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12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 6 5 4 2 1 1 1 5 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 6 5 4 2 1 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 56 67 79 92 106 2 3 5 8 12 17 23 30 38 47 57 68 80 93 107 4 5 6 9 13 18 24 31 39 48 58 69 81 94 108 7 8 9 10 14 19 25 32 40 49 59 70 82 95 109 11 12 13 14 15 20 26 33 41 50 60 71 83 96 110 16 17 18 19 20 21 27 34 42 51 61 72 84 97 111 22 23 24 25 26 27 28 35 43 52 62 73 85 98 112 29 30 31 32 33 34 35 36 44 53 63 74 86 99 113 37 38 39 40 41 42 43 44 45 54 64 75 87 100 114 46 47 48 49 50 51 52 53 54 55 65 76 88 101 115 56 57 58 59 60 61 62 63 64 65 66 77 89 102 116 67 68 69 70 71 72 73 74 75 76 77 78 90 103 117 79 80 81 82 83 84 85 86 87 88 89 90 91 104 118 92 93 94 95 96 97 98 99 100 101 102 103 104 105 119 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 %FLAG RESIDUE_LABEL %FORMAT(20a4) FAM DA DA DA DA DA DA DA DA DA DA3 DT5 DT DT DT DT DT DT DT DT DT3 %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 58 90 122 154 186 218 250 282 314 346 379 409 441 473 505 537 569 601 633 665 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.70000000E+02 4.69000000E+02 4.69000000E+02 3.67000000E+02 6.56000000E+02 6.48000000E+02 3.72400000E+02 4.90000000E+02 4.34000000E+02 3.37000000E+02 3.40000000E+02 3.10000000E+02 3.40000000E+02 3.20000000E+02 2.30000000E+02 4.61000000E+02 3.67000000E+02 5.02000000E+02 4.34000000E+02 4.81000000E+02 4.83000000E+02 4.69000000E+02 5.20000000E+02 4.14000000E+02 3.67000000E+02 5.29000000E+02 4.40000000E+02 4.36000000E+02 3.40000000E+02 3.37000000E+02 5.25000000E+02 5.53000000E+02 3.20000000E+02 4.34000000E+02 4.18000000E+02 3.17000000E+02 4.10000000E+02 3.67000000E+02 5.49000000E+02 4.48000000E+02 4.24000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.22900000E+00 1.40900000E+00 1.40000000E+00 1.08000000E+00 1.25000000E+00 1.21400000E+00 1.37300000E+00 1.33500000E+00 1.01000000E+00 1.44900000E+00 1.09000000E+00 1.52600000E+00 1.09000000E+00 1.41000000E+00 1.61000000E+00 1.35400000E+00 1.08000000E+00 1.32400000E+00 1.01000000E+00 1.34000000E+00 1.33900000E+00 1.40400000E+00 1.37000000E+00 1.39100000E+00 1.08000000E+00 1.30400000E+00 1.37100000E+00 1.37400000E+00 1.09000000E+00 1.47500000E+00 1.48000000E+00 9.60000000E-01 1.41000000E+00 1.01000000E+00 1.38800000E+00 1.51000000E+00 1.44400000E+00 1.08000000E+00 1.35000000E+00 1.36500000E+00 1.38300000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 6.87000000E+01 6.30000000E+01 5.00000000E+01 6.30000000E+01 6.87000000E+01 8.00000000E+01 7.09000000E+01 6.98000000E+01 6.36000000E+01 6.94000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 4.00000000E+01 1.00000000E+02 5.00000000E+01 5.00000000E+01 1.00000000E+02 4.50000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 3.50000000E+01 7.00000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 6.00000000E+01 1.40000000E+02 5.00000000E+01 5.00000000E+01 5.50000000E+01 5.00000000E+01 8.