 10 biotype 135 O "Tyrosine" 11 biotype 136 HA "Tyrosine" 12 biotype 137 CB "Tyrosine" 70 biotype 138 HB "Tyrosine" 71 biotype 139 CG "Tyrosine" 72 biotype 140 CD "Tyrosine" 73 biotype 141 HD "Tyrosine" 74 biotype 142 CE "Tyrosine" 75 biotype 143 HE "Tyrosine" 76 biotype 144 CZ "Tyrosine" 77 biotype 145 OH "Tyrosine" 78 biotype 146 HH "Tyrosine" 79 biotype 147 N "Tyrosine (O-)" 7 biotype 148 CA "Tyrosine (O-)" 8 biotype 149 C "Tyrosine (O-)" 9 biotype 150 HN "Tyrosine (O-)" 10 biotype 151 O "Tyrosine (O-)" 11 biotype 152 HA "Tyrosine (O-)" 12 biotype 153 CB "Tyrosine (O-)" 80 biotype 154 HB "Tyrosine (O-)" 81 biotype 155 CG "Tyrosine (O-)" 82 biotype 156 CD "Tyrosine (O-)" 83 biotype 157 HD "Tyrosine (O-)" 84 biotype 158 CE "Tyrosine (O-)" 85 biotype 159 HE "Tyrosine (O-)" 86 biotype 160 CZ "Tyrosine (O-)" 87 biotype 161 OH "Tyrosine (O-)" 88 biotype 162 N "Tryptophan" 7 biotype 163 CA "Tryptophan" 8 biotype 164 C "Tryptophan" 9 biotype 165 HN "Tryptophan" 10 biotype 166 O "Tryptophan" 11 biotype 167 HA "Tryptophan" 12 biotype 168 CB "Tryptophan" 89 biotype 169 HB "Tryptophan" 90 biotype 170 CG "Tryptophan" 91 biotype 171 CD1 "Tryptophan" 92 biotype 172 HD1 "Tryptophan" 93 biotype 173 CD2 "Tryptophan" 94 biotype 174 NE1 "Tryptophan" 95 biotype 175 HE1 "Tryptophan" 96 biotype 176 CE2 "Tryptophan" 97 biotype 177 CE3 "Tryptophan" 98 biotype 178 HE3 "Tryptophan" 99 biotype 179 CZ2 "Tryptophan" 100 biotype 180 HZ2 "Tryptophan" 101 biotype 181 CZ3 "Tryptophan" 102 biotype 182 HZ3 "Tryptophan" 103 biotype 183 CH2 "Tryptophan" 104 biotype 184 HH2 "Tryptophan" 105 biotype 185 N "Histidine (+)" 7 biotype 186 CA "Histidine (+)" 8 biotype 187 C "Histidine (+)" 9 biotype 188 HN "Histidine (+)" 10 biotype 189 O "Histidine (+)" 11 biotype 190 HA "Histidine (+)" 12 biotype 191 CB "Histidine (+)" 106 biotype 192 HB "Histidine (+)" 107 biotype 193 CG "Histidine (+)" 108 biotype 194 ND1 "Histidine (+)" 109 biotype 195 HD1 "Histidine (+)" 110 biotype 196 CD2 "Histidine (+)" 111 biotype 197 HD2 "Histidine (+)" 112 biotype 198 CE1 "Histidine (+)" 113 biotype 199 HE1 "Histidine (+)" 114 biotype 200 NE2 "Histidine (+)" 115 biotype 201 HE2 "Histidine (+)" 116 biotype 202 N "Histidine (HD)" 7 biotype 203 CA "Histidine (HD)" 8 biotype 204 C "Histidine (HD)" 9 biotype 205 HN "Histidine (HD)" 10 biotype 206 O "Histidine (HD)" 11 biotype 207 HA "Histidine (HD)" 12 biotype 208 CB "Histidine (HD)" 117 biotype 209 HB "Histidine (HD)" 118 biotype 210 CG "Histidine (HD)" 119 biotype 211 ND1 "Histidine (HD)" 120 biotype 212 HD1 "Histidine (HD)" 121 biotype 213 CD2 "Histidine (HD)" 122 biotype 214 HD2 "Histidine (HD)" 123 biotype 215 CE1 "Histidine (HD)" 124 biotype 216 HE1 "Histidine (HD)" 125 biotype 217 NE2 "Histidine (HD)" 126 biotype 218 N "Histidine (HE)" 7 biotype 219 CA "Histidine (HE)" 8 biotype 220 C "Histidine (HE)" 9 biotype 221 HN "Histidine (HE)" 10 biotype 222 O "Histidine (HE)" 11 biotype 