1 2 ############################## 3 ## ## 4 ## Force Field Definition ## 5 ## ## 6 ############################## 7 8 9forcefield MM2-1991 10 11bondunit 71.94 12bond-cubic -2.0 13bond-quartic 1.25 !! keeps Ebond positive; not in "real" MM2 14angleunit 0.02191418 15angle-sextic 0.00000007 16strbndunit 2.51118 17mm2-strbnd 18opbendunit 0.02191418 19torsionunit 0.5 20vdwtype BUCKINGHAM 21radiusrule ARITHMETIC 22radiustype R-MIN 23radiussize RADIUS 24epsilonrule GEOMETRIC 25a-expterm 290000.0 26b-expterm 12.5 27c-expterm 2.25 28vdw-14-scale 1.0 29chg-14-scale 1.0 30dielectric 1.5 31 32 33 ############################# 34 ## ## 35 ## Literature References ## 36 ## ## 37 ############################# 38 39 40N. L. Allinger, "Conformational Analysis. 130. MM2. A Hydrocarbon 41Force Field Utilizing V1 and V2 Torsional Terms", J. Am. Chem. Soc., 4299, 8127-8134 (1977) 43 44J. T. Sprague, J. C. Tai, Y. Yuh and N. L. Allinger, "The MMP2 45Calculational Method", J. Comput. Chem., 8, 581-603 (1987) 46 47N. L. Allinger, R. A. Kok and M. R. Imam, "Hydrogen Bonding in MM2", 48J. Comput. Chem., 9, 591-595 (1988) 49 50All parameters in this file are from the "MM2 (1991) Parameter Set", 51as provided by Prof. N. L. Allinger, University of Georgia 52 53 54 ############################# 55 ## ## 56 ## Atom Type Definitions ## 57 ## ## 58 ############################# 59 60 61atom 1 C "CSP3 ALKANE" 6 12.000 4 62atom 2 C "CSP2 ALKENE" 6 12.000 3 63atom 3 C "CSP2 CARBONYL" 6 12.000 3 64atom 4 C "CSP ALKYNE, C=C=O" 6 12.000 2 65atom 5 H "NONPOLAR HYDROGEN" 1 1.008 1 66atom 6 O "-O- ALCOHOL, ETHER" 8 15.995 4 67atom 7 O "=O CARBONYL" 8 15.995 1 68atom 8 N "NSP3" 7 14.003 4 69atom 9 N "NSP2 AMIDE" 7 14.003 3 70atom 10 N "NSP" 7 14.003 1 71atom 11 F "FLUORIDE" 9 18.998 1 72atom 12 Cl "CHLORIDE" 17 34.969 1 73atom 13 Br "BROMIDE" 35 78.918 1 74atom 14 I "IODIDE" 53 126.900 1 75atom 15 S "-S- SULFIDE" 16 31.972 2 76atom 16 S+ ">S+ SULFONIUM" 16 31.972 2 77atom 17 S ">S=O SULFOXIDE" 16 31.972 3 78atom 18 S ">SO2 SULFONE" 16 31.972 4 79atom 19 Si "SILANE" 14 27.977 4 80atom 20 Lp "LONE PAIR" 0 0.000 1 81atom 21 H "-OH ALCOHOL" 1 1.008 1 82atom 22 C "CYCLOPROPANE" 6 12.000 4 83atom 23 H "NH AMINE" 1 1.008 1 84atom 24 H "COOH CARBOXYL" 1 1.008 1 85atom 25 P ">P- PHOSPHINE" 15 30.994 3 86atom 26 B ">B- TRIGONAL" 5 11.009 3 87atom 27 B ">B< TETRAHEDRAL" 5 11.009 4 88atom 28 H "-H AMIDE, ENOL" 1 1.008 1 89atom 29 C* "CARBON RADICAL" 6 12.000 3 90atom 30 C+ "CARBONIUM ION" 6 12.000 3 91atom 31 Ge "GERMANIUM" 32 73.922 2 92atom 32 Sn "TIN" 50 117.902 2 93atom 33 Pb "LEAD (IV)" 82 207.977 4 94atom 34 Se "SELENIUM" 34 79.917 2 95atom 35 Te "TELLURIUM" 52 129.907 2 96atom 36 D "DEUTERIUM" 1 2.014 1 97atom 37 N "-N= AZO,PYRIDINE" 7 14.003 3 98atom 38 C "CSP2 CYCLOPROPENE" 6 12.000 3 99atom 39 N+ "NSP3 AMMONIUM" 7 14.003 4 100atom 40 N "NSP2 PYRROLE" 7 14.003 3 101atom 41 O "OSP2 FURAN" 8 15.995 3 102atom 42 S "SSP2 THIOPHENE" 16 31.972 2 103atom 43 N "-N=N-O AZOXY" 7 14.003 2 104atom 44 H "-SH THIOL" 1 1.008 1 105atom 45 N "AZIDE (CENTER-N)" 7 14.003 2 106atom 46 N "NO2 NITRO" 7 14.003 3 107atom 47 O "CARBOXYLATE" 8 15.995 1 108atom 48 H "AMMONIUM" 1 1.008 1 109atom 49 O "EPOXY" 8 15.995 4 110atom 50 C "BENZENE" 6 12.000 3 111atom 51 He "HELIUM" 2 4.003 0 112atom 52 Ne "NEON" 10 20.179 0 113atom 53 Ar "ARGON" 18 39.948 0 114atom 54 Kr "KRYPTON" 36 83.800 0 115atom 55 Xe "XENON" 54 131.300 0 116atom 59 Mg "MAGNESIUM" 12 24.301 0 117atom 60 P "PHOSPHORUS (V)" 15 30.994 4 118atom 61 Fe "IRON (II)" 26 55.847 0 119atom 62 Fe "IRON (III)" 26 55.847 0 120atom 63 Ni "NICKEL (II)" 27 58.710 0 121atom 64 Ni "NICKEL (III)" 27 58.710 0 122atom 65 Co "COBALT (II)" 28 58.933 0 123atom 66 Co "COBALT (III)" 28 58.933 0 124atom 69 O "AMINE OXIDE" 8 15.995 1 125atom 70 O "KETONIUM OXYGEN" 8 15.995 1 126atom 71 C "KETONIUM CARBON" 6 12.000 2 127atom 72 N "=N- IMINE, OXIME" 7 14.003 3 128atom 73 N+ "=N(+)- PYRIDINIUM" 7 14.003 3 129atom 74 N+ "=N(+)- IMMINIUM" 7 14.003 3 130atom 75 N "N-OH OXIME" 7 14.003 3 131 132 133 ################################ 134 ## ## 135 ## Van der Waals Parameters ## 136 ## ## 137 ################################ 138 139 140vdw 1 1.900 0.044 141vdw 2 1.940 0.044 142vdw 3 1.940 0.044 143vdw 4 1.940 0.044 144vdw 5 1.500 0.047 0.915 145vdw 6 1.740 0.050 146vdw 7 1.740 0.066 147vdw 8 1.820 0.055 148vdw 9 1.820 0.055 149vdw 10 1.820 0.055 150vdw 11 1.650 0.078 151vdw 12 2.030 0.240 152vdw 13 2.180 0.320 153vdw 14 2.320 0.424 154vdw 15 2.110 0.202 155vdw 16 2.110 0.202 156vdw 17 2.110 0.202 157vdw 18 2.110 0.202 158vdw 19 2.250 0.140 159vdw 20 1.200 0.016 160vdw 21 0.950 0.036 161vdw 22 1.900 0.044 162vdw 23 1.050 0.034 163vdw 24 0.900 0.015 164vdw 25 2.180 0.168 165vdw 26 1.980 0.034 166vdw 27 1.980 0.034 167vdw 28 0.900 0.015 168vdw 29 1.940 0.044 169vdw 30 1.940 0.044 170vdw 31 2.400 0.200 171vdw 32 2.550 0.270 172vdw 33 2.700 0.340 173vdw 34 2.250 0.276 174vdw 35 2.400 0.368 175vdw 36 1.497 0.047 0.915 176vdw 37 1.820 0.055 177vdw 38 1.940 0.044 178vdw 39 1.820 0.055 179vdw 40 1.820 0.055 180vdw 41 1.740 0.050 181vdw 42 2.110 0.202 182vdw 43 1.820 0.055 183vdw 44 0.000 0.000 184vdw 45 1.820 0.055 185vdw 46 1.820 0.055 186vdw 47 1.740 0.050 187vdw 48 0.900 0.015 188vdw 49 1.740 0.050 189vdw 50 1.940 0.044 190vdw 51 1.530 0.026 191vdw 52 1.600 0.090 192vdw 53 1.990 0.268 193vdw 54 2.150 0.358 194vdw 55 2.280 0.495 195vdw 59 2.200 0.015 196vdw 60 2.200 0.168 197vdw 61 2.200 0.020 198vdw 62 2.200 0.020 199vdw 63 2.200 0.020 200vdw 64 2.200 0.020 201vdw 65 2.200 0.020 202vdw 66 2.200 0.020 203vdw 69 1.820 0.059 204vdw 70 1.740 0.066 205vdw 71 1.940 0.056 206vdw 72 1.820 0.055 207vdw 73 1.820 0.055 208vdw 74 1.820 0.055 209vdw 75 1.820 0.055 210 211 212 ##################################### 213 ## ## 214 ## Van der Waals Pair Parameters ## 215 ## ## 216 ##################################### 217 218 219vdwpr 1 5 3.340 0.046 220vdwpr 1 36 3.337 0.046 221vdwpr 2 21 2.340 1.100 222vdwpr 2 23 2.340 0.400 223vdwpr 2 24 2.340 1.000 224vdwpr 2 28 2.340 1.000 225vdwpr 6 21 1.830 1.300 226vdwpr 6 23 1.830 0.600 227vdwpr 6 24 2.140 2.200 228vdwpr 6 28 2.140 2.400 229vdwpr 7 21 2.140 2.950 230vdwpr 7 23 2.140 0.400 231vdwpr 7 24 2.030 3.000 232vdwpr 7 28 2.030 3.000 233vdwpr 8 21 2.220 2.000 234vdwpr 8 23 2.220 0.400 235vdwpr 8 24 2.220 1.400 236vdwpr 8 28 2.220 1.000 237vdwpr 11 21 2.050 0.800 238vdwpr 11 23 2.050 0.200 239vdwpr 11 24 2.050 0.600 240vdwpr 11 28 2.050 0.400 241vdwpr 12 21 2.430 3.600 242vdwpr 12 23 2.430 0.200 243vdwpr 12 24 2.430 0.600 244vdwpr 12 28 2.430 0.400 245vdwpr 13 21 2.580 0.800 246vdwpr 13 23 2.580 0.200 247vdwpr 13 24 2.580 0.600 248vdwpr 13 28 2.580 0.400 249vdwpr 14 21 2.720 0.600 250vdwpr 14 23 2.720 0.400 251vdwpr 14 24 2.720 0.400 252vdwpr 14 28 2.720 0.200 253vdwpr 15 21 2.510 0.400 254vdwpr 15 23 2.510 0.200 255vdwpr 15 24 2.510 0.400 256vdwpr 15 28 2.510 0.200 257 258 259 ################################## 260 ## ## 261 ## Bond Stretching Parameters ## 262 ## ## 263 ################################## 264 265 266bond 1 1 4.400 1.523 267bond 1 2 4.400 1.497 268bond 1 3 4.400 1.509 269bond 1 4 5.200 1.470 270bond 1 5 4.600 1.113 271bond 1 6 5.360 1.402 272bond 1 8 5.100 1.438 273bond 1 9 3.520 1.437 274bond 1 11 5.100 1.392 275bond 1 12 3.230 1.795 276bond 1 13 2.300 1.949 277bond 1 14 2.200 2.149 278bond 1 15 3.213 1.815 279bond 1 16 3.213 1.816 280bond 1 17 3.213 1.805 281bond 1 18 3.213 1.784 282bond 1 19 2.970 1.880 283bond 1 22 4.400 1.502 284bond 1 25 2.910 1.856 285bond 1 29 4.400 1.497 286bond 1 31 2.700 1.950 287bond 1 32 2.124 2.147 288bond 1 33 1.900 2.242 289bond 1 34 2.680 1.948 290bond 1 35 2.700 2.140 291bond 1 36 4.600 1.108 292bond 1 37 3.950 1.470 293bond 1 38 4.400 1.497 294bond 1 39 5.100 1.499 295bond 1 41 5.360 1.414 296bond 1 43 3.950 1.488 297bond 1 46 7.000 1.498 298bond 1 50 4.400 1.497 299bond 1 70 3.000 1.480 300bond 1 71 4.400 1.509 301bond 1 72 3.950 1.470 302bond 2 2 9.600 1.337 303bond 2 3 9.600 1.351 304bond 2 4 9.900 1.313 305bond 2 5 4.600 1.101 306bond 2 6 6.000 1.355 307bond 2 8 6.320 1.377 308bond 2 9 5.000 1.410 309bond 2 11 5.400 1.320 310bond 2 12 3.400 1.719 311bond 2 13 2.500 1.881 312bond 2 14 2.480 2.075 313bond 2 19 3.500 1.865 314bond 2 22 4.400 1.467 315bond 2 25 2.910 1.828 316bond 2 37 11.090 1.260 317bond 2 38 9.600 1.336 318bond 2 40 11.090 1.266 319bond 2 41 10.000 1.225 320bond 2 42 6.471 1.459 321bond 2 46 5.050 1.463 322bond 2 72 11.090 1.260 323bond 3 3 9.600 1.415 324bond 3 5 4.600 1.113 325bond 3 6 5.050 1.338 326bond 3 7 10.800 1.208 327bond 3 9 6.400 1.385 328bond 3 22 4.400 1.447 329bond 3 36 4.600 1.130 330bond 3 72 11.090 1.280 331bond 4 4 15.600 1.212 332bond 4 5 5.900 1.090 333bond 4 10 17.730 1.158 334bond 5 15 3.800 1.345 335bond 5 16 3.800 1.346 336bond 5 17 3.800 1.346 337bond 5 18 3.800 1.346 338bond 5 19 2.720 1.489 339bond 5 22 4.600 1.086 340bond 5 25 3.330 1.437 341bond 5 29 4.600 1.101 342bond 5 31 2.570 1.530 343bond 5 32 2.229 1.696 344bond 5 33 1.894 1.775 345bond 5 34 3.170 1.472 346bond 5 35 2.850 1.670 347bond 5 38 4.600 1.072 348bond 5 71 4.600 1.113 349bond 6 6 3.950 1.428 350bond 6 19 5.500 1.626 351bond 6 20 4.600 0.600 352bond 6 21 4.600 0.942 353bond 6 24 7.200 0.972 354bond 6 25 2.900 1.615 355bond 6 28 7.200 0.972 356bond 7 17 5.000 1.480 357bond 7 18 8.412 1.450 358bond 7 43 10.800 1.268 359bond 7 46 7.500 1.220 360bond 8 8 5.600 1.381 361bond 8 20 6.100 0.600 362bond 8 23 6.100 1.020 363bond 9 18 6.100 1.660 364bond 9 28 5.900 1.022 365bond 15 15 3.100 2.024 366bond 19 19 1.850 2.332 367bond 19 22 3.500 1.860 368bond 20 37 6.100 0.600 369bond 20 41 4.600 0.600 370bond 20 72 6.100 0.600 371bond 22 22 4.400 1.474 372bond 22 38 4.400 1.488 373bond 22 46 4.350 1.477 374bond 23 37 5.240 1.022 375bond 23 40 6.100 1.050 376bond 23 72 5.240 1.022 377bond 28 41 7.200 0.972 378bond 33 33 0.980 2.891 379bond 37 37 10.720 1.248 380bond 37 40 11.000 1.230 381bond 37 43 10.720 1.257 382bond 38 38 9.600 1.303 383bond 39 48 6.100 1.045 384bond 50 50 8.065 1.392 385bond 70 71 10.000 1.236 386 387 388 ########################################### 389 ## ## 390 ## Bond Stretching Parameters (4-Ring) ## 391 ## ## 392 ########################################### 393 394 395bond4 22 22 4.400 1.528 396 397 398 ########################################### 399 ## ## 400 ## Bond Stretching Parameters (3-Ring) ## 401 ## ## 402 ########################################### 403 404 405bond3 22 22 4.400 1.503 406bond3 22 49 5.360 1.435 407 408 409 ################################ 410 ## ## 411 ## Angle Bending Parameters ## 412 ## ## 413 ################################ 414 415 416angle 1 1 1 0.450 109.470 109.510 109.500 417angle 1 1 2 0.450 109.470 109.510 109.500 418angle 1 1 3 0.450 107.800 109.900 110.000 419angle 1 1 4 0.450 109.470 112.400 109.000 420angle 1 1 5 0.360 109.390 109.410 110.000 421angle 1 1 6 0.700 107.500 107.700 107.400 422angle 1 1 8 0.570 109.470 108.800 109.500 423angle 1 1 9 0.500 109.280 110.780 109.280 424angle 1 1 11 0.650 109.500 107.500 109.500 425angle 1 1 12 0.560 108.200 0.000 0.000 426angle 1 1 13 0.630 108.200 0.000 0.000 427angle 1 1 14 0.490 108.900 0.000 0.000 428angle 1 1 15 0.550 109.000 107.000 106.500 429angle 1 1 16 0.420 107.800 0.000 0.000 430angle 1 1 17 0.420 106.000 0.000 0.000 431angle 1 1 18 0.420 102.000 0.000 0.000 432angle 1 1 19 0.400 109.000 110.900 112.700 433angle 1 1 22 0.450 112.400 112.400 112.400 