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 8.00000000E+01 7.00000000E+01 7.00000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 2.15443535E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.15443535E+00 2.19911580E+00 2.15426082E+00 2.08043336E+00 2.07624457E+00 1.95529320E+00 2.14501057E+00 2.09439600E+00 2.12755727E+00 2.06018753E+00 1.91113635E+00 1.91113635E+00 1.91462701E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.10312265E+00 1.91113635E+00 1.91113635E+00 1.88897066E+00 1.79070858E+00 2.01498349E+00 1.93731630E+00 2.25322103E+00 2.09439600E+00 2.08217869E+00 2.04727209E+00 2.09439600E+00 2.06996138E+00 2.15548255E+00 2.04727209E+00 2.22878641E+00 2.31081692E+00 1.92684432E+00 2.14762857E+00 1.83957782E+00 1.81165254E+00 1.91113635E+00 2.14762857E+00 1.98793087E+00 1.85354046E+00 2.20260646E+00 1.91113635E+00 1.91113635E+00 2.24798504E+00 2.19562514E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.09265067E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 2.03854544E+00 2.10486798E+00 2.20609712E+00 2.08916001E+00 1.91113635E+00 2.18689849E+00 1.99142153E+00 2.08916001E+00 2.12232128E+00 2.08916001E+00 2.10661331E+00 2.07868803E+00 2.11533996E+00 2.01411082E+00 2.11010397E+00 2.11533996E+00 2.05250808E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 3.62500000E+00 2.50000000E+00 2.00000000E+00 0.00000000E+00 2.00000000E+00 4.00000000E-01 0.00000000E+00 1.55555556E-01 1.60000000E-01 1.50000000E-01 2.00000000E-01 2.50000000E-01 1.80000000E-01 3.83333333E-01 2.50000000E-01 1.20000000E+00 2.50000000E-01 0.00000000E+00 6.80000000E+00 3.50000000E+00 2.40000000E+00 4.80000000E+00 5.45000000E+00 4.15000000E+00 1.70000000E+00 1.00000000E+01 1.65000000E+00 2.55000000E+00 1.00000000E-01 3.83000000E-01 1.17500000E+00 1.44000000E-01 2.50000000E+00 6.50000000E-01 1.66666667E-01 1.35000000E+00 2.17500000E+00 1.85000000E+00 6.65000000E+00 1.45000000E+00 1.15000000E+00 3.80000000E-01 3.00000000E-01 1.05000000E+01 1.10000000E+00 1.00000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 2.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 1.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 %FLAG SOLTY %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG LENNARD_JONES_ACOEF %FORMAT(5E16.8) 8.19971662E+05 5.74393458E+05 3.79876399E+05 7.62451550E+04 4.77908183E+04 5.71629601E+03 5.57281136E+05 3.70622491E+05 4.68711055E+04 3.61397723E+05 8.82619071E+05 6.06829342E+05 7.91627154E+04 5.89818288E+05 9.44293233E+05 2.27577561E+03 1.02595236E+03 8.90987508E+01 1.03954408E+03 2.12601181E+03 1.39982777E-01 9.24822270E+05 6.47841731E+05 8.59947003E+04 6.28541240E+05 9.95480466E+05 2.56678134E+03 1.04308023E+06 6.01816484E+04 3.69471530E+04 4.33325458E+03 3.63097246E+04 6.20665997E+04 5.94667300E+01 6.78771368E+04 3.25969625E+03 