223 HA "Histidine (HE)" 12 biotype 224 CB "Histidine (HE)" 127 biotype 225 HB "Histidine (HE)" 128 biotype 226 CG "Histidine (HE)" 129 biotype 227 ND1 "Histidine (HE)" 130 biotype 228 CD2 "Histidine (HE)" 131 biotype 229 HD2 "Histidine (HE)" 132 biotype 230 CE1 "Histidine (HE)" 133 biotype 231 HE1 "Histidine (HE)" 134 biotype 232 NE2 "Histidine (HE)" 135 biotype 233 HE2 "Histidine (HE)" 136 biotype 234 N "Aspartic Acid" 7 biotype 235 CA "Aspartic Acid" 8 biotype 236 C "Aspartic Acid" 9 biotype 237 HN "Aspartic Acid" 10 biotype 238 O "Aspartic Acid" 11 biotype 239 HA "Aspartic Acid" 12 biotype 240 CB "Aspartic Acid" 137 biotype 241 HB "Aspartic Acid" 138 biotype 242 CG "Aspartic Acid" 139 biotype 243 OD "Aspartic Acid" 140 biotype 244 N "Aspartic Acid (COOH)" 7 biotype 245 CA "Aspartic Acid (COOH)" 8 biotype 246 C "Aspartic Acid (COOH)" 9 biotype 247 HN "Aspartic Acid (COOH)" 10 biotype 248 O "Aspartic Acid (COOH)" 11 biotype 249 HA "Aspartic Acid (COOH)" 12 biotype 250 CB "Aspartic Acid (COOH)" 141 biotype 251 HB "Aspartic Acid (COOH)" 142 biotype 252 CG "Aspartic Acid (COOH)" 143 biotype 253 OD1 "Aspartic Acid (COOH)" 144 biotype 254 OD2 "Aspartic Acid (COOH)" 145 biotype 255 HD2 "Aspartic Acid (COOH)" 146 biotype 256 N "Asparagine" 7 biotype 257 CA "Asparagine" 8 biotype 258 C "Asparagine" 9 biotype 259 HN "Asparagine" 10 biotype 260 O "Asparagine" 11 biotype 261 HA "Asparagine" 12 biotype 262 CB "Asparagine" 147 biotype 263 HB "Asparagine" 148 biotype 264 CG "Asparagine" 149 biotype 265 OD1 "Asparagine" 150 biotype 266 ND2 "Asparagine" 151 biotype 267 HD2 "Asparagine" 152 biotype 268 N "Glutamic Acid" 7 biotype 269 CA "Glutamic Acid" 8 biotype 270 C "Glutamic Acid" 9 biotype 271 HN "Glutamic Acid" 10 biotype 272 O "Glutamic Acid" 11 biotype 273 HA "Glutamic Acid" 12 biotype 274 CB "Glutamic Acid" 153 biotype 275 HB "Glutamic Acid" 154 biotype 276 CG "Glutamic Acid" 155 biotype 277 HG "Glutamic Acid" 156 biotype 278 CD "Glutamic Acid" 157 biotype 279 OE "Glutamic Acid" 158 biotype 280 N "Glutamic Acid (COOH)" 7 biotype 281 CA "Glutamic Acid (COOH)" 8 biotype 282 C "Glutamic Acid (COOH)" 9 biotype 283 HN "Glutamic Acid (COOH)" 10 biotype 284 O "Glutamic Acid (COOH)" 11 biotype 285 HA "Glutamic Acid (COOH)" 12 biotype 286 CB "Glutamic Acid (COOH)" 159 biotype 287 HB "Glutamic Acid (COOH)" 160 biotype 288 CG "Glutamic Acid (COOH)" 161 biotype 289 HG "Glutamic Acid (COOH)" 162 biotype 290 CD "Glutamic Acid (COOH)" 163 biotype 291 OE1 "Glutamic Acid (COOH)" 164 biotype 292 OE2 "Glutamic Acid (COOH)" 165 biotype 293 HE2 "Glutamic Acid (COOH)" 166 biotype 294 N "Glutamine" 7 biotype 295 CA "Glutamine" 8 biotype 296 C "Glutamine" 9 biotype 297 HN "Glutamine" 10 biotype 298 O "Glutamine" 11 biotype 299 HA "Glutamine" 12 biotype 300 CB "Glutamine" 167 biotype 301 HB "Glutamine" 168 biotype 302 CG "Glutamine" 169 biotype 303 HG "Glutamine" 170 biotype 304 CD "Glutamine" 171 