434angle 1 1 25 0.480 111.500 0.000 0.000 435angle 1 1 29 0.450 110.000 0.000 0.000 436angle 1 1 31 0.640 110.500 0.000 0.000 437angle 1 1 32 0.560 110.200 0.000 0.000 438angle 1 1 33 0.300 110.200 0.000 0.000 439angle 1 1 34 0.500 108.200 0.000 0.000 440angle 1 1 35 0.450 108.200 0.000 0.000 441angle 1 1 36 0.360 109.390 109.410 110.000 442angle 1 1 37 0.380 110.740 0.000 0.000 443angle 1 1 39 0.570 103.500 102.700 103.900 444angle 1 1 41 0.700 107.500 0.000 0.000 445angle 1 1 43 0.380 104.640 0.000 0.000 446angle 1 1 46 0.600 106.000 106.800 106.800 447angle 1 1 50 0.450 109.470 109.510 109.500 448angle 1 1 70 0.700 104.000 0.000 0.000 449angle 1 1 71 0.450 107.800 109.900 110.000 450angle 2 1 2 0.450 109.470 109.510 109.500 451angle 2 1 3 0.470 109.470 110.510 110.200 452angle 2 1 4 0.470 109.470 110.510 110.200 453angle 2 1 5 0.360 109.390 109.410 110.000 454angle 2 1 6 0.700 109.500 0.000 0.000 455angle 2 1 8 1.045 110.740 0.000 0.000 456angle 2 1 9 0.500 109.800 0.000 0.000 457angle 2 1 11 0.650 109.000 0.000 0.000 458angle 2 1 12 0.560 109.500 0.000 0.000 459angle 2 1 15 0.420 107.800 107.800 109.500 460angle 2 1 16 0.420 107.800 0.000 0.000 461angle 2 1 19 0.500 109.500 110.500 113.000 462angle 2 1 22 0.450 112.400 0.000 0.000 463angle 2 1 36 0.360 109.390 109.410 110.000 464angle 2 1 37 0.380 110.510 0.000 0.000 465angle 2 1 39 1.045 110.740 0.000 0.000 466angle 2 1 43 0.380 110.510 0.000 0.000 467angle 3 1 3 0.470 109.470 110.510 110.200 468angle 3 1 5 0.370 107.900 108.800 109.470 469angle 3 1 6 0.700 109.500 0.000 0.000 470angle 3 1 8 1.045 110.740 0.000 0.000 471angle 3 1 9 0.820 109.800 111.100 109.800 472angle 3 1 11 0.650 109.200 0.000 0.000 473angle 3 1 12 0.560 109.800 0.000 0.000 474angle 3 1 13 0.630 109.100 0.000 0.000 475angle 3 1 14 0.490 108.900 0.000 0.000 476angle 3 1 15 0.420 107.800 0.000 0.000 477angle 3 1 16 0.420 107.800 0.000 0.000 478angle 3 1 36 0.370 108.800 108.800 109.470 479angle 4 1 4 0.470 109.470 110.510 110.200 480angle 4 1 5 0.360 109.390 109.410 110.000 481angle 5 1 5 0.320 109.400 109.000 109.470 482angle 5 1 6 0.540 106.700 106.700 106.700 483angle 5 1 8 0.500 108.800 0.000 0.000 484angle 5 1 9 0.420 109.000 0.000 0.000 485angle 5 1 11 0.490 110.500 0.000 0.000 486angle 5 1 12 0.530 106.900 0.000 0.000 487angle 5 1 13 0.440 106.500 0.000 0.000 488angle 5 1 14 0.540 106.400 0.000 0.000 489angle 5 1 15 0.360 112.000 112.000 109.300 490angle 5 1 16 0.300 108.200 0.000 0.000 491angle 5 1 17 0.384 108.600 0.000 0.000 492angle 5 1 18 0.384 108.600 0.000 0.000 493angle 5 1 19 0.320 108.600 110.800 107.000 494angle 5 1 22 0.360 109.410 109.410 109.410 495angle 5 1 25 0.360 111.000 0.000 0.000 496angle 5 1 29 0.360 110.000 0.000 0.000 497angle 5 1 31 0.449 110.400 0.000 0.000 498angle 5 1 32 0.350 112.000 0.000 0.000 499angle 5 1 33 0.100 109.500 0.000 0.000 500angle 5 1 34 0.330 110.500 0.000 0.000 501angle 5 1 35 0.300 110.500 0.000 0.000 502angle 5 1 36 0.320 109.400 109.000 109.470 503angle 5 1 37 0.480 107.500 0.000 0.000 504angle 5 1 39 0.500 108.800 0.000 0.000 505angle 5 1 41 0.540 106.700 0.000 0.000 506angle 5 1 43 0.480 107.500 0.000 0.000 507angle 5 1 46 0.480 109.000 0.000 0.000 508angle 5 1 50 0.360 109.390 109.410 110.000 509angle 5 1 70 0.350 102.800 0.000 0.000 510angle 5 1 71 0.370 107.900 108.800 109.500 511angle 5 1 72 0.480 107.500 0.000 0.000 512angle 6 1 6 0.460 99.900 97.000 102.200 513angle 6 1 12 0.560 108.500 0.000 0.000 514angle 6 1 71 0.700 103.000 0.000 0.000 515angle 8 1 8 1.045 110.740 0.000 0.000 516angle 8 1 39 1.045 110.740 0.000 0.000 517angle 9 1 15 0.580 107.000 108.000 114.800 518angle 9 1 36 0.420 109.000 0.000 0.000 519angle 11 1 11 1.070 107.100 0.000 0.000 520angle 11 1 12 1.075 110.400 0.000 0.000 521angle 11 1 13 1.024 109.400 0.000 0.000 522angle 12 1 12 1.080 111.700 0.000 0.000 523angle 12 1 13 1.030 110.700 0.000 0.000 524angle 13 1 13 0.980 109.700 0.000 0.000 525angle 15 1 15 0.420 116.200 0.000 0.000 526angle 19 1 19 0.400 115.500 0.000 0.000 527angle 22 1 22 0.450 112.000 0.000 105.000 528angle 22 1 37 0.380 110.200 0.000 0.000 529angle 22 1 43 0.380 110.200 0.000 0.000 530angle 36 1 36 0.320 109.400 109.000 109.470 531angle 36 1 50 0.360 109.390 109.410 110.000 532angle 50 1 50 0.450 109.470 109.510 109.500 533angle 1 2 1 0.450 117.200 0.000 0.000 534angle 1 2 2 0.550 121.400 122.000 0.000 535angle 1 2 3 0.380 121.000 0.000 0.000 536angle 1 2 4 0.470 122.000 0.000 0.000 537angle 1 2 5 0.360 118.200 0.000 0.000 538angle 1 2 6 0.500 120.000 0.000 0.000 539angle 1 2 19 0.400 120.000 0.000 0.000 540angle 1 2 37 0.550 115.100 125.300 0.000 541angle 2 2 2 0.430 120.000 0.000 0.000 542angle 2 2 3 0.600 114.600 117.600 0.000 543angle 2 2 5 0.360 120.000 120.500 0.000 544angle 2 2 6 0.700 124.300 0.000 0.000 545angle 2 2 8 0.616 123.000 124.000 0.000 546angle 2 2 9 0.500 118.000 0.000 0.000 547angle 2 2 11 0.650 121.000 0.000 0.000 548angle 2 2 12 0.550 118.800 0.000 0.000 549angle 2 2 13 0.450 118.100 0.000 0.000 550angle 2 2 14 0.410 118.800 0.000 0.000 551angle 2 2 19 0.400 122.500 120.500 0.000 552angle 2 2 22 0.550 121.000 0.000 0.000 553angle 2 2 25 0.380 120.000 0.000 0.000 554angle 2 2 37 0.430 120.000 123.500 0.000 555angle 2 2 40 0.430 120.000 119.000 0.000 556angle 2 2 41 0.600 120.000 118.100 0.000 557angle 2 2 42 0.380 119.000 0.000 0.000 558angle 2 2 46 0.600 113.500 0.000 0.000 559angle 2 2 72 0.430 120.000 123.500 0.000 560angle 3 2 5 0.240 120.000 0.000 0.000 561angle 4 2 5 0.360 121.100 121.600 0.000 562angle 5 2 5 0.320 119.000 0.000 0.000 563angle 5 2 6 0.540 116.400 0.000 0.000 564angle 5 2 8 0.540 119.000 0.000 0.000 565angle 5 2 9 0.300 109.000 0.000 0.000 566angle 5 2 11 0.450 120.000 0.000 0.000 567angle 5 2 12 0.450 112.600 0.000 0.000 568angle 5 2 13 0.460 112.100 0.000 0.000 569angle 5 2 14 0.450 112.600 0.000 0.000 570angle 5 2 19 0.240 118.400 0.000 0.000 571angle 5 2 22 0.360 118.200 0.000 0.000 572angle 5 2 37 0.360 116.500 120.500 0.000 573angle 5 2 38 0.360 120.000 0.000 0.000 574angle 5 2 40 0.400 113.500 0.000 0.000 575angle 5 2 41 0.450 108.000 0.000 0.000 576angle 5 2 42 0.400 120.000 0.000 0.000 577angle 5 2 46 0.260 119.000 0.000 0.000 578angle 5 2 72 0.360 116.500 120.500 0.000 579angle 9 2 9 0.400 120.000 0.000 0.000 580angle 12 2 41 0.500 105.000 0.000 0.000 581angle 13 2 41 0.500 104.000 0.000 0.000 582angle 14 2 41 0.500 107.000 0.000 0.000 583angle 19 2 19 0.400 120.000 0.000 0.000 584angle 37 2 37 0.400 120.000 127.000 0.000 585angle 37 2 40 0.400 126.000 126.000 0.000 586angle 1 3 1 0.400 116.600 0.000 0.000 587angle 1 3 2 0.400 115.000 0.000 0.000 588angle 1 3 3 0.600 114.000 0.000 0.000 589angle 1 3 5 0.370 116.400 0.000 0.000 590angle 1 3 6 0.650 107.100 0.000 0.000 591angle 1 3 7 0.460 122.500 0.000 0.000 592angle 1 3 9 0.660 116.500 0.000 0.000 593angle 1 3 72 0.550 116.800 0.000 0.000 594angle 2 3 2 0.600 112.000 0.000 0.000 595angle 2 3 3 0.480 120.000 0.000 0.000 596angle 2 3 5 0.400 113.500 0.000 0.000 597angle 2 3 6 0.700 124.300 0.000 0.000 598angle 2 3 7 0.460 123.000 0.000 0.000 599angle 2 3 9 99.000 120.000 0.000 0.000 600angle 2 3 72 0.690 120.400 0.000 0.000 601angle 3 3 5 0.400 112.000 0.000 0.000 602angle 3 3 7 0.430 119.000 0.000 0.000 603angle 3 3 36 0.400 112.500 0.000 0.000 604angle 5 3 5 0.360 118.200 0.000 0.000 605angle 5 3 6 0.650 105.900 0.000 0.000 606angle 5 3 7 0.370 120.300 0.000 0.000 607angle 5 3 9 0.300 109.000 0.000 0.000 608angle 5 3 72 0.660 119.500 0.000 0.000 609angle 6 3 7 0.800 122.000 0.000 0.000 610angle 7 3 9 0.670 124.300 0.000 0.000 611angle 7 3 22 0.460 122.500 0.000 0.000 612angle 7 3 36 0.370 120.000 0.000 0.000 613angle 9 3 9 0.500 120.000 0.000 0.000 614angle 1 4 4 0.200 180.000 0.000 0.000 615angle 1 4 10 0.325 180.000 0.000 0.000 616angle 2 4 2 0.400 180.000 0.000 0.000 617angle 2 4 4 0.470 180.000 0.000 0.000 618angle 4 4 5 0.360 180.000 0.000 0.000 619angle 1 6 1 0.770 106.800 0.000 0.000 620angle 1 6 2 0.770 110.800 0.000 0.000 621angle 1 6 3 0.600 109.900 0.000 0.000 622angle 1 6 6 0.635 98.700 0.000 0.000 623angle 1 6 19 0.400 114.600 0.000 0.000 624angle 1 6 20 0.350 105.160 0.000 0.000 625angle 1 6 21 0.350 106.900 0.000 0.000 626angle 1 6 25 0.770 116.000 0.000 0.000 627angle 2 6 20 0.350 103.260 0.000 0.000 628angle 2 6 25 0.800 118.000 0.000 0.000 629angle 2 6 28 0.350 108.000 0.000 0.000 630angle 3 6 20 0.350 105.160 0.000 0.000 631angle 3 6 24 0.300 106.100 0.000 0.000 632angle 6 6 20 0.350 103.260 0.000 0.000 633angle 6 6 21 0.511 98.440 0.000 0.000 634angle 19 6 19 0.150 145.700 0.000 0.000 635angle 19 6 20 0.350 97.500 0.000 0.000 636angle 20 6 20 0.240 131.000 0.000 0.000 637angle 20 6 21 0.240 101.010 0.000 0.000 638angle 20 6 24 0.240 101.000 0.000 0.000 639angle 20 6 25 0.350 105.000 0.000 0.000 640angle 20 6 28 0.240 101.100 0.000 0.000 641angle 21 6 21 0.400 104.500 0.000 0.000 642angle 21 6 21 0.630 105.000 0.000 0.000 643angle 1 8 1 0.630 107.700 0.000 0.000 644angle 1 8 2 0.698 107.000 0.000 0.000 645angle 1 8 8 0.740 105.500 0.000 0.000 646angle 1 8 20 0.500 109.200 0.000 0.000 647angle 1 8 23 0.500 109.470 0.000 0.000 648angle 2 8 20 0.350 87.000 0.000 0.000 649angle 2 8 23 0.527 109.500 0.000 0.000 650angle 8 8 20 0.350 109.000 0.000 0.000 651angle 8 8 23 0.430 103.200 0.000 0.000 652angle 20 8 20 0.587 106.820 0.000 0.000 653angle 20 8 23 0.500 108.000 0.000 0.000 654angle 23 8 23 0.500 104.500 0.000 0.000 655angle 1 9 1 0.760 126.000 0.000 0.000 656angle 1 9 2 0.630 119.900 0.000 0.000 657angle 1 9 3 0.760 119.900 0.000 0.000 658angle 1 9 18 0.300 110.000 0.000 0.000 659angle 1 9 28 0.440 124.000 0.000 0.000 660angle 2 9 2 0.400 107.000 0.000 0.000 661angle 2 9 3 0.600 115.000 0.000 0.000 662angle 2 9 28 0.500 110.000 0.000 0.000 663angle 3 9 3 0.500 125.000 0.000 0.000 664angle 3 9 28 0.420 119.000 0.000 0.000 665angle 18 9 28 0.300 122.000 0.000 0.000 666angle 28 9 28 0.320 123.000 0.000 0.000 667angle 1 15 1 0.720 96.300 0.000 0.000 668angle 1 15 5 0.480 96.000 0.000 0.000 669angle 1 15 15 1.168 102.900 0.000 0.000 670angle 5 15 15 0.400 91.200 0.000 0.000 671angle 1 16 1 0.500 94.300 0.000 0.000 672angle 1 16 5 0.400 94.000 0.000 0.000 673angle 1 17 1 0.720 93.000 0.000 0.000 674angle 1 17 7 0.597 106.000 0.000 0.000 675angle 1 18 1 0.720 102.000 0.000 0.000 676angle 1 18 7 0.597 107.700 0.000 0.000 677angle 1 18 9 0.800 103.000 0.000 0.000 678angle 5 18 7 0.560 101.500 0.000 0.000 679angle 5 18 9 0.600 98.000 0.000 0.000 680angle 7 18 7 0.900 116.600 0.000 0.000 681angle 7 18 9 1.700 108.000 0.000 0.000 682angle 1 19 1 0.480 110.800 110.400 108.500 683angle 1 19 2 0.400 110.200 0.000 0.000 684angle 1 19 5 0.460 109.300 107.000 110.200 685angle 1 19 6 0.350 108.500 0.000 0.000 686angle 1 19 19 0.750 110.000 0.000 0.000 687angle 2 19 2 0.600 109.500 0.000 0.000 688angle 2 19 5 0.240 109.500 0.000 0.000 689angle 2 19 19 0.400 110.200 0.000 0.000 690angle 5 19 5 0.380 104.500 108.700 109.500 691angle 5 19 6 0.350 109.500 0.000 0.000 692angle 5 19 19 0.378 111.000 111.000 111.000 693angle 5 19 22 0.460 110.200 0.000 0.000 694angle 6 19 6 0.450 113.500 0.000 0.000 695angle 19 19 19 0.350 111.300 110.800 110.000 696angle 1 22 1 0.450 120.000 0.000 0.000 697angle 1 22 5 0.360 123.500 0.000 0.000 698angle 1 22 22 0.600 118.200 118.200 0.000 699angle 1 22 49 0.560 115.000 0.000 0.000 700angle 2 22 2 0.450 120.000 0.000 0.000 701angle 2 22 5 0.360 123.500 0.000 0.000 702angle 2 22 22 0.600 