8.61541883E+04 5.44261042E+04 6.55825601E+03 5.33379252E+04 8.96776989E+04 1.07193646E+02 9.71708117E+04 4.98586848E+03 7.51607703E+03 2.25370349E+06 1.64263766E+06 2.26202022E+05 1.58759528E+06 2.45746558E+06 8.41065839E+03 2.54188684E+06 1.81087383E+05 2.54238516E+05 6.02589390E+06 4.15766412E+04 2.47595516E+04 2.82099197E+03 2.44050579E+04 4.24594555E+04 3.20009193E+01 4.68930885E+04 2.09814978E+03 3.25969625E+03 1.27716552E+05 1.32801250E+03 5.30987710E+04 3.23283631E+04 3.76169105E+03 3.17965283E+04 5.46147253E+04 4.90239937E+01 5.98885646E+04 2.82099197E+03 4.33325458E+03 1.60682053E+05 1.80748014E+03 2.43828624E+03 7.01803794E+05 4.71003287E+05 6.00750218E+04 4.58874091E+05 7.44975864E+05 1.40467023E+03 7.91544157E+05 4.66922514E+04 6.82786631E+04 1.98683736E+06 3.15360051E+04 4.09427581E+04 5.81803229E+05 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.37148278E+04 3.93690817E+04 4.64559155E+03 3.86654993E+04 6.58473870E+04 6.63368273E+01 7.18621074E+04 3.50301067E+03 5.34045360E+03 1.90880272E+05 2.26273716E+03 3.03448006E+03 4.96707306E+04 0.00000000E+00 3.76169105E+03 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 5.31102864E+02 5.55666448E+02 5.64885984E+02 1.04660679E+02 1.03580945E+02 1.85196588E+01 5.19163331E+02 5.29252520E+02 9.73010751E+01 4.95732238E+02 6.53361429E+02 6.77220874E+02 1.26451907E+02 6.33305958E+02 8.01323529E+02 1.82891803E+01 1.53505284E+01 2.33864085E+00 1.46567808E+01 2.09604198E+01 9.37598976E-02 5.99015525E+02 6.26720080E+02 1.18043746E+02 5.85549272E+02 7.36907417E+02 2.06278363E+01 6.75612247E+02 9.40505980E+01 9.21192136E+01 1.63092814E+01 8.66220817E+01 1.13252061E+02 1.93248820E+00 1.06076943E+02 1.43076527E+01 1.12529845E+02 1.11805549E+02 2.00642027E+01 1.04986921E+02 1.36131731E+02 2.59456373E+00 1.26919150E+02 1.76949863E+01 2.17257828E+01 1.08732781E+03 1.16041466E+03 2.22617115E+02 1.08210555E+03 1.34630496E+03 4.34187588E+01 1.22636552E+03 2.01468199E+02 2.38716853E+02 2.19561270E+03 7.81725398E+01 7.54103785E+01 1.31591746E+01 7.10161395E+01 9.36708259E+01 1.41762397E+00 8.81685417E+01 1.14788417E+01 1.43076527E+01 1.69194406E+02 9.13231543E+00 8.73413012E+01 8.51921330E+01 1.50233639E+01 8.01410250E+01 1.05031585E+02 1.73473071E+00 9.85097219E+01 1.31591746E+01 1.63092814E+01 1.87626421E+02 1.05333009E+01 1.20953369E+01 6.14502845E+02 6.29300710E+02 1.16187983E+02 5.89183300E+02 7.50714425E+02 1.79702257E+01 6.93079947E+02 1.03606917E+02 1.25287818E+02 1.27682121E+03 8.51470647E+01 9.59185913E+01 6.99746810E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.56748258E+01 9.40124296E+01 1.66953734E+01 8.83744760E+01 1.15327881E+02 2.01792524E+00 1.07908863E+02 1.46638650E+01 1.81057616E+01 2.04498832E+02 1.17854122E+01 1.34932874E+01 1.05648788E+02 0.00000000E+00 1.50233639E+01 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 12 9 4 33 30 4 39 36 4 51 48 4 57 54 4 69 66 4 87 84 4 93 