biotype 305 OE1 "Glutamine" 172 biotype 306 NE2 "Glutamine" 173 biotype 307 HE2 "Glutamine" 174 biotype 308 N "Methionine" 7 biotype 309 CA "Methionine" 8 biotype 310 C "Methionine" 9 biotype 311 HN "Methionine" 10 biotype 312 O "Methionine" 11 biotype 313 HA "Methionine" 12 biotype 314 CB "Methionine" 175 biotype 315 HB "Methionine" 176 biotype 316 CG "Methionine" 177 biotype 317 HG "Methionine" 178 biotype 318 SD "Methionine" 179 biotype 319 CE "Methionine" 180 biotype 320 HE "Methionine" 181 biotype 321 N "Lysine" 7 biotype 322 CA "Lysine" 8 biotype 323 C "Lysine" 9 biotype 324 HN "Lysine" 10 biotype 325 O "Lysine" 11 biotype 326 HA "Lysine" 12 biotype 327 CB "Lysine" 182 biotype 328 HB "Lysine" 183 biotype 329 CG "Lysine" 184 biotype 330 HG "Lysine" 185 biotype 331 CD "Lysine" 186 biotype 332 HD "Lysine" 187 biotype 333 CE "Lysine" 188 biotype 334 HE "Lysine" 189 biotype 335 NZ "Lysine" 190 biotype 336 HZ "Lysine" 191 biotype 337 N "Lysine (NH2)" 7 biotype 338 CA "Lysine (NH2)" 8 biotype 339 C "Lysine (NH2)" 9 biotype 340 HN "Lysine (NH2)" 10 biotype 341 O "Lysine (NH2)" 11 biotype 342 HA "Lysine (NH2)" 12 biotype 343 CB "Lysine (NH2)" 192 biotype 344 HB "Lysine (NH2)" 193 biotype 345 CG "Lysine (NH2)" 194 biotype 346 HG "Lysine (NH2)" 195 biotype 347 CD "Lysine (NH2)" 196 biotype 348 HD "Lysine (NH2)" 197 biotype 349 CE "Lysine (NH2)" 198 biotype 350 HE "Lysine (NH2)" 199 biotype 351 NZ "Lysine (NH2)" 200 biotype 352 HZ "Lysine (NH2)" 201 biotype 353 N "Arginine" 7 biotype 354 CA "Arginine" 8 biotype 355 C "Arginine" 9 biotype 356 HN "Arginine" 10 biotype 357 O "Arginine" 11 biotype 358 HA "Arginine" 12 biotype 359 CB "Arginine" 202 biotype 360 HB "Arginine" 203 biotype 361 CG "Arginine" 204 biotype 362 HG "Arginine" 205 biotype 363 CD "Arginine" 206 biotype 364 HD "Arginine" 207 biotype 365 NE "Arginine" 208 biotype 366 HE "Arginine" 209 biotype 367 CZ "Arginine" 210 biotype 368 NH "Arginine" 211 biotype 369 HH "Arginine" 212 biotype 370 N "Ornithine" 7 biotype 371 CA "Ornithine" 8 biotype 372 C "Ornithine" 9 biotype 373 HN "Ornithine" 10 biotype 374 O "Ornithine" 11 biotype 375 HA "Ornithine" 12 biotype 376 CB "Ornithine" 213 biotype 377 HB "Ornithine" 214 biotype 378 CG "Ornithine" 215 biotype 379 HG "Ornithine" 216 biotype 380 CD "Ornithine" 217 biotype 381 HD "Ornithine" 218 biotype 382 NE "Ornithine" 219 biotype 383 HE "Ornithine" 220 biotype 384 N "MethylAlanine (AIB)" -1 biotype 385 CA "MethylAlanine (AIB)" -1 biotype 386 C "MethylAlanine (AIB)" -1 biotype 387 HN "MethylAlanine (AIB)" -1 biotype 388 O "MethylAlanine (AIB)" -1 biotype 389 CB "MethylAlanine (AIB)" -1 biotype 390 HB "MethylAlanine (AIB)" -1 biotype 391 N "Pyroglutamic Acid" -1 biotype 392 CA "Pyroglutamic Acid" -1 biotype 393 C "Pyroglutamic Acid" -1 biotype 394 HN "Pyroglutamic Acid" -1 biotype 395 O "Pyroglutamic Acid" -1 biotype 396 HA "Pyroglutamic Acid" -1 biotype 397 CB "Pyroglutamic