118.200 0.000 0.000 703angle 2 22 49 0.560 115.000 0.000 0.000 704angle 3 22 5 0.360 123.500 123.500 123.500 705angle 5 22 5 0.320 120.600 0.000 0.000 706angle 5 22 19 0.240 123.500 0.000 0.000 707angle 5 22 22 0.360 124.500 119.700 0.000 708angle 5 22 38 0.360 124.500 119.700 0.000 709angle 5 22 46 0.050 114.000 0.000 0.000 710angle 5 22 49 0.430 113.000 0.000 0.000 711angle 19 22 22 0.530 117.500 0.000 0.000 712angle 22 22 22 0.350 119.140 120.700 0.000 713angle 22 22 46 0.700 117.000 117.000 117.000 714angle 1 25 1 0.576 96.000 0.000 0.000 715angle 1 25 2 0.480 92.500 0.000 0.000 716angle 1 25 5 0.480 95.000 0.000 0.000 717angle 2 25 2 0.480 93.200 0.000 0.000 718angle 5 25 5 0.438 93.400 0.000 0.000 719angle 6 25 6 0.450 99.500 0.000 0.000 720angle 1 29 1 0.450 120.000 0.000 0.000 721angle 1 29 5 0.360 120.000 0.000 0.000 722angle 5 29 5 0.320 120.000 0.000 0.000 723angle 1 31 1 0.490 110.000 0.000 0.000 724angle 1 31 5 0.352 109.500 0.000 0.000 725angle 5 31 5 0.216 109.000 0.000 0.000 726angle 1 32 1 0.320 107.000 0.000 0.000 727angle 1 32 5 0.227 110.500 0.000 0.000 728angle 5 32 5 0.132 109.500 0.000 0.000 729angle 1 33 1 0.100 109.500 0.000 0.000 730angle 1 33 5 0.100 109.500 0.000 0.000 731angle 1 33 33 0.100 109.500 0.000 0.000 732angle 5 33 5 0.100 109.500 0.000 0.000 733angle 1 34 1 0.500 94.800 0.000 0.000 734angle 1 34 5 0.430 94.500 0.000 0.000 735angle 1 35 1 0.590 95.050 0.000 0.000 736angle 1 35 5 0.390 94.600 0.000 0.000 737angle 1 37 2 0.550 108.000 0.000 0.000 738angle 1 37 20 0.350 120.000 0.000 0.000 739angle 1 37 37 0.690 106.500 0.000 0.000 740angle 1 37 43 0.570 99.100 0.000 0.000 741angle 2 37 2 0.430 115.000 0.000 0.000 742angle 2 37 20 0.500 122.500 0.000 0.000 743angle 2 37 23 0.500 110.000 0.000 0.000 744angle 2 37 37 0.400 107.500 0.000 0.000 745angle 2 37 40 0.430 115.000 0.000 0.000 746angle 20 37 23 0.500 127.500 0.000 0.000 747angle 20 37 37 0.350 120.000 0.000 0.000 748angle 20 37 40 0.500 122.500 0.000 0.000 749angle 20 37 43 0.350 120.000 0.000 0.000 750angle 23 37 37 0.400 103.500 0.000 0.000 751angle 1 38 22 0.450 117.200 0.000 0.000 752angle 2 38 22 0.550 137.000 0.000 0.000 753angle 5 38 22 0.360 146.000 0.000 0.000 754angle 5 38 38 0.360 146.000 0.000 0.000 755angle 1 39 1 0.630 108.600 111.200 115.400 756angle 1 39 48 0.500 109.470 0.000 0.000 757angle 48 39 48 0.500 104.500 0.000 0.000 758angle 2 40 2 0.430 124.000 124.000 0.000 759angle 2 40 23 0.360 118.000 0.000 0.000 760angle 2 40 37 0.430 124.000 124.000 0.000 761angle 23 40 37 0.360 113.000 0.000 0.000 762angle 1 41 2 0.770 113.600 0.000 0.000 763angle 1 41 20 0.350 124.200 0.000 0.000 764angle 2 41 2 0.870 113.950 0.000 0.000 765angle 2 41 20 0.350 122.200 0.000 0.000 766angle 2 41 28 0.360 109.000 0.000 0.000 767angle 20 41 28 0.360 128.800 0.000 0.000 768angle 2 42 2 0.680 98.500 0.000 0.000 769angle 1 43 7 0.570 120.400 0.000 0.000 770angle 1 43 37 0.380 114.000 0.000 0.000 771angle 7 43 37 0.380 125.000 0.000 0.000 772angle 1 46 7 0.594 115.830 0.000 0.000 773angle 2 46 7 0.800 115.000 0.000 0.000 774angle 7 46 7 0.600 128.600 0.000 0.000 775angle 7 46 22 0.594 111.000 0.000 0.000 776angle 20 49 20 0.240 131.000 0.000 0.000 777angle 20 49 22 0.350 103.000 0.000 0.000 778angle 1 50 1 0.450 117.200 0.000 0.000 779angle 1 50 5 0.360 118.200 0.000 0.000 780angle 1 50 50 0.550 121.400 122.000 120.000 781angle 5 50 5 0.320 119.000 0.000 0.000 782angle 5 50 50 0.360 120.000 120.500 0.000 783angle 50 50 50 0.430 120.000 0.000 0.000 784angle 1 70 71 0.800 116.000 0.000 0.000 785angle 1 71 1 0.400 116.600 0.000 0.000 786angle 1 71 5 0.370 116.400 0.000 0.000 787angle 1 71 70 0.520 113.000 116.500 0.000 788angle 5 71 5 0.440 122.400 0.000 0.000 789angle 5 71 70 0.360 111.000 117.000 0.000 790angle 1 72 3 0.550 111.000 0.000 0.000 791angle 1 72 20 0.350 120.000 0.000 0.000 792angle 2 72 3 0.570 115.000 0.000 0.000 793angle 2 72 20 0.500 122.500 0.000 0.000 794angle 3 72 20 0.550 112.500 0.000 0.000 795angle 3 72 23 0.550 110.000 0.000 0.000 796angle 20 72 23 0.500 127.500 0.000 0.000 797 798 799 ######################################### 800 ## ## 801 ## Angle Bending Parameters (4-Ring) ## 802 ## ## 803 ######################################### 804 805 806angle4 1 1 1 0.340 109.470 0.000 109.500 807angle4 1 1 1 0.290 0.000 109.510 0.000 808angle4 1 1 2 0.360 109.470 109.510 109.500 809angle4 1 1 3 0.340 107.800 109.900 111.000 810angle4 1 1 6 0.530 107.400 0.000 0.000 811angle4 1 1 8 0.320 108.800 0.000 0.000 812angle4 1 1 9 0.550 106.500 0.000 0.000 813angle4 1 1 15 0.500 106.500 106.500 105.800 814angle4 1 1 19 0.300 94.500 0.000 94.500 815angle4 1 1 22 0.340 0.000 112.300 112.300 816angle4 1 1 31 0.640 92.000 0.000 0.000 817angle4 1 1 37 0.350 110.740 0.000 0.000 818angle4 1 1 39 0.450 108.800 0.000 0.000 819angle4 1 1 43 0.350 110.740 0.000 0.000 820angle4 2 1 2 0.340 109.470 109.510 109.500 821angle4 1 2 1 0.220 117.200 0.000 0.000 822angle4 1 2 2 0.340 121.400 122.000 120.000 823angle4 2 2 2 0.340 120.000 0.000 0.000 824angle4 1 3 1 0.300 116.600 0.000 0.000 825angle4 1 3 6 0.480 106.500 0.000 0.000 826angle4 1 3 9 0.660 113.000 0.000 0.000 827angle4 1 3 11 0.490 88.000 0.000 0.000 828angle4 22 3 22 0.300 116.600 0.000 0.000 829angle4 1 6 1 0.580 106.800 0.000 0.000 830angle4 1 6 3 0.450 109.900 0.000 0.000 831angle4 1 8 1 0.470 107.700 0.000 0.000 832angle4 1 9 3 0.600 119.800 0.000 0.000 833angle4 1 15 1 0.650 96.500 0.000 0.000 834angle4 1 19 1 0.450 90.500 0.000 90.500 835angle4 1 22 22 0.340 0.000 119.300 0.000 836angle4 3 22 22 0.340 119.300 119.300 119.300 837angle4 22 22 22 0.450 112.500 98.000 0.000 838angle4 1 31 1 0.490 88.000 0.000 0.000 839angle4 1 37 37 0.620 106.500 0.000 0.000 840angle4 1 37 43 0.480 99.100 0.000 0.000 841angle4 1 39 1 0.380 107.700 0.000 0.000 842angle4 1 43 37 0.350 114.000 0.000 0.000 843 844 845 ######################################### 846 ## ## 847 ## Angle Bending Parameters (3-Ring) ## 848 ## ## 849 ######################################### 850 851 852angle3 22 22 22 0.450 55.800 60.000 60.000 853angle3 22 22 38 0.450 48.000 0.000 0.000 854angle3 22 22 49 0.560 59.300 0.000 0.000 855angle3 38 22 38 0.450 53.000 0.000 0.000 856angle3 22 38 22 0.400 67.000 0.000 0.000 857angle3 22 38 38 0.550 80.000 0.000 0.000 858angle3 22 49 22 0.620 61.400 0.000 0.000 859 860 861 ############################### 862 ## ## 863 ## Stretch-Bend Parameters ## 864 ## ## 865 ############################### 866 867 868strbnd 1 0.120 0.090 0.000 869strbnd 2 0.120 0.090 0.000 870strbnd 3 0.120 0.090 0.000 871strbnd 4 0.120 0.090 0.000 872strbnd 6 0.120 0.090 0.000 873strbnd 8 0.120 0.090 0.000 874strbnd 9 0.120 0.090 0.000 875strbnd 15 0.250 -0.400 0.000 876strbnd 16 0.250 -0.400 0.000 877strbnd 17 0.250 -0.400 0.000 878strbnd 18 0.250 -0.400 0.000 879strbnd 19 0.200 0.060 0.000 880strbnd 22 0.120 0.090 0.000 881strbnd 25 0.200 0.060 0.000 882strbnd 26 0.120 0.090 0.000 883strbnd 27 0.120 0.090 0.000 884strbnd 29 0.120 0.090 0.000 885strbnd 30 0.120 0.090 0.000 886strbnd 34 0.450 0.000 0.000 887strbnd 37 0.120 0.090 0.000 888strbnd 38 0.120 0.090 0.000 889strbnd 39 0.120 0.090 0.000 890strbnd 40 0.120 0.090 0.000 891strbnd 41 0.120 0.090 0.000 892strbnd 42 0.250 -0.400 0.000 893strbnd 43 0.120 0.090 0.000 894strbnd 45 0.120 0.090 0.000 895strbnd 46 0.120 0.090 0.000 896strbnd 49 0.120 0.090 0.000 897strbnd 50 0.120 0.090 0.000 898strbnd 60 0.200 0.060 0.000 899strbnd 71 0.120 0.090 0.000 900strbnd 72 0.120 0.090 0.000 901 902 903 #################################### 904 ## ## 905 ## Out-of-Plane Bend Parameters ## 906 ## ## 907 #################################### 908 909 910opbend 2 1 0.050 911opbend 2 2 0.050 912opbend 2 3 0.050 913opbend 2 4 0.050 914opbend 2 5 0.050 915opbend 2 6 0.050 916opbend 2 7 0.050 917opbend 2 8 0.050 918opbend 2 9 0.050 919opbend 2 11 0.050 920opbend 2 12 0.050 921opbend 2 13 0.050 922opbend 2 14 0.050 923opbend 2 19 0.050 924opbend 2 22 0.050 925opbend 2 25 0.500 926opbend 2 37 0.050 927opbend 2 38 0.050 928opbend 2 40 0.050 929opbend 2 41 0.050 930opbend 2 42 0.050 931opbend 2 46 0.200 932opbend 2 72 0.050 933opbend 3 1 0.800 934opbend 3 2 0.800 935opbend 3 3 0.900 936opbend 3 4 0.800 937opbend 3 5 0.800 938opbend 3 6 0.800 939opbend 3 7 0.800 940opbend 3 8 0.800 941opbend 3 9 0.800 942opbend 3 22 0.800 943opbend 3 36 0.800 944opbend 3 72 0.050 945opbend 9 1 0.050 946opbend 9 2 0.050 947opbend 9 3 0.050 948opbend 9 4 0.050 949opbend 9 6 0.050 950opbend 9 7 0.050 951opbend 9 8 0.050 952opbend 9 9 0.050 953opbend 9 18 0.050 954opbend 9 28 0.010 955opbend 29 1 0.150 956opbend 29 5 0.150 957opbend 30 1 0.050 958opbend 30 5 0.050 959opbend 37 1 0.050 960opbend 37 1 0.050 961opbend 37 2 0.050 962opbend 37 20 0.050 963opbend 37 20 0.050 964opbend 37 23 0.050 965opbend 37 23 0.050 966opbend 37 37 0.050 967opbend 37 37 0.050 968opbend 37 40 0.050 969opbend 37 43 0.050 970opbend 38 2 0.050 971opbend 38 5 0.050 972opbend 38 22 0.050 973opbend 38 38 0.050 974opbend 40 2 0.050 975opbend 40 23 0.050 976opbend 40 37 0.050 977opbend 41 1 0.050 978opbend 41 2 0.050 979opbend 41 20 0.050 980opbend 41 28 0.050 981opbend 43 1 0.050 982opbend 43 7 0.050 983opbend 43 37 0.050 984opbend 46 1 0.200 985opbend 46 2 0.200 986opbend 46 7 0.200 987opbend 46 22 0.200 988opbend 50 1 0.050 989opbend 50 5 0.050 990opbend 50 50 0.050 991opbend 71 1 0.800 992opbend 71 5 0.800 993opbend 71 70 1.569 994opbend 72 1 0.050 995opbend 72 2 0.050 996opbend 72 3 0.050 997opbend 72 20 0.050 998opbend 72 23 0.050 999 1000 1001 ############################ 1002 ## ## 1003 ## Torsional Parameters ## 1004 ## ## 1005 ############################ 1006 1007 1008torsion 1 1 1 1 0.200 0.0 1 0.270 180.0 2 0.093 0.0 3 1009torsion 1 1 1 2 0.170 0.0 1 0.270 180.0 2 0.093 0.0 3 1010torsion 1 1 1 3 0.050 0.0 1 0.370 180.0 2 0.000 0.0 3 1011torsion 1 1 1 4 0.200 0.0 1 -0.260 180.0 2 0.093 0.0 3 1012torsion 1 1 1 5 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 1013torsion 1 1 1 6 0.100 0.0 1 0.100 180.0 2 0.180 0.0 3 1014torsion 1 1 1 8 0.100 0.0 1 0.400 180.0 2 0.500 0.0 3 1015torsion 1 1 1 9 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 1016torsion 1 1 1 11 0.000 0.0 1 -0.086 180.0 2 0.930 0.0 3 1017torsion 1 1 1 12 0.000 0.0 1 -0.250 180.0 2 0.550 0.0 3 1018torsion 1 1 1 13 0.000 0.0 1 -0.410 180.0 2 1.060 0.0 3 1019torsion 1 1 1 14 0.000 0.0 1 -0.500 180.0 2 0.267 0.0 3 1020torsion 1 1 1 15 0.140 0.0 1 0.000 180.0 2 0.000 0.0 3 1021torsion 1 1 1 16 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 1022torsion 1 1 1 17 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1023torsion 1 1 1 18 0.200 0.0 1 0.270 180.0 2 0.093 0.0 3 1024torsion 1 1 1 19 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 1025torsion 1 1 1 22 0.200 0.0 1 -0.200 180.0 2 0.600 0.0 3 1026torsion 1 1 1 25 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 1027torsion 1 1 1 29 0.170 0.0 1 0.270 180.0 2 0.093 0.0 3 1028torsion 1 1 1 31 0.000 0.0 1 0.000 180.0 2 -0.065 0.0 3 1029torsion 1 1 1 32 -0.083 0.0 1 -0.083 180.0 2 0.050 0.0 3 1030torsion 1 1 1 33 0.000 0.0 1 -0.008 180.0 2 0.110 0.0 3 1031torsion 1 1 1 34 0.140 0.0 1 0.000 180.0 2 0.100 0.0 3 1032torsion 1 1 1 35 0.000 0.0 1 0.200 180.0 2 0.400 0.0 3 1033torsion 1 1 1 36 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 1034torsion 1 1 1 37 0.000 0.0 1 0.000 180.0 2 0.100 0.0 3 1035torsion 1 1 1 39 0.100 0.0 1 0.400 180.0 2 0.500 0.0 3 1036torsion 1 