90 4 105 102 4 111 108 9 117 114 11 120 114 11 126 123 13 129 123 13 135 132 13 138 132 13 144 141 13 147 141 13 153 150 13 156 150 13 162 159 11 165 159 11 255 258 13 255 261 13 249 252 11 237 240 17 225 228 19 225 231 19 210 213 25 201 204 29 192 195 11 183 186 11 183 189 11 351 354 13 351 357 13 345 348 11 333 336 17 321 324 19 321 327 19 306 309 25 297 300 29 288 291 11 279 282 11 279 285 11 447 450 13 447 453 13 441 444 11 429 432 17 417 420 19 417 423 19 402 405 25 393 396 29 384 387 11 375 378 11 375 381 11 543 546 13 543 549 13 537 540 11 525 528 17 513 516 19 513 519 19 498 501 25 489 492 29 480 483 11 471 474 11 471 477 11 639 642 13 639 645 13 633 636 11 621 624 17 609 612 19 609 615 19 594 597 25 585 588 29 576 579 11 567 570 11 567 573 11 735 738 13 735 741 13 729 732 11 717 720 17 705 708 19 705 711 19 690 693 25 681 684 29 672 675 11 663 666 11 663 669 11 831 834 13 831 837 13 825 828 11 813 816 17 801 804 19 801 807 19 786 789 25 777 780 29 768 771 11 759 762 11 759 765 11 927 930 13 927 933 13 921 924 11 909 912 17 897 900 19 897 903 19 882 885 25 873 876 29 864 867 11 855 858 11 855 861 11 1023 1026 13 1023 1029 13 1017 1020 11 1005 1008 17 993 996 19 993 999 19 978 981 25 969 972 29 960 963 11 951 954 11 951 957 11 1128 1131 32 1119 1122 13 1119 1125 13 1113 1116 11 1101 1104 17 1089 1092 19 1089 1095 19 1074 1077 25 1065 1068 29 1056 1059 11 1047 1050 11 1047 1053 11 1212 1215 13 1212 1218 13 1206 1209 11 1194 1197 34 1176 1179 13 1176 1182 13 1176 1185 13 1167 1170 38 1158 1161 29 1149 1152 11 1140 1143 11 1140 1146 11 1134 1137 32 1308 1311 13 1308 1314 13 1302 1305 11 1290 1293 34 1272 1275 13 1272 1278 13 1272 1281 13 1263 1266 38 1254 1257 29 1245 1248 11 1236 1239 11 1236 1242 11 1404 1407 13 1404 1410 13 1398 1401 11 1386 1389 34 1368 1371 13 1368 1374 13 1368 1377 13 1359 1362 38 1350 1353 29 1341 1344 11 1332 1335 11 1332 1338 11 1500 1503 13 1500 1506 13 1494 1497 11 1482 1485 34 1464 1467 13 1464 1470 13 1464 1473 13 1455 1458 38 1446 1449 29 1437 1440 11 1428 1431 11 1428 1434 11 1596 1599 13 1596 1602 13 1590 1593 11 1578 1581 34 1560 1563 13 1560 1566 13 1560 1569 13 1551 1554 38 1542 1545 29 1533 1536 11 1524 1527 11 1524 1530 11 1692 1695 13 1692 1698 13 1686 1689 11 1674 1677 34 1656 1659 13 1656 1662 13 1656 1665 13 1647 1650 38 1638 1641 29 1629 1632 11 1620 1623 11 1620 1626 11 1788 1791 13 1788 1794 13 1782 1785 11 1770 1773 34 1752 1755 13 1752 1758 13 1752 1761 13 1743 1746 38 1734 1737 29 1725 1728 11 1716 1719 11 1716 1722 11 1884 1887 13 1884 1890 13 1878 1881 11 1866 1869 34 1848 1851 13 1848 1854 13 1848 1857 13 1839 1842 38 1830 1833 29 1821 1824 11 1812 1815 11 1812 1818 11 1980 1983 13 1980 1986 13 1974 1977 11 1962 1965 34 1944 1947 13 1944 1950 13 1944 1953 13 1935 1938 38 1926 1929 29 1917 1920 11 1908 1911 11 1908 1914 11 2085 2088 32 2076 2079 13 2076 2082 13 2070 2073 11 2058 2061 34 2040 2043 13 2040 2046 