Acid" -1 biotype 398 HB "Pyroglutamic Acid" -1 biotype 399 CG "Pyroglutamic Acid" -1 biotype 400 HG "Pyroglutamic Acid" -1 biotype 401 CD "Pyroglutamic Acid" -1 biotype 402 OE "Pyroglutamic Acid" -1 biotype 403 N "N-Terminal GLY" 231 biotype 404 CA "N-Terminal GLY" 2 biotype 405 C "N-Terminal GLY" 3 biotype 406 HN "N-Terminal GLY" 232 biotype 407 O "N-Terminal GLY" 5 biotype 408 HA "N-Terminal GLY" 6 biotype 409 N "N-Terminal ALA" 231 biotype 410 CA "N-Terminal ALA" 8 biotype 411 C "N-Terminal ALA" 9 biotype 412 HN "N-Terminal ALA" 232 biotype 413 O "N-Terminal ALA" 11 biotype 414 HA "N-Terminal ALA" 12 biotype 415 N "N-Terminal VAL" 231 biotype 416 CA "N-Terminal VAL" 8 biotype 417 C "N-Terminal VAL" 9 biotype 418 HN "N-Terminal VAL" 232 biotype 419 O "N-Terminal VAL" 11 biotype 420 HA "N-Terminal VAL" 12 biotype 421 N "N-Terminal LEU" 231 biotype 422 CA "N-Terminal LEU" 8 biotype 423 C "N-Terminal LEU" 9 biotype 424 HN "N-Terminal LEU" 232 biotype 425 O "N-Terminal LEU" 11 biotype 426 HA "N-Terminal LEU" 12 biotype 427 N "N-Terminal ILE" 231 biotype 428 CA "N-Terminal ILE" 8 biotype 429 C "N-Terminal ILE" 9 biotype 430 HN "N-Terminal ILE" 232 biotype 431 O "N-Terminal ILE" 11 biotype 432 HA "N-Terminal ILE" 12 biotype 433 N "N-Terminal SER" 231 biotype 434 CA "N-Terminal SER" 8 biotype 435 C "N-Terminal SER" 9 biotype 436 HN "N-Terminal SER" 232 biotype 437 O "N-Terminal SER" 11 biotype 438 HA "N-Terminal SER" 12 biotype 439 N "N-Terminal THR" 231 biotype 440 CA "N-Terminal THR" 8 biotype 441 C "N-Terminal THR" 9 biotype 442 HN "N-Terminal THR" 232 biotype 443 O "N-Terminal THR" 11 biotype 444 HA "N-Terminal THR" 12 biotype 445 N "N-Terminal CYS (SH)" 231 biotype 446 CA "N-Terminal CYS (SH)" 8 biotype 447 C "N-Terminal CYS (SH)" 9 biotype 448 HN "N-Terminal CYS (SH)" 232 biotype 449 O "N-Terminal CYS (SH)" 11 biotype 450 HA "N-Terminal CYS (SH)" 12 biotype 451 N "N-Terminal CYX (SS)" 231 biotype 452 CA "N-Terminal CYX (SS)" 8 biotype 453 C "N-Terminal CYX (SS)" 9 biotype 454 HN "N-Terminal CYX (SS)" 232 biotype 455 O "N-Terminal CYX (SS)" 11 biotype 456 HA "N-Terminal CYX (SS)" 12 biotype 457 N "N-Terminal CYD (S-)" 231 biotype 458 CA "N-Terminal CYD (S-)" 48 biotype 459 C "N-Terminal CYD (S-)" 9 biotype 460 HN "N-Terminal CYD (S-)" 232 biotype 461 O "N-Terminal CYD (S-)" 11 biotype 462 HA "N-Terminal CYD (S-)" 12 biotype 463 N "N-Terminal PRO" 239 biotype 464 CA "N-Terminal PRO" 241 biotype 465 C "N-Terminal PRO" 242 biotype 466 HN "N-Terminal PRO" 240 biotype 467 O "N-Terminal PRO" 243 biotype 468 HA "N-Terminal PRO" 244 biotype 469 CD "N-Terminal PRO" 245 biotype 470 HD "N-Terminal PRO" 246 biotype 471 N "N-Terminal PHE" 231 biotype 472 CA "N-Terminal PHE" 8 biotype 473 C "N-Terminal PHE" 9 biotype 474 HN "N-Terminal PHE" 232 biotype 475 O "N-Terminal PHE" 11 biotype 476 HA "N-Terminal PHE" 12 biotype 477 N "N-Terminal TYR" 231 biotype 478 CA "N-Terminal TYR" 