1 1 43 0.000 0.0 1 0.000 180.0 2 0.100 0.0 3 1037torsion 1 1 1 46 0.000 0.0 1 0.000 180.0 2 0.800 0.0 3 1038torsion 1 1 1 50 0.170 0.0 1 0.270 180.0 2 0.093 0.0 3 1039torsion 1 1 1 70 0.129 0.0 1 -0.650 180.0 2 0.817 0.0 3 1040torsion 1 1 1 71 0.050 0.0 1 0.370 180.0 2 0.000 0.0 3 1041torsion 2 1 1 2 2.100 0.0 1 0.270 180.0 2 0.093 0.0 3 1042torsion 2 1 1 3 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 1043torsion 2 1 1 4 0.000 0.0 1 0.000 180.0 2 0.093 0.0 3 1044torsion 2 1 1 5 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 1045torsion 2 1 1 6 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 1046torsion 2 1 1 8 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 1047torsion 2 1 1 9 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1048torsion 2 1 1 15 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 1049torsion 2 1 1 16 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 1050torsion 2 1 1 19 0.000 0.0 1 0.000 180.0 2 0.167 0.0 3 1051torsion 2 1 1 36 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 1052torsion 2 1 1 39 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 1053torsion 3 1 1 3 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 1054torsion 3 1 1 5 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 1055torsion 3 1 1 6 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 1056torsion 3 1 1 8 0.000 0.0 1 0.400 180.0 2 0.500 0.0 3 1057torsion 3 1 1 9 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 1058torsion 3 1 1 11 -1.000 0.0 1 0.000 180.0 2 0.200 0.0 3 1059torsion 3 1 1 12 -0.585 0.0 1 0.000 180.0 2 0.200 0.0 3 1060torsion 3 1 1 13 -0.465 0.0 1 0.000 180.0 2 0.200 0.0 3 1061torsion 3 1 1 15 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 1062torsion 3 1 1 16 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 1063torsion 3 1 1 25 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 1064torsion 3 1 1 36 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 1065torsion 3 1 1 39 0.000 0.0 1 0.400 180.0 2 0.500 0.0 3 1066torsion 4 1 1 4 1.000 0.0 1 0.000 180.0 2 0.093 0.0 3 1067torsion 4 1 1 5 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 1068torsion 4 1 1 6 0.000 0.0 1 -0.400 180.0 2 0.180 0.0 3 1069torsion 5 1 1 5 0.000 0.0 1 0.000 180.0 2 0.237 0.0 3 1070torsion 5 1 1 6 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 1071torsion 5 1 1 8 -0.150 0.0 1 0.000 180.0 2 0.150 0.0 3 1072torsion 5 1 1 9 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 1073torsion 5 1 1 11 0.000 0.0 1 0.000 180.0 2 0.351 0.0 3 1074torsion 5 1 1 12 0.000 0.0 1 0.000 180.0 2 0.406 0.0 3 1075torsion 5 1 1 13 0.000 0.0 1 0.000 180.0 2 0.385 0.0 3 1076torsion 5 1 1 14 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 1077torsion 5 1 1 15 0.000 0.0 1 0.000 180.0 2 0.330 0.0 3 1078torsion 5 1 1 16 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 1079torsion 5 1 1 17 0.000 0.0 1 0.000 180.0 2 0.125 0.0 3 1080torsion 5 1 1 18 0.000 0.0 1 0.000 180.0 2 0.125 0.0 3 1081torsion 5 1 1 19 0.000 0.0 1 0.000 180.0 2 0.105 0.0 3 1082torsion 5 1 1 22 0.000 0.0 1 0.000 180.0 2 0.167 0.0 3 1083torsion 5 1 1 25 0.000 0.0 1 0.000 180.0 2 0.330 0.0 3 1084torsion 5 1 1 29 0.000 0.0 1 0.000 180.0 2 0.100 0.0 3 1085torsion 5 1 1 31 0.000 0.0 1 0.000 180.0 2 -0.065 0.0 3 1086torsion 5 1 1 32 0.000 0.0 1 0.000 180.0 2 -0.155 0.0 3 1087torsion 5 1 1 33 0.000 0.0 1 0.000 180.0 2 0.040 0.0 3 1088torsion 5 1 1 34 0.000 0.0 1 0.000 180.0 2 0.280 0.0 3 1089torsion 5 1 1 35 0.000 0.0 1 0.000 180.0 2 0.540 0.0 3 1090torsion 5 1 1 36 0.000 0.0 1 0.000 180.0 2 0.237 0.0 3 1091torsion 5 1 1 37 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 1092torsion 5 1 1 39 -0.150 0.0 1 0.000 180.0 2 0.150 0.0 3 1093torsion 5 1 1 41 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 1094torsion 5 1 1 43 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 1095torsion 5 1 1 46 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3 1096torsion 5 1 1 50 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 1097torsion 5 1 1 70 0.004 0.0 1 0.000 180.0 2 0.427 0.0 3 1098torsion 5 1 1 71 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3 1099torsion 6 1 1 6 0.000 0.0 1 -0.600 180.0 2 0.300 0.0 3 1100torsion 6 1 1 8 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1101torsion 6 1 1 9 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1102torsion 6 1 1 11 0.000 0.0 1 -1.400 180.0 2 0.180 0.0 3 1103torsion 6 1 1 12 0.000 0.0 1 -1.400 180.0 2 0.180 0.0 3 1104torsion 6 1 1 13 0.000 0.0 1 -1.400 180.0 2 0.180 0.0 3 1105torsion 6 1 1 14 0.000 0.0 1 -1.400 180.0 2 0.180 0.0 3 1106torsion 6 1 1 15 -0.800 0.0 1 0.900 180.0 2 -0.300 0.0 3 1107torsion 6 1 1 17 -0.800 0.0 1 0.900 180.0 2 -0.300 0.0 3 1108torsion 6 1 1 18 -0.800 0.0 1 0.000 180.0 2 -0.300 0.0 3 1109torsion 6 1 1 39 0.000 0.0 1 -0.600 180.0 2 0.300 0.0 3 1110torsion 6 1 1 70 -5.500 0.0 1 -2.500 180.0 2 2.000 0.0 3 1111torsion 6 1 1 71 -7.225 0.0 1 0.000 180.0 2 0.740 0.0 3 1112torsion 8 1 1 8 -0.400 0.0 1 -1.100 180.0 2 1.200 0.0 3 1113torsion 8 1 1 9 1.170 0.0 1 -1.263 180.0 2 2.064 0.0 3 1114torsion 9 1 1 9 0.000 0.0 1 0.000 180.0 2 -0.500 0.0 3 1115torsion 9 1 1 15 -1.000 0.0 1 -0.300 180.0 2 0.400 0.0 3 1116torsion 9 1 1 15 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1117torsion 11 1 1 11 -0.100 0.0 1 -2.000 180.0 2 0.200 0.0 3 1118torsion 11 1 1 12 0.000 0.0 1 0.000 180.0 2 0.253 0.0 3 1119torsion 11 1 1 13 0.000 0.0 1 0.000 180.0 2 0.253 0.0 3 1120torsion 12 1 1 12 -0.240 0.0 1 0.620 180.0 2 0.540 0.0 3 1121torsion 12 1 1 13 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 1122torsion 13 1 1 13 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1123torsion 15 1 1 15 -0.800 0.0 1 0.900 180.0 2 -0.300 0.0 3 1124torsion 15 1 1 17 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1125torsion 17 1 1 17 0.000 0.0 1 0.000 180.0 2 0.125 0.0 3 1126torsion 19 1 1 19 0.000 0.0 1 0.000 180.0 2 0.167 0.0 3 1127torsion 22 1 1 22 0.200 0.0 1 0.270 180.0 2 0.093 0.0 3 1128torsion 29 1 1 29 2.100 0.0 1 0.270 180.0 2 0.093 0.0 3 1129torsion 36 1 1 36 0.000 0.0 1 0.000 180.0 2 0.237 0.0 3 1130torsion 41 1 1 41 0.000 0.0 1 -0.600 180.0 2 0.300 0.0 3 1131torsion 1 1 2 1 0.400 0.0 1 0.030 180.0 2 0.500 0.0 3 1132torsion 1 1 2 2 -0.440 0.0 1 0.240 180.0 2 0.060 0.0 3 1133torsion 1 1 2 3 0.000 0.0 1 0.000 180.0 2 0.457 0.0 3 1134torsion 1 1 2 4 -0.440 0.0 1 0.240 180.0 2 0.060 0.0 3 1135torsion 1 1 2 5 0.000 0.0 1 0.000 180.0 2 0.010 0.0 3 1136torsion 1 1 2 6 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1137torsion 1 1 2 19 0.000 0.0 1 0.000 180.0 2 0.350 0.0 3 1138torsion 2 1 2 1 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3 1139torsion 2 1 2 2 0.100 0.0 1 0.000 180.0 2 0.500 0.0 3 1140torsion 2 1 2 5 0.000 0.0 1 0.000 180.0 2 0.600 0.0 3 1141torsion 2 1 2 6 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1142torsion 3 1 2 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1143torsion 3 1 2 2 0.000 0.0 1 0.000 180.0 2 0.100 0.0 3 1144torsion 3 1 2 5 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1145torsion 4 1 2 1 0.000 0.0 1 0.000 180.0 2 0.780 0.0 3 1146torsion 4 1 2 2 0.000 0.0 1 0.000 180.0 2 0.100 0.0 3 1147torsion 4 1 2 5 0.000 0.0 1 0.000 180.0 2 0.780 0.0 3 1148torsion 5 1 2 1 0.000 0.0 1 0.000 180.0 2 0.540 0.0 3 1149torsion 5 1 2 2 0.000 0.0 1 0.000 180.0 2 -0.240 0.0 3 1150torsion 5 1 2 3 0.000 0.0 1 0.000 180.0 2 0.200 0.0 3 1151torsion 5 1 2 4 0.000 0.0 1 0.000 180.0 2 -0.240 0.0 3 1152torsion 5 1 2 5 0.000 0.0 1 0.000 180.0 2 0.520 0.0 3 1153torsion 5 1 2 6 0.000 0.0 1 0.000 180.0 2 0.540 0.0 3 1154torsion 5 1 2 37 0.000 0.0 1 0.000 180.0 2 -0.240 0.0 3 1155torsion 6 1 2 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1156torsion 6 1 2 2 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1157torsion 6 1 2 5 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1158torsion 8 1 2 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1159torsion 8 1 2 2 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1160torsion 8 1 2 5 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1161torsion 11 1 2 2 1.243 0.0 1 1.445 180.0 2 -1.243 0.0 3 1162torsion 11 1 2 5 0.848 0.0 1 0.000 180.0 2 0.000 0.0 3 1163torsion 12 1 2 2 0.500 0.0 1 0.300 180.0 2 -0.500 0.0 3 1164torsion 12 1 2 5 1.500 0.0 1 0.000 180.0 2 0.000 0.0 3 1165torsion 15 1 2 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1166torsion 15 1 2 2 0.000 0.0 1 0.000 180.0 2 0.100 0.0 3 1167torsion 15 1 2 5 0.000 0.0 1 0.000 180.0 2 0.100 0.0 3 1168torsion 16 1 2 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1169torsion 16 1 2 2 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1170torsion 16 1 2 5 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1171torsion 19 1 2 2 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1172torsion 19 1 2 5 0.000 0.0 1 0.000 180.0 2 0.717 0.0 3 1173torsion 22 1 2 1 0.400 0.0 1 0.030 180.0 2 0.500 0.0 3 1174torsion 22 1 2 2 -0.440 0.0 1 0.240 180.0 2 0.060 0.0 3 1175torsion 22 1 2 5 0.000 0.0 1 0.000 180.0 2 0.010 0.0 3 1176torsion 36 1 2 2 0.000 0.0 1 0.000 180.0 2 -0.240 0.0 3 1177torsion 37 1 2 2 -0.440 0.0 1 0.000 180.0 2 0.100 0.0 3 1178torsion 37 1 2 5 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 1179torsion 39 1 2 2 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1180torsion 43 1 2 2 -0.440 0.0 1 0.000 180.0 2 0.100 0.0 3 1181torsion 43 1 2 5 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 1182torsion 1 1 3 1 1.200 0.0 1 0.200 180.0 2 0.150 0.0 3 1183torsion 1 1 3 2 0.000 0.0 1 0.000 180.0 2 -0.110 0.0 3 1184torsion 1 1 3 5 0.730 0.0 1 0.270 180.0 2 0.680 0.0 3 1185torsion 1 1 3 6 0.400 0.0 1 -0.300 180.0 2 -0.070 0.0 3 1186torsion 1 1 3 7 -0.130 0.0 1 0.904 180.0 2 0.050 0.0 3 1187torsion 1 1 3 9 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 1188torsion 1 1 3 72 -0.080 0.0 1 0.250 180.0 2 -0.700 0.0 3 1189torsion 2 1 3 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1190torsion 2 1 3 5 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1191torsion 2 1 3 6 0.000 0.0 1 0.000 180.0 2 -0.417 0.0 3 1192torsion 2 1 3 7 0.000 0.0 1 0.000 180.0 2 -0.350 0.0 3 1193torsion 2 1 3 9 3.410 0.0 1 0.663 180.0 2 -0.150 0.0 3 1194torsion 3 1 3 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1195torsion 3 1 3 5 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1196torsion 3 1 3 7 0.000 0.0 1 0.000 180.0 2 -0.350 0.0 3 1197torsion 3 1 3 9 3.299 0.0 1 -1.450 180.0 2 -2.300 0.0 3 1198torsion 5 1 3 1 0.000 0.0 1 0.000 180.0 2 0.130 0.0 3 1199torsion 5 1 3 2 0.000 0.0 1 0.000 180.0 2 -0.244 0.0 3 1200torsion 5 1 3 3 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 1201torsion 5 1 3 5 0.180 0.0 1 0.000 180.0 2 0.275 0.0 3 1202torsion 5 1 3 6 0.000 0.0 1 0.000 180.0 2 -0.016 0.0 3 1203torsion 5 1 3 7 -0.167 0.0 1 0.000 180.0 2 -0.100 0.0 3 1204torsion 5 1 3 9 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 1205torsion 5 1 3 72 0.000 0.0 1 0.000 180.0 2 0.002 0.0 3 1206torsion 6 1 3 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1207torsion 6 1 3 5 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1208torsion 6 1 3 6 3.550 0.0 1 -0.020 180.0 2 2.090 0.0 3 1209torsion 6 1 3 7 -0.420 0.0 1 2.330 180.0 2 0.640 0.0 3 1210torsion 8 1 3 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1211torsion 8 1 3 5 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1212torsion 8 1 3 7 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1213torsion 