13 2040 2049 13 2031 2034 38 2022 2025 29 2013 2016 11 2004 2007 11 2004 2010 11 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 3 0 1 6 0 2 9 6 3 15 9 3 18 15 2 21 18 5 24 18 5 27 15 3 30 27 3 36 6 3 36 30 3 42 27 3 45 42 3 48 45 3 54 48 3 60 54 3 63 60 6 66 60 3 72 45 3 72 66 3 75 72 7 78 75 7 81 42 3 81 78 3 84 81 3 90 84 3 96 90 3 99 96 6 102 78 3 102 96 3 108 0 8 114 108 10 123 114 12 132 123 12 141 132 12 150 141 12 159 150 12 168 159 14 168 171 15 264 267 15 249 255 12 249 264 14 243 246 16 237 243 18 234 237 18 222 225 20 222 234 21 219 222 22 219 246 23 216 219 24 210 216 26 207 210 27 207 246 28 201 207 30 201 255 12 198 201 14 192 198 14 192 249 12 183 192 12 180 183 14 171 174 31 171 177 31 171 180 15 360 363 15 345 351 12 345 360 14 339 342 16 333 339 18 330 333 18 318 321 20 318 330 21 315 318 22 315 342 23 312 315 24 306 312 26 303 306 27 303 342 28 297 303 30 297 351 12 294 297 14 288 294 14 288 345 12 279 288 12 276 279 14 267 270 31 267 273 31 267 276 15 456 459 15 441 447 12 441 456 14 435 438 16 429 435 18 426 429 18 414 417 20 414 426 21 411 414 22 411 438 23 408 411 24 402 408 26 399 402 27 399 438 28 393 399 30 393 447 12 390 393 14 384 390 14 384 441 12 375 384 12 372 375 14 363 366 31 363 369 31 363 372 15 552 555 15 537 543 12 537 552 14 531 534 16 525 531 18 522 525 18 510 513 20 510 522 21 507 510 22 507 534 23 504 507 24 498 504 26 495 498 27 495 534 28 489 495 30 489 543 12 486 489 14 480 486 14 480 537 12 471 480 12 468 471 14 459 462 31 459 465 31 459 468 15 648 651 15 633 639 12 633 648 14 627 630 16 621 627 18 618 621 18 606 609 20 606 618 21 603 606 22 603 630 23 600 603 24 594 600 26 591 594 27 591 630 28 585 591 30 585 639 12 582 585 14 576 582 14 576 633 12 567 576 12 564 567 14 555 558 31 555 561 31 555 564 15 744 747 15 729 735 12 729 744 14 723 726 16 717 723 18 714 717 18 702 705 20 702 714 21 699 702 22 699 726 23 696 699 24 690 696 26 687 690 27 687 726 28 681 687 30 681 735 12 678 681 14 672 678 14 672 729 12 663 672 12 660 663 14 651 654 31 651 657 31 651 660 15 840 843 15 825 831 12 825 840 14 819 822 16 813 819 18 810 813 18 798 801 20 798 810 21 795 798 22 795 822 23 792 795 24 786 792 26 783 786 27 783 822 28 777 783 30 777 831 12 774 777 14 768 774 14 768 825 12 759 768 12 756 759 14 747 750 31 747 753 31 747 756 15 936 939 15 921 927 12 921 936 14 915 918 16 909 915 18 906 909 18 894 897 20 894 906 21 891 894 22 891 918 23 888 891 24 882 888 26 879 882 27 879 918 28 873 879 30 873 927 12 870 873 14 864 870 14 864 921 12 855 864 12 852 855 14 843 846 31 843 849 31 843 852 15 1032 1035 15 1017 1023 12 1017 1032 14 1011 1014 16 1005 1011 18 1002 1005 18 990 993 20 990 1002 21 987 990 22 987 1014 23 984 987 24 978 984 26 975 978 27 975 1014 28 969 975 30 969 1023 12 966 969 14 960 966 14 960 1017 12 951 960 12 948 951 14 939 942 31 939 945 31 939 948 15 1113 1119 12 1113 1128 33 1107 1110 16 1101 1107 18 