8 biotype 479 C "N-Terminal TYR" 9 biotype 480 HN "N-Terminal TYR" 232 biotype 481 O "N-Terminal TYR" 11 biotype 482 HA "N-Terminal TYR" 12 biotype 483 N "N-Terminal TYD (O-)" 231 biotype 484 CA "N-Terminal TYD (O-)" 8 biotype 485 C "N-Terminal TYD (O-)" 9 biotype 486 HN "N-Terminal TYD (O-)" 232 biotype 487 O "N-Terminal TYD (O-)" 11 biotype 488 HA "N-Terminal TYD (O-)" 12 biotype 489 N "N-Terminal TRP" 231 biotype 490 CA "N-Terminal TRP" 8 biotype 491 C "N-Terminal TRP" 9 biotype 492 HN "N-Terminal TRP" 232 biotype 493 O "N-Terminal TRP" 11 biotype 494 HA "N-Terminal TRP" 12 biotype 495 N "N-Terminal HIS (+)" 231 biotype 496 CA "N-Terminal HIS (+)" 8 biotype 497 C "N-Terminal HIS (+)" 9 biotype 498 HN "N-Terminal HIS (+)" 232 biotype 499 O "N-Terminal HIS (+)" 11 biotype 500 HA "N-Terminal HIS (+)" 12 biotype 501 N "N-Terminal HIS (HD)" 231 biotype 502 CA "N-Terminal HIS (HD)" 8 biotype 503 C "N-Terminal HIS (HD)" 9 biotype 504 HN "N-Terminal HIS (HD)" 232 biotype 505 O "N-Terminal HIS (HD)" 11 biotype 506 HA "N-Terminal HIS (HD)" 12 biotype 507 N "N-Terminal HIS (HE)" 231 biotype 508 CA "N-Terminal HIS (HE)" 8 biotype 509 C "N-Terminal HIS (HE)" 9 biotype 510 HN "N-Terminal HIS (HE)" 232 biotype 511 O "N-Terminal HIS (HE)" 11 biotype 512 HA "N-Terminal HIS (HE)" 12 biotype 513 N "N-Terminal ASP" 231 biotype 514 CA "N-Terminal ASP" 8 biotype 515 C "N-Terminal ASP" 9 biotype 516 HN "N-Terminal ASP" 232 biotype 517 O "N-Terminal ASP" 11 biotype 518 HA "N-Terminal ASP" 12 biotype 519 N "N-Terminal ASH (COOH)" 231 biotype 520 CA "N-Terminal ASH (COOH)" 8 biotype 521 C "N-Terminal ASH (COOH)" 9 biotype 522 HN "N-Terminal ASH (COOH)" 232 biotype 523 O "N-Terminal ASH (COOH)" 11 biotype 524 HA "N-Terminal ASH (COOH)" 12 biotype 525 N "N-Terminal ASN" 231 biotype 526 CA "N-Terminal ASN" 8 biotype 527 C "N-Terminal ASN" 9 biotype 528 HN "N-Terminal ASN" 232 biotype 529 O "N-Terminal ASN" 11 biotype 530 HA "N-Terminal ASN" 12 biotype 531 N "N-Terminal GLU" 231 biotype 532 CA "N-Terminal GLU" 8 biotype 533 C "N-Terminal GLU" 9 biotype 534 HN "N-Terminal GLU" 232 biotype 535 O "N-Terminal GLU" 11 biotype 536 HA "N-Terminal GLU" 12 biotype 537 N "N-Terminal GLH (COOH)" 231 biotype 538 CA "N-Terminal GLH (COOH)" 8 biotype 539 C "N-Terminal GLH (COOH)" 9 biotype 540 HN "N-Terminal GLH (COOH)" 232 biotype 541 O "N-Terminal GLH (COOH)" 11 biotype 542 HA "N-Terminal GLH (COOH)" 12 biotype 543 N "N-Terminal GLN" 231 biotype 544 CA "N-Terminal GLN" 8 biotype 545 C "N-Terminal GLN" 9 biotype 546 HN "N-Terminal GLN" 232 biotype 547 O "N-Terminal GLN" 11 biotype 548 HA "N-Terminal GLN" 12 biotype 549 N "N-Terminal MET" 231 biotype 550 CA "N-Terminal MET" 8 biotype 551 C "N-Terminal MET" 9 biotype 552 HN "N-Terminal MET" 232 biotype 553 O "N-Terminal MET" 11 biotype 554 HA "N-Terminal MET" 12 biotype 555 N "N-Terminal LYS" 231 biotype 556 CA "N-Terminal LYS" 8 biotype 557 C "N-Terminal