8 1 3 9 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1214torsion 9 1 3 6 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1215torsion 9 1 3 7 1.400 0.0 1 1.000 180.0 2 0.000 0.0 3 1216torsion 9 1 3 9 -1.300 0.0 1 1.000 180.0 2 0.000 0.0 3 1217torsion 11 1 3 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1218torsion 11 1 3 7 0.000 0.0 1 4.000 180.0 2 0.000 0.0 3 1219torsion 12 1 3 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1220torsion 12 1 3 7 0.000 0.0 1 2.600 180.0 2 0.000 0.0 3 1221torsion 13 1 3 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1222torsion 13 1 3 7 0.000 0.0 1 0.780 180.0 2 0.000 0.0 3 1223torsion 14 1 3 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1224torsion 14 1 3 7 0.000 0.0 1 0.000 180.0 2 -0.017 0.0 3 1225torsion 15 1 3 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1226torsion 15 1 3 5 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1227torsion 15 1 3 7 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1228torsion 16 1 3 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1229torsion 16 1 3 5 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1230torsion 16 1 3 7 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1231torsion 36 1 3 1 0.000 0.0 1 0.000 180.0 2 0.130 0.0 3 1232torsion 36 1 3 3 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 1233torsion 36 1 3 7 -0.167 0.0 1 0.000 180.0 2 -0.100 0.0 3 1234torsion 1 1 4 4 0.000 0.0 1 0.001 180.0 2 0.000 0.0 3 1235torsion 5 1 4 4 0.000 0.0 1 0.001 180.0 2 0.000 0.0 3 1236torsion 1 1 6 1 0.400 0.0 1 0.520 180.0 2 0.467 0.0 3 1237torsion 1 1 6 2 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 1238torsion 1 1 6 3 -2.030 0.0 1 1.210 180.0 2 -0.670 0.0 3 1239torsion 1 1 6 6 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 1240torsion 1 1 6 19 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 1241torsion 1 1 6 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1242torsion 1 1 6 21 0.800 0.0 1 0.000 180.0 2 0.090 0.0 3 1243torsion 1 1 6 25 -0.200 0.0 1 4.600 180.0 2 0.450 0.0 3 1244torsion 2 1 6 1 0.000 0.0 1 0.000 180.0 2 0.403 0.0 3 1245torsion 2 1 6 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1246torsion 2 1 6 21 0.000 0.0 1 0.000 180.0 2 0.090 0.0 3 1247torsion 3 1 6 1 0.000 0.0 1 0.000 180.0 2 0.403 0.0 3 1248torsion 3 1 6 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1249torsion 3 1 6 21 0.000 0.0 1 0.000 180.0 2 0.090 0.0 3 1250torsion 5 1 6 1 0.000 0.0 1 0.000 180.0 2 0.530 0.0 3 1251torsion 5 1 6 2 0.000 0.0 1 0.000 180.0 2 0.530 0.0 3 1252torsion 5 1 6 3 0.000 0.0 1 0.000 180.0 2 -0.132 0.0 3 1253torsion 5 1 6 6 0.000 0.0 1 0.000 180.0 2 0.465 0.0 3 1254torsion 5 1 6 19 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 1255torsion 5 1 6 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1256torsion 5 1 6 21 0.000 0.0 1 0.000 180.0 2 0.200 0.0 3 1257torsion 5 1 6 25 0.000 0.0 1 0.000 180.0 2 0.530 0.0 3 1258torsion 6 1 6 1 -0.170 0.0 1 -1.200 180.0 2 0.000 0.0 3 1259torsion 6 1 6 6 0.000 0.0 1 0.000 180.0 2 0.403 0.0 3 1260torsion 6 1 6 20 0.000 0.0 1 0.500 180.0 2 -0.200 0.0 3 1261torsion 6 1 6 21 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1262torsion 12 1 6 1 0.500 0.0 1 -0.420 180.0 2 0.000 0.0 3 1263torsion 12 1 6 20 0.000 0.0 1 1.500 180.0 2 0.000 0.0 3 1264torsion 71 1 6 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1265torsion 71 1 6 21 0.000 0.0 1 0.000 180.0 2 0.090 0.0 3 1266torsion 1 1 8 1 -0.200 0.0 1 0.730 180.0 2 0.800 0.0 3 1267torsion 1 1 8 8 -0.200 0.0 1 0.730 180.0 2 0.800 0.0 3 1268torsion 1 1 8 20 0.200 0.0 1 -0.220 180.0 2 0.100 0.0 3 1269torsion 1 1 8 23 0.000 0.0 1 0.120 180.0 2 0.100 0.0 3 1270torsion 2 1 8 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1271torsion 2 1 8 8 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1272torsion 2 1 8 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1273torsion 2 1 8 23 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1274torsion 3 1 8 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1275torsion 3 1 8 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1276torsion 3 1 8 23 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1277torsion 5 1 8 1 0.000 0.0 1 0.000 180.0 2 0.520 0.0 3 1278torsion 5 1 8 2 0.000 0.0 1 0.000 180.0 2 0.450 0.0 3 1279torsion 5 1 8 8 0.000 0.0 1 0.000 180.0 2 0.520 0.0 3 1280torsion 5 1 8 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1281torsion 5 1 8 23 0.000 0.0 1 0.000 180.0 2 0.250 0.0 3 1282torsion 8 1 8 1 0.000 0.0 1 0.000 180.0 2 0.350 0.0 3 1283torsion 8 1 8 8 0.000 0.0 1 0.000 180.0 2 0.350 0.0 3 1284torsion 8 1 8 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1285torsion 8 1 8 23 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1286torsion 39 1 8 1 0.000 0.0 1 0.000 180.0 2 0.350 0.0 3 1287torsion 39 1 8 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1288torsion 1 1 9 1 0.000 0.0 1 0.000 180.0 2 0.910 0.0 3 1289torsion 1 1 9 2 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1290torsion 1 1 9 3 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1291torsion 1 1 9 28 0.000 0.0 1 0.000 180.0 2 0.910 0.0 3 1292torsion 3 1 9 1 0.000 0.0 1 0.000 180.0 2 0.457 0.0 3 1293torsion 3 1 9 3 -0.200 0.0 1 -1.500 180.0 2 0.200 0.0 3 1294torsion 3 1 9 28 0.000 0.0 1 0.000 180.0 2 0.001 0.0 3 1295torsion 5 1 9 1 0.000 0.0 1 0.000 180.0 2 -0.200 0.0 3 1296torsion 5 1 9 2 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1297torsion 5 1 9 2 0.000 0.0 1 0.000 180.0 2 0.650 0.0 3 1298torsion 5 1 9 3 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1299torsion 5 1 9 18 0.000 0.0 1 0.000 180.0 2 0.125 0.0 3 1300torsion 5 1 9 28 0.000 0.0 1 0.000 180.0 2 0.160 0.0 3 1301torsion 15 1 9 1 1.200 0.0 1 0.300 180.0 2 1.634 0.0 3 1302torsion 15 1 9 3 -2.700 0.0 1 -3.400 180.0 2 -1.200 0.0 3 1303torsion 36 1 9 3 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1304torsion 36 1 9 28 0.000 0.0 1 0.000 180.0 2 0.160 0.0 3 1305torsion 1 1 15 1 -0.620 0.0 1 0.300 180.0 2 0.250 0.0 3 1306torsion 1 1 15 5 0.000 0.0 1 -0.350 180.0 2 0.367 0.0 3 1307torsion 1 1 15 15 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 1308torsion 2 1 15 1 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 1309torsion 2 1 15 5 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 1310torsion 2 1 15 15 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 1311torsion 3 1 15 1 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 1312torsion 3 1 15 5 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 1313torsion 5 1 15 1 0.000 0.0 1 0.000 180.0 2 0.540 0.0 3 1314torsion 5 1 15 5 0.000 0.0 1 0.000 180.0 2 0.320 0.0 3 1315torsion 5 1 15 15 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 1316torsion 9 1 15 1 0.734 0.0 1 0.153 180.0 2 0.601 0.0 3 1317torsion 15 1 15 1 0.000 0.0 1 -0.900 180.0 2 0.300 0.0 3 1318torsion 15 1 15 15 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 1319torsion 17 1 15 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1320torsion 1 1 16 1 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 1321torsion 1 1 16 5 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 1322torsion 2 1 16 1 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 1323torsion 2 1 16 5 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 1324torsion 3 1 16 1 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 1325torsion 3 1 16 5 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 1326torsion 5 1 16 1 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 1327torsion 5 1 16 5 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 1328torsion 1 1 17 1 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 1329torsion 1 1 17 7 -0.235 0.0 1 -0.150 180.0 2 0.175 0.0 3 1330torsion 5 1 17 1 0.000 0.0 1 0.000 180.0 2 0.550 0.0 3 1331torsion 5 1 17 7 0.000 0.0 1 0.000 180.0 2 0.175 0.0 3 1332torsion 15 1 17 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1333torsion 15 1 17 7 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1334torsion 17 1 17 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1335torsion 17 1 17 7 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1336torsion 1 1 18 1 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 1337torsion 1 1 18 7 -0.235 0.0 1 -0.150 180.0 2 0.175 0.0 3 1338torsion 5 1 18 1 0.000 0.0 1 0.000 180.0 2 0.550 0.0 3 1339torsion 5 1 18 7 0.000 0.0 1 0.000 180.0 2 0.175 0.0 3 1340torsion 5 1 18 9 0.000 0.0 1 0.000 180.0 2 0.125 0.0 3 1341torsion 1 1 19 1 0.000 0.0 1 0.300 180.0 2 0.167 0.0 3 1342torsion 1 1 19 2 0.000 0.0 1 0.000 180.0 2 0.167 0.0 3 1343torsion 1 1 19 5 0.000 0.0 1 0.000 180.0 2 0.272 0.0 3 1344torsion 1 1 19 6 0.000 0.0 1 0.000 180.0 2 0.167 0.0 3 1345torsion 1 1 19 19 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3 1346torsion 2 1 19 1 0.000 0.0 1 0.000 180.0 2 0.167 0.0 3 1347torsion 2 1 19 2 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 1348torsion 2 1 19 5 0.000 0.0 1 0.000 180.0 2 0.167 0.0 3 1349torsion 5 1 19 1 0.000 0.0 1 0.000 180.0 2 0.200 0.0 3 1350torsion 5 1 19 2 0.000 0.0 1 0.000 180.0 2 0.117 0.0 3 1351torsion 5 1 19 5 0.000 0.0 1 0.000 180.0 2 0.176 0.0 3 1352torsion 5 1 19 6 0.000 0.0 1 0.000 180.0 2 0.210 0.0 3 1353torsion 5 1 19 19 0.000 0.0 1 0.000 180.0 2 0.270 0.0 3 1354torsion 19 1 19 1 0.000 0.0 1 0.000 180.0 2 0.167 0.0 3 1355torsion 19 1 19 5 0.000 0.0 1 0.000 180.0 2 0.167 0.0 3 1356torsion 1 1 22 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1357torsion 1 1 22 5 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 1358torsion 1 1 22 22 0.300 0.0 1 0.000 180.0 2 0.450 0.0 3 1359torsion 1 1 22 49 0.000 0.0 1 0.000 180.0 2 0.530 0.0 3 1360torsion 2 1 22 5 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 1361torsion 2 1 22 22 0.300 0.0 1 0.000 180.0 2 0.450 0.0 3 1362torsion 5 1 22 1 0.000 0.0 1 0.000 180.0 2 0.690 0.0 3 1363torsion 5 1 22 5 0.000 0.0 1 0.000 180.0 2 0.690 0.0 3 1364torsion 5 1 22 22 0.000 0.0 1 0.000 180.0 2 0.120 0.0 3 1365torsion 5 1 22 49 0.000 0.0 1 0.000 180.0 2 0.530 0.0 3 1366torsion 22 1 22 1 0.200 0.0 1 0.270 180.0 2 0.093 0.0 3 1367torsion 22 1 22 5 0.000 0.0 1 0.000 180.0 2 0.120 0.0 3 1368torsion 22 1 22 22 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3 1369torsion 37 1 22 5 0.000 0.0 1 0.000 180.0 2 0.530 0.0 3 1370torsion 37 1 22 22 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1371torsion 43 1 22 5 0.000 0.0 1 0.000 180.0 2 0.530 0.0 3 1372torsion 43 1 22 22 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1373torsion 1 1 25 1 -0.150 0.0 1 0.000 180.0 2 0.500 0.0 3 1374torsion 1 1 25 2 -0.050 0.0 1 -0.100 180.0 2 0.300 0.0 3 1375torsion 1 1 25 5 -0.530 0.0 1 -0.400 180.0 2 0.600 0.0 3 1376torsion 5 1 25 1 0.050 0.0 1 0.000 180.0 2 0.420 0.0 3 1377torsion 5 1 25 2 0.050 0.0 1 0.000 180.0 2 0.200 0.0 3 1378torsion 5 1 25 5 0.000 0.0 1 0.000 180.0 2 0.428 0.0 3 1379torsion 1 1 29 1 0.400 0.0 1 0.030 180.0 2 0.500 0.0 3 1380torsion 1 1 29 5 0.000 0.0 1 0.200 180.0 2 0.200 0.0 3 1381torsion 5 1 29 1 0.000 0.0 1 0.000 180.0 2 0.340 0.0 3 1382torsion 5 1 29 5 0.000 0.0 1 0.000 180.0 2 0.250 0.0 3 1383torsion 1 1 31 1 0.000 0.0 1 0.000 180.0 2 0.152 0.0 3 1384torsion 1 1 31 5 0.000 0.0 1 0.000 180.0 2 0.152 0.0 3 1385torsion 5 1 31 1 0.000 0.0 1 0.000 180.0 2 0.127 0.0 3 1386torsion 5 1 31 5 0.000 0.0 1 0.000 180.0 2 0.132 0.0 3 1387torsion 1 1 32 1 0.000 0.0 1 -0.050 180.0 2 0.160 0.0 3 1388torsion 1 1 32 5 0.000 