1098 1101 18 1086 1089 20 1086 1098 21 1083 1086 22 1083 1110 23 1080 1083 24 1074 1080 26 1071 1074 27 1071 1110 28 1065 1071 30 1065 1119 12 1062 1065 14 1056 1062 14 1056 1113 12 1047 1056 12 1044 1047 14 1035 1038 31 1035 1041 31 1035 1044 15 1221 1224 15 1206 1212 12 1206 1221 14 1200 1203 1 1194 1200 35 1188 1191 1 1188 1194 35 1173 1176 36 1173 1188 37 1167 1173 39 1164 1167 40 1164 1200 41 1158 1164 30 1158 1212 12 1155 1158 14 1149 1155 14 1149 1206 12 1140 1149 12 1137 1140 33 1317 1320 15 1302 1308 12 1302 1317 14 1296 1299 1 1290 1296 35 1284 1287 1 1284 1290 35 1269 1272 36 1269 1284 37 1263 1269 39 1260 1263 40 1260 1296 41 1254 1260 30 1254 1308 12 1251 1254 14 1245 1251 14 1245 1302 12 1236 1245 12 1233 1236 14 1224 1227 31 1224 1230 31 1224 1233 15 1413 1416 15 1398 1404 12 1398 1413 14 1392 1395 1 1386 1392 35 1380 1383 1 1380 1386 35 1365 1368 36 1365 1380 37 1359 1365 39 1356 1359 40 1356 1392 41 1350 1356 30 1350 1404 12 1347 1350 14 1341 1347 14 1341 1398 12 1332 1341 12 1329 1332 14 1320 1323 31 1320 1326 31 1320 1329 15 1509 1512 15 1494 1500 12 1494 1509 14 1488 1491 1 1482 1488 35 1476 1479 1 1476 1482 35 1461 1464 36 1461 1476 37 1455 1461 39 1452 1455 40 1452 1488 41 1446 1452 30 1446 1500 12 1443 1446 14 1437 1443 14 1437 1494 12 1428 1437 12 1425 1428 14 1416 1419 31 1416 1422 31 1416 1425 15 1605 1608 15 1590 1596 12 1590 1605 14 1584 1587 1 1578 1584 35 1572 1575 1 1572 1578 35 1557 1560 36 1557 1572 37 1551 1557 39 1548 1551 40 1548 1584 41 1542 1548 30 1542 1596 12 1539 1542 14 1533 1539 14 1533 1590 12 1524 1533 12 1521 1524 14 1512 1515 31 1512 1518 31 1512 1521 15 1701 1704 15 1686 1692 12 1686 1701 14 1680 1683 1 1674 1680 35 1668 1671 1 1668 1674 35 1653 1656 36 1653 1668 37 1647 1653 39 1644 1647 40 1644 1680 41 1638 1644 30 1638 1692 12 1635 1638 14 1629 1635 14 1629 1686 12 1620 1629 12 1617 1620 14 1608 1611 31 1608 1614 31 1608 1617 15 1797 1800 15 1782 1788 12 1782 1797 14 1776 1779 1 1770 1776 35 1764 1767 1 1764 1770 35 1749 1752 36 1749 1764 37 1743 1749 39 1740 1743 40 1740 1776 41 1734 1740 30 1734 1788 12 1731 1734 14 1725 1731 14 1725 1782 12 1716 1725 12 1713 1716 14 1704 1707 31 1704 1710 31 1704 1713 15 1893 1896 15 1878 1884 12 1878 1893 14 1872 1875 1 1866 1872 35 1860 1863 1 1860 1866 35 1845 1848 36 1845 1860 37 1839 1845 39 1836 1839 40 1836 1872 41 1830 1836 30 1830 1884 12 1827 1830 14 1821 1827 14 1821 1878 12 1812 1821 12 1809 1812 14 1800 1803 31 1800 1806 31 1800 1809 15 1989 1992 15 1974 1980 12 1974 1989 14 1968 1971 1 1962 1968 35 1956 1959 1 1956 1962 35 1941 1944 36 1941 1956 37 1935 1941 39 1932 1935 40 1932 1968 41 1926 1932 30 1926 1980 12 1923 1926 14 1917 1923 14 1917 1974 12 1908 1917 12 1905 1908 14 1896 1899 31 1896 1902 31 1896 1905 15 2070 2076 12 2070 2085 33 2064 2067 1 2058 2064 35 2052 2055 1 2052 2058 35 2037 2040 36 2037 2052 37 2031 2037 39 2028 2031 40 2028 2064 41 2022 2028 