LYS" 9 biotype 558 HN "N-Terminal LYS" 232 biotype 559 O "N-Terminal LYS" 11 biotype 560 HA "N-Terminal LYS" 12 biotype 561 N "N-Terminal LYD (NH2)" 231 biotype 562 CA "N-Terminal LYD (NH2)" 8 biotype 563 C "N-Terminal LYD (NH2)" 9 biotype 564 HN "N-Terminal LYD (NH2)" 232 biotype 565 O "N-Terminal LYD (NH2)" 11 biotype 566 HA "N-Terminal LYD (NH2)" 12 biotype 567 N "N-Terminal ARG" 231 biotype 568 CA "N-Terminal ARG" 8 biotype 569 C "N-Terminal ARG" 9 biotype 570 HN "N-Terminal ARG" 232 biotype 571 O "N-Terminal ARG" 11 biotype 572 HA "N-Terminal ARG" 12 biotype 573 N "N-Terminal ORN" 231 biotype 574 CA "N-Terminal ORN" 8 biotype 575 C "N-Terminal ORN" 9 biotype 576 HN "N-Terminal ORN" 232 biotype 577 O "N-Terminal ORN" 11 biotype 578 HA "N-Terminal ORN" 12 biotype 579 N "N-Terminal AIB" -1 biotype 580 CA "N-Terminal AIB" -1 biotype 581 C "N-Terminal AIB" -1 biotype 582 HN "N-Terminal AIB" -1 biotype 583 O "N-Terminal AIB" -1 biotype 584 N "C-Terminal GLY" 1 biotype 585 CA "C-Terminal GLY" 2 biotype 586 C "C-Terminal GLY" 233 biotype 587 HN "C-Terminal GLY" 4 biotype 588 OXT "C-Terminal GLY" 234 biotype 589 HA "C-Terminal GLY" 6 biotype 590 N "C-Terminal ALA" 7 biotype 591 CA "C-Terminal ALA" 8 biotype 592 C "C-Terminal ALA" 233 biotype 593 HN "C-Terminal ALA" 10 biotype 594 OXT "C-Terminal ALA" 234 biotype 595 HA "C-Terminal ALA" 12 biotype 596 N "C-Terminal VAL" 7 biotype 597 CA "C-Terminal VAL" 8 biotype 598 C "C-Terminal VAL" 233 biotype 599 HN "C-Terminal VAL" 10 biotype 600 OXT "C-Terminal VAL" 234 biotype 601 HA "C-Terminal VAL" 12 biotype 602 N "C-Terminal LEU" 7 biotype 603 CA "C-Terminal LEU" 8 biotype 604 C "C-Terminal LEU" 233 biotype 605 HN "C-Terminal LEU" 10 biotype 606 OXT "C-Terminal LEU" 234 biotype 607 HA "C-Terminal LEU" 12 biotype 608 N "C-Terminal ILE" 7 biotype 609 CA "C-Terminal ILE" 8 biotype 610 C "C-Terminal ILE" 233 biotype 611 HN "C-Terminal ILE" 10 biotype 612 OXT "C-Terminal ILE" 234 biotype 613 HA "C-Terminal ILE" 12 biotype 614 N "C-Terminal SER" 7 biotype 615 CA "C-Terminal SER" 8 biotype 616 C "C-Terminal SER" 233 biotype 617 HN "C-Terminal SER" 10 biotype 618 OXT "C-Terminal SER" 234 biotype 619 HA "C-Terminal SER" 12 biotype 620 N "C-Terminal THR" 7 biotype 621 CA "C-Terminal THR" 8 biotype 622 C "C-Terminal THR" 233 biotype 623 HN "C-Terminal THR" 10 biotype 624 OXT "C-Terminal THR" 234 biotype 625 HA "C-Terminal THR" 12 biotype 626 N "C-Terminal CYS (SH)" 7 biotype 627 CA "C-Terminal CYS (SH)" 8 biotype 628 C "C-Terminal CYS (SH)" 233 biotype 629 HN "C-Terminal CYS (SH)" 10 biotype 630 OXT "C-Terminal CYS (SH)" 234 biotype 631 HA "C-Terminal CYS (SH)" 12 biotype 632 N "C-Terminal CYX (SS)" 7 biotype 633 CA "C-Terminal CYX (SS)" 8 biotype 634 C "C-Terminal CYX (SS)" 233 biotype 635 HN "C-Terminal CYX (SS)" 10 biotype 636 OXT "C-Terminal CYX (SS)" 234 biotype 637 HA "C-Terminal CYX (SS)" 12 biotype 638 N "C-Terminal CYD (S-)" 7 