0.0 1 0.000 180.0 2 0.070 0.0 3 1389torsion 5 1 32 1 0.000 0.0 1 0.000 180.0 2 0.089 0.0 3 1390torsion 5 1 32 5 0.000 0.0 1 0.000 180.0 2 0.071 0.0 3 1391torsion 1 1 33 1 0.000 0.0 1 0.000 180.0 2 0.021 0.0 3 1392torsion 1 1 33 5 0.000 0.0 1 0.000 180.0 2 0.021 0.0 3 1393torsion 5 1 33 1 0.000 0.0 1 0.000 180.0 2 0.021 0.0 3 1394torsion 5 1 33 5 0.000 0.0 1 0.000 180.0 2 0.021 0.0 3 1395torsion 5 1 33 33 0.000 0.0 1 0.000 180.0 2 0.021 0.0 3 1396torsion 1 1 34 1 -0.620 0.0 1 0.300 180.0 2 0.350 0.0 3 1397torsion 1 1 34 5 0.000 0.0 1 -0.200 180.0 2 0.300 0.0 3 1398torsion 5 1 34 1 0.000 0.0 1 0.000 180.0 2 0.360 0.0 3 1399torsion 5 1 34 5 0.000 0.0 1 0.000 180.0 2 0.270 0.0 3 1400torsion 1 1 35 1 -0.440 0.0 1 -0.330 180.0 2 0.600 0.0 3 1401torsion 1 1 35 5 0.000 0.0 1 -0.200 180.0 2 0.300 0.0 3 1402torsion 5 1 35 1 0.000 0.0 1 0.000 180.0 2 0.360 0.0 3 1403torsion 5 1 35 5 0.000 0.0 1 0.000 180.0 2 0.270 0.0 3 1404torsion 1 1 37 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1405torsion 1 1 37 37 0.340 0.0 1 0.000 180.0 2 -0.900 0.0 3 1406torsion 1 1 37 43 0.340 0.0 1 0.000 180.0 2 -0.600 0.0 3 1407torsion 2 1 37 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1408torsion 2 1 37 43 -0.440 0.0 1 0.000 180.0 2 0.100 0.0 3 1409torsion 5 1 37 2 0.000 0.0 1 0.000 180.0 2 -0.240 0.0 3 1410torsion 5 1 37 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1411torsion 5 1 37 37 0.000 0.0 1 0.000 180.0 2 -0.316 0.0 3 1412torsion 5 1 37 43 0.000 0.0 1 0.000 180.0 2 -0.316 0.0 3 1413torsion 22 1 37 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1414torsion 22 1 37 43 0.000 0.0 1 0.000 180.0 2 0.100 0.0 3 1415torsion 5 1 38 22 0.000 0.0 1 0.000 180.0 2 0.540 0.0 3 1416torsion 1 1 39 1 -0.200 0.0 1 0.730 180.0 2 0.800 0.0 3 1417torsion 1 1 39 48 0.000 0.0 1 0.120 180.0 2 0.100 0.0 3 1418torsion 2 1 39 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1419torsion 2 1 39 48 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1420torsion 5 1 39 1 0.000 0.0 1 0.000 180.0 2 0.520 0.0 3 1421torsion 5 1 39 48 0.000 0.0 1 0.000 180.0 2 0.250 0.0 3 1422torsion 8 1 39 1 0.000 0.0 1 0.000 180.0 2 0.350 0.0 3 1423torsion 1 1 41 2 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 1424torsion 1 1 41 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1425torsion 5 1 41 2 0.000 0.0 1 0.000 180.0 2 0.350 0.0 3 1426torsion 5 1 41 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1427torsion 1 1 43 7 0.000 0.0 1 0.000 180.0 2 -0.600 0.0 3 1428torsion 1 1 43 37 0.000 0.0 1 0.000 180.0 2 -1.200 0.0 3 1429torsion 2 1 43 7 0.000 0.0 1 0.000 180.0 2 -0.600 0.0 3 1430torsion 2 1 43 37 -0.440 0.0 1 0.000 180.0 2 0.100 0.0 3 1431torsion 5 1 43 7 0.000 0.0 1 0.000 180.0 2 -0.316 0.0 3 1432torsion 5 1 43 37 0.000 0.0 1 0.000 180.0 2 -0.316 0.0 3 1433torsion 22 1 43 7 0.000 0.0 1 0.000 180.0 2 -1.750 0.0 3 1434torsion 22 1 43 37 0.000 0.0 1 0.000 180.0 2 0.700 0.0 3 1435torsion 1 1 46 7 0.000 0.0 1 0.410 180.0 2 0.000 0.0 3 1436torsion 5 1 46 7 0.000 0.0 1 0.000 180.0 2 0.060 0.0 3 1437torsion 1 1 50 50 -0.440 0.0 1 0.240 180.0 2 0.060 0.0 3 1438torsion 5 1 50 50 0.000 0.0 1 0.000 180.0 2 -0.240 0.0 3 1439torsion 50 1 50 50 0.100 0.0 1 0.000 180.0 2 0.500 0.0 3 1440torsion 1 1 70 71 -1.340 0.0 1 1.020 180.0 2 -0.900 0.0 3 1441torsion 5 1 70 71 0.000 0.0 1 0.000 180.0 2 -0.620 0.0 3 1442torsion 1 1 71 1 1.200 0.0 1 0.200 180.0 2 0.150 0.0 3 1443torsion 1 1 71 5 0.730 0.0 1 0.270 180.0 2 0.680 0.0 3 1444torsion 1 1 71 70 -0.250 0.0 1 0.200 180.0 2 0.000 0.0 3 1445torsion 5 1 71 1 0.000 0.0 1 0.000 180.0 2 0.130 0.0 3 1446torsion 5 1 71 5 0.180 0.0 1 0.000 180.0 2 0.275 0.0 3 1447torsion 5 1 71 70 0.000 0.0 1 0.000 180.0 2 -0.270 0.0 3 1448torsion 6 1 71 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1449torsion 6 1 71 5 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1450torsion 6 1 71 70 -3.870 0.0 1 5.700 180.0 2 0.000 0.0 3 1451torsion 5 1 72 3 0.000 0.0 1 0.000 180.0 2 -1.000 0.0 3 1452torsion 5 1 72 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1453torsion 1 2 2 1 -0.100 0.0 1 10.000 180.0 2 0.000 0.0 3 1454torsion 1 2 2 2 -0.270 0.0 1 10.000 180.0 2 0.000 0.0 3 1455torsion 1 2 2 3 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1456torsion 1 2 2 5 0.000 0.0 1 12.500 180.0 2 0.000 0.0 3 1457torsion 1 2 2 6 -1.200 0.0 1 16.250 180.0 2 0.000 0.0 3 1458torsion 1 2 2 12 0.320 0.0 1 15.500 180.0 2 0.000 0.0 3 1459torsion 1 2 2 14 -1.320 0.0 1 15.500 180.0 2 0.000 0.0 3 1460torsion 1 2 2 19 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1461torsion 1 2 2 37 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1462torsion 2 2 2 2 -0.930 0.0 1 8.000 180.0 2 0.000 0.0 3 1463torsion 2 2 2 3 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1464torsion 2 2 2 4 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1465torsion 2 2 2 5 0.000 0.0 1 9.000 180.0 2 -1.060 0.0 3 1466torsion 2 2 2 6 0.000 0.0 1 16.250 180.0 2 0.000 0.0 3 1467torsion 2 2 2 8 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1468torsion 2 2 2 9 0.000 0.0 1 12.000 180.0 2 0.000 0.0 3 1469torsion 2 2 2 11 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1470torsion 2 2 2 12 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1471torsion 2 2 2 13 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1472torsion 2 2 2 14 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1473torsion 2 2 2 19 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1474torsion 2 2 2 22 -0.270 0.0 1 15.000 180.0 2 0.000 0.0 3 1475torsion 2 2 2 25 0.000 0.0 1 16.250 180.0 2 0.000 0.0 3 1476torsion 2 2 2 37 1.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1477torsion 2 2 2 40 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1478torsion 2 2 2 41 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1479torsion 2 2 2 42 0.000 0.0 1 15.000 180.0 2 2.600 0.0 3 1480torsion 2 2 2 46 0.000 0.0 1 8.000 180.0 2 0.000 0.0 3 1481torsion 3 2 2 3 0.000 0.0 1 8.700 180.0 2 0.000 0.0 3 1482torsion 3 2 2 5 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1483torsion 3 2 2 14 -0.500 0.0 1 15.500 180.0 2 0.000 0.0 3 1484torsion 4 2 2 5 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1485torsion 5 2 2 5 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1486torsion 5 2 2 6 0.000 0.0 1 16.250 180.0 2 0.000 0.0 3 1487torsion 5 2 2 8 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1488torsion 5 2 2 9 0.000 0.0 1 12.000 180.0 2 0.000 0.0 3 1489torsion 5 2 2 11 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1490torsion 5 2 2 12 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1491torsion 5 2 2 13 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1492torsion 5 2 2 14 -1.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1493torsion 5 2 2 19 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1494torsion 5 2 2 22 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1495torsion 5 2 2 25 0.000 0.0 1 16.250 180.0 2 0.000 0.0 3 1496torsion 5 2 2 37 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1497torsion 5 2 2 40 0.000 0.0 1 15.000 180.0 2 -1.060 0.0 3 1498torsion 5 2 2 41 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1499torsion 5 2 2 42 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1500torsion 5 2 2 46 0.000 0.0 1 8.500 180.0 2 0.000 0.0 3 1501torsion 5 2 2 72 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1502torsion 6 2 2 6 -2.000 0.0 1 16.250 180.0 2 0.000 0.0 3 1503torsion 6 2 2 12 -0.500 0.0 1 15.500 180.0 2 0.000 0.0 3 1504torsion 6 2 2 13 0.000 0.0 1 15.500 180.0 2 0.000 0.0 3 1505torsion 6 2 2 14 0.000 0.0 1 5.250 180.0 2 0.000 0.0 3 1506torsion 11 2 2 11 -2.060 0.0 1 15.500 180.0 2 0.000 0.0 3 1507torsion 12 2 2 12 -1.600 0.0 1 15.500 180.0 2 0.000 0.0 3 1508torsion 13 2 2 13 -0.800 0.0 1 15.500 180.0 2 0.000 0.0 3 1509torsion 14 2 2 14 -3.840 0.0 1 15.500 180.0 2 0.000 0.0 3 1510torsion 14 2 2 41 -1.000 0.0 1 15.500 180.0 2 0.000 0.0 3 1511torsion 19 2 2 19 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1512torsion 37 2 2 37 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1513torsion 37 2 2 40 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1514torsion 40 2 2 40 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1515torsion 41 2 2 41 -2.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1516torsion 42 2 2 42 3.000 0.0 1 15.000 180.0 2 0.500 0.0 3 1517torsion 1 2 3 1 2.600 0.0 1 15.000 180.0 2 0.000 0.0 3 1518torsion 1 2 3 2 0.000 0.0 1 11.100 180.0 2 0.000 0.0 3 1519torsion 1 2 3 5 3.300 0.0 1 15.000 180.0 2 0.000 0.0 3 1520torsion 1 2 3 7 2.750 0.0 1 15.000 180.0 2 0.000 0.0 3 1521torsion 2 2 3 1 -2.300 0.0 1 11.100 180.0 2 0.000 0.0 3 1522torsion 2 2 3 2 0.500 0.0 1 11.100 180.0 2 0.000 0.0 3 1523torsion 2 2 3 3 -0.900 0.0 1 15.500 180.0 2 0.000 0.0 3 1524torsion 2 2 3 5 0.500 0.0 1 11.100 180.0 2 0.000 0.0 3 1525torsion 2 2 3 6 0.000 0.0 1 16.250 180.0 2 0.000 0.0 3 1526torsion 2 2 3 7 1.530 0.0 1 6.500 180.0 2 0.830 0.0 3 1527torsion 2 2 3 9 0.000 0.0 1 1.500 180.0 2 0.000 0.0 3 1528torsion 2 2 3 72 1.550 0.0 1 0.510 180.0 2 1.060 0.0 3 1529torsion 5 2 3 1 0.000 0.0 1 11.100 180.0 2 0.000 0.0 3 1530torsion 5 2 3 2 0.400 0.0 1 11.100 180.0 2 0.000 0.0 3 1531torsion 5 2 3 3 0.000 0.0 1 9.800 180.0 2 0.000 0.0 3 1532torsion 5 2 3 5 2.800 0.0 1 13.000 180.0 2 0.000 0.0 3 1533torsion 5 2 3 7 3.000 0.0 1 11.100 180.0 2 0.000 0.0 3 1534torsion 5 2 3 72 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1535torsion 2 2 4 4 0.000 0.0 1 0.001 180.0 2 0.000 0.0 3 1536torsion 1 2 6 1 2.300 0.0 1 4.000 180.0 2 0.000 0.0 3 1537torsion 1 2 6 2 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1538torsion 1 2 6 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1539torsion 2 2 6 1 3.530 0.0 1 2.300 180.0 2 -3.530 0.0 3 1540torsion 2 2 6 2 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1541torsion 2 2 6 3 0.000 0.0 1 2.300 180.0 2 0.000 0.0 3 1542torsion 2 2 6 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1543torsion 2 2 6 25 0.100 0.0 1 4.600 180.0 2 0.000 0.0 3 1544torsion 2 2 6 28 2.000 0.0 1 1.700 180.0 2 -2.000 0.0 3 1545torsion 5 2 6 1 3.000 0.0 1 3.100 180.0 2 0.000 0.0 3 1546torsion 5 2 6 2 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1547torsion 5 2 6 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1548torsion 5 2 6 25 -0.100 0.0 1 2.000 180.0 2 0.000 0.0 3 1549torsion 5 2 6 28 2.940 0.0 1 1.500 180.0 2 -1.100 0.0 3 1550torsion 2 2 8 1 -1.570 0.0 1 3.200 180.0 2 0.000 0.0 3 1551torsion 2 2 8 20 0.000 0.0 1 0.000 180.0 2 0.010 0.0 3 1552torsion 2 2 8 23 0.000 0.0 1 2.000 180.0 2 0.000 0.0 3 1553torsion 5 2 8 1 1.570 0.0 1 1.690 180.0 2 0.000 0.0 3 1554torsion 5 2 8 20 0.000 0.0 1 0.000 180.0 2 0.010 0.0 3 1555torsion 5 2 8 23 0.000 0.0 1 1.690 180.0 2 0.000 0.0 3 1556torsion 2 2 9 1 0.000 0.0 1 2.000 180.0 2 0.000 0.0 3 1557torsion 2 2 9 2 0.000 0.0 1 0.000 180.0 2 1.490 0.0 3 1558torsion 2 2 9 3 0.000 0.0 1 2.000 180.0 2 0.000 0.0 3 1559torsion 2 2 9 28 0.000 0.0 1 2.000 180.0 2 0.000 0.0 3 1560torsion 5 2 9 3 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1561torsion 5 2 9 28 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1562torsion 9 2 9 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1563torsion 9 2 9 28 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1564torsion 1 2 19 1 0.000 0.0 1 0.000 180.0 2 0.350 0.0 3 1565torsion 2 2 19 1 -0.440 0.0 1 -0.240 180.0 2 0.060 0.0 3 1566torsion 2 2 19 2 