30 2022 2076 12 2019 2022 14 2013 2019 14 2013 2070 12 2004 2013 12 2001 2004 14 1992 1995 31 1992 1998 31 1992 2001 15 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 12 9 6 3 15 9 12 3 33 30 27 3 36 30 33 3 39 36 6 3 39 36 30 3 51 48 45 3 54 48 51 3 57 54 48 3 60 54 57 3 69 66 60 3 72 66 69 3 87 84 81 3 90 84 87 3 93 90 84 3 96 90 93 3 105 102 78 3 105 102 96 3 111 108 0 12 114 108 111 14 117 114 108 15 120 114 108 15 120 114 117 16 123 114 117 18 123 114 120 18 126 123 114 19 129 123 114 19 129 123 126 20 132 123 126 19 132 123 129 19 135 132 123 19 138 132 123 19 138 132 135 20 141 132 135 19 141 132 138 19 144 141 132 19 147 141 132 19 147 141 144 20 150 141 144 19 150 141 147 19 153 150 141 19 156 150 141 19 156 150 153 20 159 150 153 19 159 150 156 19 162 159 150 18 165 159 150 18 165 159 162 16 168 159 162 24 168 159 165 24 258 255 261 20 252 249 255 18 252 249 264 24 249 255 258 19 249 255 261 19 240 237 243 27 234 237 240 27 228 225 231 30 222 225 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684 681 687 48 684 681 735 49 681 735 738 19 681 735 741 19 678 681 684 52 675 672 678 24 675 672 729 18 672 729 732 18 669 663 672 18 666 663 669 16 666 663 672 18 663 672 675 18 660 663 666 24 660 663 669 24 834 831 837 20 828 825 831 18 828 825 840 24 825 831 834 19 825 831 837 19 816 813 819 27 810 813 816 27 804 801 807 30 798 801 804 33 798 801 807 33 789 786 792 40 783 786 789 44 780 777 783 48 780 777 831 49 777 831 834 19 777 831 837 19 774 777 780 52 771 768 774 24 771 768 825 18 768 825 828 18 765 759 768 18 762 759 765 16 762 759 768 18 759 768 771 18 756 759 762 24 756 759 765 24 930 927 933 20 924 921 927 18 924 921 936 24 921 927 930 19 921 927 933 19 912 909 915 27 906 909 912 27 900 897 903 30 894 897 900 33 894 897 903 33 885 882 888 40 879 882 885 44 876 873 879 48 876 873 927 49 873 927 930 19 873 927 933 19 870 873 876 52 867 864 870 24 867 864 921 18 864 921 924 18 861 855 864 18 858 855 861 16 858 855 864 18 855 864 867 18 852 855 858 24 852 855 861 24 1026 1023 1029 20 1020 1017 1023 18 1020 1017 1032 24 1017 1023 1026 19 1017 1023 1029 19 1008 1005 1011 27 1002 1005 1008 27 996 993 999 30 990 993 996 33 990 993 999 33 981 978 984 40 975 978 981 44 972 969 975 48 972 969 1023 49 969 1023 1026 19 969 1023 1029 19 966 969 972 52 963 960 966 24 963 960 1017 18 960 1017 1020 18 957 951 960 18 954 951 957 16 954 951 960 18 951 960 963 18 948 951 954 24 948 951 957 24 1122 1119 1125 20 1116 1113 1119 18 1116 1113 1128 57 1113 1119 1122 19 1113 1119 1125 19 1113 1128 1131 58 1104 1101 1107 27 1098 1101 1104 27 1092 1089 1095 30 1086 1089 1092 33 1086 1089 1095 33 1077 1074 1080 40 1071 1074 1077 44 1068 1065 1071 48 1068 1065 1119 49 1065 1119 1122 19 1065 1119 1125 19 1062 1065 1068 52 1059 1056 1062 24 1059 1056 1113 18 1056 1113 1116 18 1053 1047 1056 18 1050 1047 1053 16 1050 1047 1056 18 1047 1056 1059 18 1044 1047 1050 24 1044 