biotype 639 CA "C-Terminal CYD (S-)" 48 biotype 640 C "C-Terminal CYD (S-)" 233 biotype 641 HN "C-Terminal CYD (S-)" 10 biotype 642 OXT "C-Terminal CYD (S-)" 234 biotype 643 HA "C-Terminal CYD (S-)" 12 biotype 644 N "C-Terminal PRO" 50 biotype 645 CA "C-Terminal PRO" 51 biotype 646 C "C-Terminal PRO" 233 biotype 647 OXT "C-Terminal PRO" 234 biotype 648 HA "C-Terminal PRO" 54 biotype 649 N "C-Terminal PHE" 7 biotype 650 CA "C-Terminal PHE" 8 biotype 651 C "C-Terminal PHE" 233 biotype 652 HN "C-Terminal PHE" 10 biotype 653 OXT "C-Terminal PHE" 234 biotype 654 HA "C-Terminal PHE" 12 biotype 655 N "C-Terminal TYR" 7 biotype 656 CA "C-Terminal TYR" 8 biotype 657 C "C-Terminal TYR" 233 biotype 658 HN "C-Terminal TYR" 10 biotype 659 OXT "C-Terminal TYR" 234 biotype 660 HA "C-Terminal TYR" 12 biotype 661 N "C-Terminal TYD (O-)" 7 biotype 662 CA "C-Terminal TYD (O-)" 8 biotype 663 C "C-Terminal TYD (O-)" 233 biotype 664 HN "C-Terminal TYD (O-)" 10 biotype 665 OXT "C-Terminal TYD (O-)" 234 biotype 666 HA "C-Terminal TYD (O-)" 12 biotype 667 N "C-Terminal TRP" 7 biotype 668 CA "C-Terminal TRP" 8 biotype 669 C "C-Terminal TRP" 233 biotype 670 HN "C-Terminal TRP" 10 biotype 671 OXT "C-Terminal TRP" 234 biotype 672 HA "C-Terminal TRP" 12 biotype 673 N "C-Terminal HIS (+)" 7 biotype 674 CA "C-Terminal HIS (+)" 8 biotype 675 C "C-Terminal HIS (+)" 233 biotype 676 HN "C-Terminal HIS (+)" 10 biotype 677 OXT "C-Terminal HIS (+)" 234 biotype 678 HA "C-Terminal HIS (+)" 12 biotype 679 N "C-Terminal HIS (HD)" 7 biotype 680 CA "C-Terminal HIS (HD)" 8 biotype 681 C "C-Terminal HIS (HD)" 233 biotype 682 HN "C-Terminal HIS (HD)" 10 biotype 683 OXT "C-Terminal HIS (HD)" 234 biotype 684 HA "C-Terminal HIS (HD)" 12 biotype 685 N "C-Terminal HIS (HE)" 7 biotype 686 CA "C-Terminal HIS (HE)" 8 biotype 687 C "C-Terminal HIS (HE)" 233 biotype 688 HN "C-Terminal HIS (HE)" 10 biotype 689 OXT "C-Terminal HIS (HE)" 234 biotype 690 HA "C-Terminal HIS (HE)" 12 biotype 691 N "C-Terminal ASP" 7 biotype 692 CA "C-Terminal ASP" 8 biotype 693 C "C-Terminal ASP" 233 biotype 694 HN "C-Terminal ASP" 10 biotype 695 OXT "C-Terminal ASP" 234 biotype 696 HA "C-Terminal ASP" 12 biotype 697 N "C-Terminal ASH (COOH)" 7 biotype 698 CA "C-Terminal ASH (COOH)" 8 biotype 699 C "C-Terminal ASH (COOH)" 233 biotype 700 HN "C-Terminal ASH (COOH)" 10 biotype 701 OXT "C-Terminal ASH (COOH)" 234 biotype 702 HA "C-Terminal ASH (COOH)" 12 biotype 703 N "C-Terminal ASN" 7 biotype 704 CA "C-Terminal ASN" 8 biotype 705 C "C-Terminal ASN" 233 biotype 706 HN "C-Terminal ASN" 10 biotype 707 OXT "C-Terminal ASN" 234 biotype 708 HA "C-Terminal ASN" 12 biotype 709 N "C-Terminal GLU" 7 biotype 710 CA "C-Terminal GLU" 8 biotype 711 C "C-Terminal GLU" 233 biotype 712 HN "C-Terminal GLU" 10 biotype 713 OXT "C-Terminal GLU" 234 biotype 714 HA "C-Terminal GLU" 12 biotype 715 N "C-Terminal GLH (COOH)" 7 biotype 716 CA "C-Terminal GLH (COOH)" 8 biotype 