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 1567torsion 2 2 19 5 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1568torsion 2 2 19 19 -0.440 0.0 1 -0.240 180.0 2 0.060 0.0 3 1569torsion 5 2 19 1 0.000 0.0 1 0.000 180.0 2 0.717 0.0 3 1570torsion 5 2 19 2 0.000 0.0 1 0.000 180.0 2 0.600 0.0 3 1571torsion 5 2 19 5 0.000 0.0 1 0.000 180.0 2 0.520 0.0 3 1572torsion 2 2 22 2 0.100 0.0 1 0.000 180.0 2 0.500 0.0 3 1573torsion 2 2 22 5 -0.300 0.0 1 1.600 180.0 2 -0.500 0.0 3 1574torsion 2 2 22 22 -0.440 0.0 1 0.240 180.0 2 0.060 0.0 3 1575torsion 2 2 22 49 0.001 0.0 1 0.000 180.0 2 0.000 0.0 3 1576torsion 5 2 22 2 0.000 0.0 1 0.000 180.0 2 0.600 0.0 3 1577torsion 5 2 22 5 0.000 0.0 1 0.000 180.0 2 0.520 0.0 3 1578torsion 5 2 22 22 0.000 0.0 1 0.000 180.0 2 0.010 0.0 3 1579torsion 2 2 25 1 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 1580torsion 2 2 25 2 0.000 0.0 1 0.000 180.0 2 0.330 0.0 3 1581torsion 1 2 37 2 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1582torsion 1 2 37 20 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1583torsion 1 2 37 23 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1584torsion 2 2 37 2 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1585torsion 2 2 37 20 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1586torsion 2 2 37 23 0.750 0.0 1 10.000 180.0 2 0.000 0.0 3 1587torsion 2 2 37 37 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1588torsion 2 2 37 40 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1589torsion 5 2 37 1 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1590torsion 5 2 37 2 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1591torsion 5 2 37 20 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1592torsion 5 2 37 23 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1593torsion 5 2 37 37 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1594torsion 5 2 37 40 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1595torsion 37 2 37 2 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1596torsion 37 2 37 20 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1597torsion 37 2 37 37 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1598torsion 37 2 37 40 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1599torsion 40 2 37 2 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1600torsion 40 2 37 20 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1601torsion 5 2 38 22 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1602torsion 2 2 40 2 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1603torsion 2 2 40 23 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1604torsion 2 2 40 37 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1605torsion 5 2 40 2 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1606torsion 5 2 40 23 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1607torsion 5 2 40 37 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1608torsion 37 2 40 2 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1609torsion 37 2 40 23 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1610torsion 37 2 40 37 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1611torsion 2 2 41 1 0.000 0.0 1 9.200 180.0 2 0.000 0.0 3 1612torsion 2 2 41 2 0.000 0.0 1 8.300 180.0 2 -0.800 0.0 3 1613torsion 2 2 41 20 0.000 0.0 1 0.000 180.0 2 0.250 0.0 3 1614torsion 2 2 41 28 1.000 0.0 1 7.000 180.0 2 0.000 0.0 3 1615torsion 5 2 41 1 -0.820 0.0 1 9.200 180.0 2 3.700 0.0 3 1616torsion 5 2 41 2 -0.460 0.0 1 2.700 180.0 2 0.700 0.0 3 1617torsion 5 2 41 20 0.000 0.0 1 7.500 180.0 2 0.000 0.0 3 1618torsion 5 2 41 28 1.250 0.0 1 0.000 180.0 2 0.500 0.0 3 1619torsion 12 2 41 2 0.000 0.0 1 15.500 180.0 2 0.000 0.0 3 1620torsion 12 2 41 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1621torsion 13 2 41 2 0.000 0.0 1 15.500 180.0 2 0.000 0.0 3 1622torsion 13 2 41 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1623torsion 14 2 41 2 0.000 0.0 1 15.500 180.0 2 0.000 0.0 3 1624torsion 14 2 41 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1625torsion 2 2 42 2 0.000 0.0 1 1.700 180.0 2 0.400 0.0 3 1626torsion 5 2 42 2 0.000 0.0 1 1.700 180.0 2 0.000 0.0 3 1627torsion 2 2 46 7 0.000 0.0 1 1.500 180.0 2 0.000 0.0 3 1628torsion 5 2 46 7 0.000 0.0 1 1.300 180.0 2 0.000 0.0 3 1629torsion 2 2 72 3 1.581 0.0 1 3.430 180.0 2 3.010 0.0 3 1630torsion 2 2 72 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1631torsion 5 2 72 3 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1632torsion 5 2 72 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1633torsion 1 3 3 1 1.000 0.0 1 6.500 180.0 2 0.000 0.0 3 1634torsion 1 3 3 5 0.000 0.0 1 5.200 180.0 2 0.000 0.0 3 1635torsion 1 3 3 7 -1.000 0.0 1 6.500 180.0 2 0.000 0.0 3 1636torsion 2 3 3 2 1.000 0.0 1 12.500 180.0 2 0.000 0.0 3 1637torsion 2 3 3 5 0.000 0.0 1 5.000 180.0 2 0.000 0.0 3 1638torsion 2 3 3 7 -0.700 0.0 1 12.500 180.0 2 0.000 0.0 3 1639torsion 5 3 3 5 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1640torsion 5 3 3 7 -0.120 0.0 1 10.000 180.0 2 0.000 0.0 3 1641torsion 5 3 3 36 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1642torsion 7 3 3 7 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1643torsion 7 3 3 36 -0.120 0.0 1 10.000 180.0 2 0.000 0.0 3 1644torsion 36 3 3 36 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1645torsion 1 3 6 1 -2.500 0.0 1 1.390 180.0 2 0.000 0.0 3 1646torsion 1 3 6 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1647torsion 1 3 6 24 0.000 0.0 1 0.500 180.0 2 0.000 0.0 3 1648torsion 2 3 6 1 3.530 0.0 1 2.300 180.0 2 -3.530 0.0 3 1649torsion 5 3 6 1 0.000 0.0 1 0.880 180.0 2 0.000 0.0 3 1650torsion 5 3 6 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1651torsion 5 3 6 24 -0.770 0.0 1 0.850 180.0 2 0.000 0.0 3 1652torsion 7 3 6 1 -1.660 0.0 1 8.980 180.0 2 0.000 0.0 3 1653torsion 7 3 6 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1654torsion 7 3 6 24 -3.285 0.0 1 5.600 180.0 2 0.000 0.0 3 1655torsion 1 3 9 1 1.100 0.0 1 5.000 180.0 2 0.000 0.0 3 1656torsion 1 3 9 2 -4.000 0.0 1 2.700 180.0 2 0.500 0.0 3 1657torsion 1 3 9 3 -0.900 0.0 1 1.600 180.0 2 0.000 0.0 3 1658torsion 1 3 9 28 0.000 0.0 1 5.000 180.0 2 0.000 0.0 3 1659torsion 2 3 9 1 0.000 0.0 1 5.000 180.0 2 0.000 0.0 3 1660torsion 5 3 9 1 0.000 0.0 1 5.000 180.0 2 0.000 0.0 3 1661torsion 5 3 9 3 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1662torsion 5 3 9 28 0.000 0.0 1 5.000 180.0 2 0.000 0.0 3 1663torsion 7 3 9 1 0.000 0.0 1 5.000 180.0 2 0.000 0.0 3 1664torsion 7 3 9 2 -0.600 0.0 1 4.200 180.0 2 0.000 0.0 3 1665torsion 7 3 9 2 -3.100 0.0 1 2.900 180.0 2 0.000 0.0 3 1666torsion 7 3 9 3 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1667torsion 7 3 9 3 0.600 0.0 1 1.300 180.0 2 0.000 0.0 3 1668torsion 7 3 9 28 1.100 0.0 1 5.000 180.0 2 0.000 0.0 3 1669torsion 9 3 9 1 0.000 0.0 1 0.000 180.0 2 0.010 0.0 3 1670torsion 9 3 9 2 2.400 0.0 1 2.500 180.0 2 0.000 0.0 3 1671torsion 9 3 9 3 0.800 0.0 1 1.300 180.0 2 0.000 0.0 3 1672torsion 9 3 9 28 0.000 0.0 1 1.000 180.0 2 0.000 0.0 3 1673torsion 7 3 22 5 -0.167 0.0 1 0.000 180.0 2 -0.100 0.0 3 1674torsion 7 3 22 22 -0.300 0.0 1 1.200 180.0 2 -0.350 0.0 3 1675torsion 22 3 22 5 0.000 0.0 1 0.000 180.0 2 0.130 0.0 3 1676torsion 1 3 72 1 -1.900 0.0 1 17.800 180.0 2 0.000 0.0 3 1677torsion 1 3 72 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1678torsion 1 3 72 23 -0.950 0.0 1 17.950 180.0 2 1.110 0.0 3 1679torsion 2 3 72 1 -1.090 0.0 1 17.950 180.0 2 0.000 0.0 3 1680torsion 2 3 72 2 1.150 0.0 1 15.250 180.0 2 0.000 0.0 3 1681torsion 2 3 72 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1682torsion 5 3 72 1 0.000 0.0 1 16.900 180.0 2 1.600 0.0 3 1683torsion 5 3 72 2 0.000 0.0 1 14.150 180.0 2 -0.990 0.0 3 1684torsion 5 3 72 5 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1685torsion 5 3 72 5 0.000 0.0 1 16.000 180.0 2 1.600 0.0 3 1686torsion 5 3 72 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1687torsion 5 3 72 23 0.000 0.0 1 16.800 180.0 2 0.000 0.0 3 1688torsion 1 4 4 2 0.000 0.0 1 0.001 180.0 2 0.000 0.0 3 1689torsion 1 4 4 4 0.000 0.0 1 0.001 180.0 2 0.000 0.0 3 1690torsion 2 4 4 2 0.000 0.0 1 0.001 180.0 2 0.000 0.0 3 1691torsion 2 4 4 4 0.000 0.0 1 0.001 180.0 2 0.000 0.0 3 1692torsion 2 4 4 5 0.000 0.0 1 0.001 180.0 2 0.000 0.0 3 1693torsion 4 4 4 4 0.000 0.0 1 0.001 180.0 2 0.000 0.0 3 1694torsion 1 6 6 1 2.095 0.0 1 -2.155 180.0 2 -0.113 0.0 3 1695torsion 1 6 6 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1696torsion 1 6 6 21 2.865 0.0 1 -2.305 180.0 2 0.505 0.0 3 1697torsion 20 6 6 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1698torsion 20 6 6 21 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1699torsion 21 6 6 21 0.753 0.0 1 -1.202 180.0 2 -0.250 0.0 3 1700torsion 1 6 19 1 0.000 0.0 1 0.000 180.0 2 0.230 0.0 3 1701torsion 1 6 19 5 0.000 0.0 1 0.000 180.0 2 0.320 0.0 3 1702torsion 1 6 19 6 0.000 0.0 1 0.000 180.0 2 0.150 0.0 3 1703torsion 19 6 19 1 0.000 0.0 1 0.000 180.0 2 0.100 0.0 3 1704torsion 19 6 19 5 0.000 0.0 1 0.000 180.0 2 0.100 0.0 3 1705torsion 19 6 19 6 0.000 0.0 1 0.000 180.0 2 0.100 0.0 3 1706torsion 20 6 19 1 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1707torsion 20 6 19 5 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1708torsion 20 6 19 6 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1709torsion 1 6 25 6 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 1710torsion 2 6 25 6 0.200 0.0 1 0.000 180.0 2 -0.300 0.0 3 1711torsion 20 6 25 6 -0.300 0.0 1 1.200 180.0 2 -0.350 0.0 3 1712torsion 1 8 8 1 0.900 0.0 1 -6.800 180.0 2 0.210 0.0 3 1713torsion 1 8 8 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1714torsion 1 8 8 23 2.000 0.0 1 -8.500 180.0 2 0.800 0.0 3 1715torsion 8 8 8 23 0.025 0.0 1 0.000 180.0 2 0.000 0.0 3 1716torsion 20 8 8 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1717torsion 20 8 8 23 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1718torsion 23 8 8 23 1.800 0.0 1 -9.680 180.0 2 0.210 0.0 3 1719torsion 1 9 18 1 -4.000 0.0 1 -3.000 180.0 2 -2.100 0.0 3 1720torsion 1 9 18 7 -0.500 0.0 1 -1.000 180.0 2 0.000 0.0 3 1721torsion 28 9 18 1 -0.500 0.0 1 -2.000 180.0 2 -4.000 0.0 3 1722torsion 28 9 18 5 0.000 0.0 1 0.000 180.0 2 0.030 0.0 3 1723torsion 28 9 18 7 0.000 0.0 1 0.000 180.0 2 0.060 0.0 3 1724torsion 1 15 15 1 0.000 0.0 1 -7.000 180.0 2 0.467 0.0 3 1725torsion 5 15 15 5 0.000 0.0 1 -7.000 180.0 2 0.000 0.0 3 1726torsion 1 19 19 1 0.000 0.0 1 0.000 180.0 2 0.633 0.0 3 1727torsion 1 19 19 2 0.170 0.0 1 0.270 180.0 2 0.093 0.0 3 1728torsion 1 19 19 19 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3 1729torsion 2 19 19 2 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 1730torsion 2 19 19 5 0.000 0.0 1 0.000 180.0 2 0.450 0.0 3 1731torsion 5 19 19 5 0.000 0.0 1 0.000 180.0 2 0.136 0.0 3 1732torsion 5 19 19 19 0.000 0.0 1 0.000 180.0 2 0.070 0.0 3 1733torsion 19 19 19 19 0.000 0.0 1 0.000 180.0 2 0.100 0.0 3 1734torsion 5 19 22 5 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 1735torsion 5 19 22 22 0.000 0.0 1 0.000 180.0 2 0.083 0.0 3 1736torsion 1 22 22 1 0.200 0.0 1 0.270 180.0 2 0.240 0.0 3 1737torsion 1 22 22 3 0.200 0.0 1 0.200 180.0 2 0.000 0.0 3 1738torsion 1 22 22 5 0.000 0.0 1 0.000 180.0 2 0.120 0.0 3 1739torsion 1 22 22 22 0.200 0.0 1 0.270 180.0 2 0.093 0.0 3 1740torsion 1 22 22 49 0.000 0.0 1 0.000 180.0 2 0.530 0.0 3 1741torsion 2 22 22 2 0.200 0.0 1 0.270 180.0 2 0.093 0.0 3 1742torsion 2 22 