717 C "C-Terminal GLH (COOH)" 233 biotype 718 HN "C-Terminal GLH (COOH)" 10 biotype 719 OXT "C-Terminal GLH (COOH)" 234 biotype 720 HA "C-Terminal GLH (COOH)" 12 biotype 721 N "C-Terminal GLN" 7 biotype 722 CA "C-Terminal GLN" 8 biotype 723 C "C-Terminal GLN" 233 biotype 724 HN "C-Terminal GLN" 10 biotype 725 OXT "C-Terminal GLN" 234 biotype 726 HA "C-Terminal GLN" 12 biotype 727 N "C-Terminal MET" 7 biotype 728 CA "C-Terminal MET" 8 biotype 729 C "C-Terminal MET" 233 biotype 730 HN "C-Terminal MET" 10 biotype 731 OXT "C-Terminal MET" 234 biotype 732 HA "C-Terminal MET" 12 biotype 733 N "C-Terminal LYS" 7 biotype 734 CA "C-Terminal LYS" 8 biotype 735 C "C-Terminal LYS" 233 biotype 736 HN "C-Terminal LYS" 10 biotype 737 OXT "C-Terminal LYS" 234 biotype 738 HA "C-Terminal LYS" 12 biotype 739 N "C-Terminal LYD (NH2)" 7 biotype 740 CA "C-Terminal LYD (NH2)" 8 biotype 741 C "C-Terminal LYD (NH2)" 233 biotype 742 HN "C-Terminal LYD (NH2)" 10 biotype 743 OXT "C-Terminal LYD (NH2)" 234 biotype 744 HA "C-Terminal LYD (NH2)" 12 biotype 745 N "C-Terminal ARG" 7 biotype 746 CA "C-Terminal ARG" 8 biotype 747 C "C-Terminal ARG" 233 biotype 748 HN "C-Terminal ARG" 10 biotype 749 OXT "C-Terminal ARG" 234 biotype 750 HA "C-Terminal ARG" 12 biotype 751 N "C-Terminal ORN" 7 biotype 752 CA "C-Terminal ORN" 8 biotype 753 C "C-Terminal ORN" 233 biotype 754 HN "C-Terminal ORN" 10 biotype 755 OXT "C-Terminal ORN" 234 biotype 756 HA "C-Terminal ORN" 12 biotype 757 N "C-Terminal AIB" -1 biotype 758 CA "C-Terminal AIB" -1 biotype 759 C "C-Terminal AIB" -1 biotype 760 HN "C-Terminal AIB" -1 biotype 761 OXT "C-Terminal AIB" -1 biotype 762 N "Deprotonated N-Terminus" -1 biotype 763 H "Deprotonated N-Terminus" -1 biotype 764 C "Formyl N-Terminus" -1 biotype 765 H "Formyl N-Terminus" -1 biotype 766 O "Formyl N-Terminus" -1 biotype 767 CH3 "Acetyl N-Terminus" 221 biotype 768 H "Acetyl N-Terminus" 222 biotype 769 C "Acetyl N-Terminus" 223 biotype 770 O "Acetyl N-Terminus" 224 biotype 771 C "Protonated C-Terminus" 235 biotype 772 O "Protonated C-Terminus" 236 biotype 773 OH "Protonated C-Terminus" 237 biotype 774 HO "Protonated C-Terminus" 238 biotype 775 N "Amide C-Terminus" 225 biotype 776 HN "Amide C-Terminus" 226 biotype 777 N "N-MeAmide C-Terminus" 227 biotype 778 HN "N-MeAmide C-Terminus" 228 biotype 779 CH3 "N-MeAmide C-Terminus" 229 biotype 780 H "N-MeAmide C-Terminus" 230 biotype 2001 O "Water" 247 biotype 2002 H "Water" 248 biotype 2003 LI "Lithium Ion" 249 biotype 2004 NA "Sodium Ion" 250 biotype 2005 K "Potassium Ion" 251 biotype 2006 RB "Rubidium Ion" 252 biotype 2007 CS "Cesium Ion" 253 biotype 2008 MG "Magnesium Ion" 255 biotype 2009 CA "Calcium Ion" 256 biotype 2010 SR "Strontium Ion" 257 biotype 2011 BA "Barium Ion" 258 biotype 2012 F "Fluoride Ion" 260 biotype 2013 CL "Chloride Ion" 261 biotype 2014 BR "Bromide Ion" 262 biotype 2015 I "Iodide Ion" 263 biotype 2016 ZN "Zinc Ion" 259