22 5 0.000 0.0 1 0.000 180.0 2 0.120 0.0 3 1743torsion 2 22 22 22 0.170 0.0 1 0.270 180.0 2 0.093 0.0 3 1744torsion 2 22 22 49 0.000 0.0 1 0.000 180.0 2 0.530 0.0 3 1745torsion 3 22 22 5 0.000 0.0 1 0.000 180.0 2 0.120 0.0 3 1746torsion 3 22 22 22 0.200 0.0 1 0.200 180.0 2 0.000 0.0 3 1747torsion 5 22 22 5 0.000 0.0 1 0.000 180.0 2 0.137 0.0 3 1748torsion 5 22 22 19 0.000 0.0 1 0.000 180.0 2 0.120 0.0 3 1749torsion 5 22 22 22 0.000 0.0 1 0.000 180.0 2 0.167 0.0 3 1750torsion 5 22 22 38 0.000 0.0 1 2.000 180.0 2 0.500 0.0 3 1751torsion 5 22 22 46 0.000 0.0 1 0.000 180.0 2 0.200 0.0 3 1752torsion 5 22 22 49 0.000 0.0 1 0.000 180.0 2 0.530 0.0 3 1753torsion 19 22 22 22 0.220 0.0 1 0.270 180.0 2 0.093 0.0 3 1754torsion 22 22 22 22 -0.520 0.0 1 0.000 180.0 2 0.160 0.0 3 1755torsion 22 22 22 46 0.000 0.0 1 0.000 180.0 2 0.167 0.0 3 1756torsion 5 22 38 1 0.000 0.0 1 0.000 180.0 2 0.540 0.0 3 1757torsion 5 22 38 2 0.000 0.0 1 0.000 180.0 2 -0.240 0.0 3 1758torsion 5 22 38 5 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1759torsion 5 22 38 22 0.000 0.0 1 2.000 180.0 2 0.540 0.0 3 1760torsion 5 22 38 38 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1761torsion 22 22 38 2 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1762torsion 22 22 38 5 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1763torsion 38 22 38 1 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3 1764torsion 38 22 38 2 0.100 0.0 1 0.000 180.0 2 0.500 0.0 3 1765torsion 38 22 38 5 0.000 0.0 1 0.000 180.0 2 0.600 0.0 3 1766torsion 5 22 46 7 0.000 0.0 1 1.000 180.0 2 0.000 0.0 3 1767torsion 22 22 46 7 0.000 0.0 1 2.000 180.0 2 0.000 0.0 3 1768torsion 1 22 49 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1769torsion 1 22 49 22 0.000 0.0 1 0.000 180.0 2 1.210 0.0 3 1770torsion 2 22 49 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1771torsion 2 22 49 22 0.000 0.0 1 0.000 180.0 2 1.210 0.0 3 1772torsion 5 22 49 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1773torsion 5 22 49 22 0.000 0.0 1 0.000 180.0 2 1.210 0.0 3 1774torsion 22 22 49 20 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 1775torsion 1 33 33 1 0.000 0.0 1 0.000 180.0 2 0.021 0.0 3 1776torsion 1 37 37 1 -1.900 0.0 1 10.000 180.0 2 0.000 0.0 3 1777torsion 1 37 37 20 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1778torsion 2 37 37 2 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1779torsion 2 37 37 20 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1780torsion 20 37 37 20 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1781torsion 20 37 37 23 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1782torsion 23 37 37 23 2.400 0.0 1 15.000 180.0 2 0.000 0.0 3 1783torsion 2 37 40 2 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1784torsion 2 37 40 23 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1785torsion 20 37 40 2 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1786torsion 20 37 40 23 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1787torsion 1 37 43 1 -1.900 0.0 1 10.000 180.0 2 0.000 0.0 3 1788torsion 1 37 43 7 -5.400 0.0 1 10.000 180.0 2 0.000 0.0 3 1789torsion 20 37 43 1 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1790torsion 20 37 43 7 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 1791torsion 1 38 38 22 -0.100 0.0 1 15.000 180.0 2 0.000 0.0 3 1792torsion 5 38 38 5 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1793torsion 5 38 38 22 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 1794torsion 1 50 50 1 -0.100 0.0 1 9.000 180.0 2 0.000 0.0 3 1795torsion 1 50 50 5 0.000 0.0 1 9.000 180.0 2 0.000 0.0 3 1796torsion 1 50 50 50 -0.270 0.0 1 9.000 180.0 2 0.000 0.0 3 1797torsion 5 50 50 5 0.000 0.0 1 9.000 180.0 2 0.000 0.0 3 1798torsion 5 50 50 50 0.000 0.0 1 5.405 180.0 2 -1.060 0.0 3 1799torsion 50 50 50 50 -0.930 0.0 1 4.800 180.0 2 0.000 0.0 3 1800torsion 1 70 71 1 0.000 0.0 1 10.560 180.0 2 0.000 0.0 3 1801torsion 1 70 71 5 0.000 0.0 1 9.070 180.0 2 0.000 0.0 3 1802 1803 1804 ##################################### 1805 ## ## 1806 ## Torsional Parameters (4-Ring) ## 1807 ## ## 1808 ##################################### 1809 1810 1811torsion4 1 1 1 1 0.200 0.0 1 0.270 180.0 2 1.533 0.0 3 1812torsion4 1 1 1 2 0.000 0.0 1 0.000 180.0 2 1.900 0.0 3 1813torsion4 1 1 1 3 0.200 0.0 1 0.270 180.0 2 1.533 0.0 3 1814torsion4 1 1 1 6 0.130 0.0 1 0.000 180.0 2 1.500 0.0 3 1815torsion4 1 1 1 8 0.100 0.0 1 0.400 180.0 2 2.500 0.0 3 1816torsion4 1 1 1 15 0.000 0.0 1 -0.100 180.0 2 1.100 0.0 3 1817torsion4 1 1 1 19 0.100 0.0 1 0.000 180.0 2 0.900 0.0 3 1818torsion4 1 1 1 31 0.000 0.0 1 0.000 180.0 2 -0.065 0.0 3 1819torsion4 1 1 1 39 0.100 0.0 1 0.400 180.0 2 2.500 0.0 3 1820torsion4 2 1 1 2 0.200 0.0 1 0.270 180.0 2 1.530 0.0 3 1821torsion4 3 1 1 6 0.100 0.0 1 0.000 180.0 2 1.500 0.0 3 1822torsion4 3 1 1 9 0.000 0.0 1 0.000 180.0 2 0.250 0.0 3 1823torsion4 22 1 1 22 0.200 0.0 1 0.270 180.0 2 1.533 0.0 3 1824torsion4 37 1 1 37 0.000 0.0 1 0.000 180.0 2 1.533 0.0 3 1825torsion4 37 1 1 43 0.000 0.0 1 0.000 180.0 2 1.533 0.0 3 1826torsion4 1 1 2 1 0.000 0.0 1 0.030 180.0 2 0.900 0.0 3 1827torsion4 1 1 2 2 -0.700 0.0 1 0.240 180.0 2 0.060 0.0 3 1828torsion4 2 1 2 1 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3 1829torsion4 2 1 2 2 0.000 0.0 1 0.000 180.0 2 0.600 0.0 3 1830torsion4 1 1 3 1 0.550 0.0 1 -0.180 180.0 2 0.400 0.0 3 1831torsion4 1 1 3 6 0.100 0.0 1 0.000 180.0 2 1.500 0.0 3 1832torsion4 1 1 3 9 0.000 0.0 1 0.000 180.0 2 0.250 0.0 3 1833torsion4 1 1 6 1 0.130 0.0 1 0.000 180.0 2 1.500 0.0 3 1834torsion4 1 1 6 3 0.100 0.0 1 0.000 180.0 2 1.500 0.0 3 1835torsion4 1 1 8 1 -0.200 0.0 1 0.730 180.0 2 2.500 0.0 3 1836torsion4 1 1 9 3 0.000 0.0 1 0.000 180.0 2 0.250 0.0 3 1837torsion4 1 1 15 1 0.000 0.0 1 -0.100 180.0 2 1.100 0.0 3 1838torsion4 1 1 19 1 0.100 0.0 1 0.000 180.0 2 0.900 0.0 3 1839torsion4 1 1 22 22 0.200 0.0 1 0.270 180.0 2 1.533 0.0 3 1840torsion4 1 1 31 1 0.000 0.0 1 0.000 180.0 2 0.152 0.0 3 1841torsion4 1 1 37 37 0.000 0.0 1 0.000 180.0 2 0.060 0.0 3 1842torsion4 1 1 37 43 0.000 0.0 1 0.000 180.0 2 0.060 0.0 3 1843torsion4 1 1 39 1 -0.200 0.0 1 0.730 180.0 2 2.500 0.0 3 1844torsion4 1 2 2 1 -0.100 0.0 1 15.000 180.0 2 0.000 0.0 3 1845torsion4 2 2 2 2 -0.930 0.0 1 15.000 180.0 2 0.000 0.0 3 1846torsion4 1 3 6 1 -2.500 0.0 1 1.390 180.0 2 0.000 0.0 3 1847torsion4 1 3 9 1 0.000 0.0 1 0.000 180.0 2 0.250 0.0 3 1848torsion4 22 3 22 22 0.550 0.0 1 -0.180 180.0 2 0.400 0.0 3 1849torsion4 1 22 22 1 0.200 0.0 1 0.270 180.0 2 2.500 0.0 3 1850torsion4 1 22 22 22 0.200 0.0 1 0.270 180.0 2 1.533 0.0 3 1851torsion4 3 22 22 22 0.200 0.0 1 0.270 180.0 2 1.533 0.0 3 1852torsion4 22 22 22 22 6.070 0.0 1 0.000 180.0 2 -0.880 0.0 3 1853torsion4 1 37 37 1 -1.900 0.0 1 10.000 180.0 2 0.000 0.0 3 1854torsion4 1 37 43 1 -1.900 0.0 1 10.000 180.0 2 0.000 0.0 3 1855 1856 1857 ###################################### 1858 ## ## 1859 ## Torsional Parameters (Allenes) ## 1860 ## ## 1861 ###################################### 1862 1863 1864#torsion 1 2 2 1 0.000 0.0 1 -11.500 180.0 2 0.000 0.0 3 1865#torsion 1 2 2 5 0.000 0.0 1 -11.500 180.0 2 0.000 0.0 3 1866#torsion 5 2 2 5 0.050 0.0 1 -12.100 180.0 2 0.000 0.0 3 1867 1868 1869 ######################################## 1870 ## ## 1871 ## Atomic Partial Charge Parameters ## 1872 ## ## 1873 ######################################## 1874 1875 1876charge 16 1.000 1877charge 30 1.000 1878charge 39 1.000 1879charge 47 -0.500 1880 1881 1882 ##################################### 1883 ## ## 1884 ## Bond Dipole Moment Parameters ## 1885 ## ## 1886 ##################################### 1887 1888 1889dipole 1 2 0.300 0.500 1890dipole 1 3 0.300 0.500 1891dipole 1 4 0.750 0.500 1892dipole 1 6 0.440 0.500 1893dipole 1 8 0.040 0.500 1894dipole 1 9 1.470 0.500 1895dipole 1 11 1.820 0.500 1896dipole 1 12 1.940 0.500 1897dipole 1 13 1.790 0.500 1898dipole 1 14 1.300 0.500 1899dipole 1 15 1.200 0.500 1900dipole 1 16 1.200 0.500 1901dipole 1 17 1.200 0.500 1902dipole 1 18 1.200 0.500 1903dipole 1 19 -0.600 0.500 1904dipole 1 22 0.150 0.500 1905dipole 1 25 0.830 0.500 1906dipole 1 31 -0.550 0.500 1907dipole 1 32 -0.650 0.500 1908dipole 1 33 -0.500 0.500 1909dipole 1 34 -1.100 0.500 1910dipole 1 35 -1.000 0.500 1911dipole 1 37 1.260 0.500 1912dipole 1 38 0.300 0.500 1913dipole 1 41 0.220 0.500 1914dipole 1 43 1.260 0.500 1915dipole 1 46 1.350 0.500 1916dipole 1 50 0.300 0.500 1917dipole 1 70 1.900 0.500 1918dipole 1 71 0.300 0.500 1919dipole 1 72 1.260 0.500 1920dipole 2 6 0.001 0.500 1921dipole 2 8 -0.400 0.500 1922dipole 2 9 1.300 0.500 1923dipole 2 11 1.480 0.500 1924dipole 2 12 1.580 0.500 1925dipole 2 13 1.560 0.500 1926dipole 2 14 1.400 0.500 1927dipole 2 19 -0.650 0.500 1928dipole 2 22 -0.150 0.500 1929dipole 2 25 1.040 0.500 1930dipole 2 37 0.583 0.500 1931dipole 2 40 0.870 0.500 1932dipole 2 41 0.950 0.500 1933dipole 2 42 1.925 0.500 1934dipole 2 46 1.700 0.500 1935dipole 2 72 0.583 0.500 1936dipole 3 6 -0.200 0.500 1937dipole 3 7 2.600 0.500 1938dipole 3 9 -0.290 0.500 1939dipole 3 11 1.480 0.500 1940dipole 3 12 1.580 0.500 1941dipole 3 13 1.560 0.500 1942dipole 3 14 1.400 0.500 1943dipole 3 22 0.300 0.500 1944dipole 3 72 0.583 0.500 1945dipole 4 10 3.400 0.500 1946dipole 5 15 0.900 0.500 1947dipole 5 25 0.500 0.500 1948dipole 5 34 0.700 0.500 1949dipole 5 35 0.800 0.500 1950dipole 6 19 -0.400 0.500 1951dipole 6 20 0.900 0.500 1952dipole 6 21 -1.115 0.500 1953dipole 6 24 -0.700 0.500 1954dipole 6 25 0.970 0.500 1955dipole 6 28 -0.700 0.500 1956dipole 7 17 -3.030 0.500 1957dipole 7 18 -2.930 0.500 1958dipole 7 43 -2.600 0.500 1959dipole 7 46 -2.530 0.500 1960dipole 8 20 0.600 0.500 1961dipole 8 23 -0.760 0.500 1962dipole 9 18 0.800 0.500 1963dipole 9 28 -1.310 0.500 1964dipole 20 37 -0.600 0.500 1965dipole 20 41 -0.750 0.500 1966dipole 20 72 -0.600 0.500 1967dipole 22 46 1.700 0.500 1968dipole 23 37 0.600 0.500 1969dipole 23 40 0.550 0.500 1970dipole 23 72 0.600 0.500 1971dipole 28 41 0.700 0.500 1972dipole 37 40 0.300 0.500 1973dipole 70 71 -2.800 0.500 1974 1975 1976 ############################################## 1977 ## ## 1978 ## Bond Dipole Moment Parameters (3-Ring) ## 1979 ## ## 1980 ############################################## 1981 1982 1983dipole3 22 49 0.735 0.500 1984 1985 1986 ########################################### 1987 ## ## 1988 ## Conjugated Pisystem Atom Parameters ## 1989 ## ## 1990 ########################################### 1991 1992 1993piatom 2 1.0 -11.160 11.134 1994piatom 3 1.0 -11.160 11.134 1995piatom 4 1.0 -11.160 11.134 1996piatom 6 2.0 -17.600 19.342 1997piatom 7 1.0 -17.210 14.520 1998piatom 9 2.0 -13.145 17.210 1999piatom 10 1.0 -14.120 12.340 2000piatom 37 1.0 -14.120 12.340 2001piatom 40 2.0 -13.145 17.210 2002piatom 41 2.0 -17.600 19.342 2003piatom 42 2.0 -15.800 11.920 2004piatom 72 1.0 -14.120 12.340 2005 2006 2007 ########################################### 2008 ## ## 2009 ## Conjugated Pisystem Bond Parameters ## 2010 ## ## 2011 ########################################### 2012 2013 2014pibond 2 2 4.600 0.166 2015pibond 2 3 4.600 0.166 2016pibond 2 4 7.790 0.156 2017pibond 2 37 10.880 0.196 2018pibond 2 40 10.880 0.196 2019pibond 2 41 5.440 0.196 2020pibond 2 42 4.861 0.397 2021pibond 2 72 10.880 0.196 2022pibond 3 3 4.600 0.140 2023pibond 3 4 4.600 0.166 2024pibond 3 7 4.600 0.105 2025pibond 3 72 10.880 0.196 2026pibond 4 4 4.600 0.238 2027pibond 37 37 10.500 0.170 2028pibond 37 40 10.880 0.196 2029