1047 1053 24 1215 1212 1218 20 1209 1206 1212 18 1209 1206 1221 24 1206 1212 1215 19 1206 1212 1218 19 1197 1194 1200 59 1188 1194 1197 59 1182 1176 1185 20 1179 1176 1182 20 1179 1176 1185 20 1173 1176 1179 63 1173 1176 1182 63 1173 1176 1185 63 1170 1167 1173 66 1164 1167 1170 70 1161 1158 1164 48 1161 1158 1212 49 1158 1212 1215 19 1158 1212 1218 19 1155 1158 1161 52 1152 1149 1155 24 1152 1149 1206 18 1149 1206 1209 18 1146 1140 1149 18 1143 1140 1146 16 1143 1140 1149 18 1140 1149 1152 18 1137 1140 1143 57 1137 1140 1146 57 1134 1137 1140 58 1311 1308 1314 20 1305 1302 1308 18 1305 1302 1317 24 1302 1308 1311 19 1302 1308 1314 19 1293 1290 1296 59 1284 1290 1293 59 1278 1272 1281 20 1275 1272 1278 20 1275 1272 1281 20 1269 1272 1275 63 1269 1272 1278 63 1269 1272 1281 63 1266 1263 1269 66 1260 1263 1266 70 1257 1254 1260 48 1257 1254 1308 49 1254 1308 1311 19 1254 1308 1314 19 1251 1254 1257 52 1248 1245 1251 24 1248 1245 1302 18 1245 1302 1305 18 1242 1236 1245 18 1239 1236 1242 16 1239 1236 1245 18 1236 1245 1248 18 1233 1236 1239 24 1233 1236 1242 24 1407 1404 1410 20 1401 1398 1404 18 1401 1398 1413 24 1398 1404 1407 19 1398 1404 1410 19 1389 1386 1392 59 1380 1386 1389 59 1374 1368 1377 20 1371 1368 1374 20 1371 1368 1377 20 1365 1368 1371 63 1365 1368 1374 63 1365 1368 1377 63 1362 1359 1365 66 1356 1359 1362 70 1353 1350 1356 48 1353 1350 1404 49 1350 1404 1407 19 1350 1404 1410 19 1347 1350 1353 52 1344 1341 1347 24 1344 1341 1398 18 1341 1398 1401 18 1338 1332 1341 18 1335 1332 1338 16 1335 1332 1341 18 1332 1341 1344 18 1329 1332 1335 24 1329 1332 1338 24 1503 1500 1506 20 1497 1494 1500 18 1497 1494 1509 24 1494 1500 1503 19 1494 1500 1506 19 1485 1482 1488 59 1476 1482 1485 59 1470 1464 1473 20 1467 1464 1470 20 1467 1464 1473 20 1461 1464 1467 63 1461 1464 1470 63 1461 1464 1473 63 1458 1455 1461 66 1452 1455 1458 70 1449 1446 1452 48 1449 1446 1500 49 1446 1500 1503 19 1446 1500 1506 19 1443 1446 1449 52 1440 1437 1443 24 1440 1437 1494 18 1437 1494 1497 18 1434 1428 1437 18 1431 1428 1434 16 1431 1428 1437 18 1428 1437 1440 18 1425 1428 1431 24 1425 1428 1434 24 1599 1596 1602 20 1593 1590 1596 18 1593 1590 1605 24 1590 1596 1599 19 1590 1596 1602 19 1581 1578 1584 59 1572 1578 1581 59 1566 1560 1569 20 1563 1560 1566 20 1563 1560 1569 20 1557 1560 1563 63 1557 1560 1566 63 1557 1560 1569 63 1554 1551 1557 66 1548 1551 1554 70 1545 1542 1548 48 1545 1542 1596 49 1542 1596 1599 19 1542 1596 1602 19 1539 1542 1545 52 1536 1533 1539 24 1536 1533 1590 18 1533 1590 1593 18 1530 1524 1533 18 1527 1524 1530 16 1527 1524 1533 18 1524 1533 1536 18 1521 1524 1527 24 1521 1524 1530 24 1695 1692 1698 20 1689 1686 1692 18 1689 1686 1701 24 1686 1692 1695 19 1686 1692 1698 19 1677 1674 1680 59 1668 1674 1677 59 1662 1656 1665 20 1659 1656 1662 20 1659 1656 1665 20 1653 1656 1659 63 1653 1656 1662 63 1653 1656 1665 63 1650 1647 1653 66 1644 1647 1650 70 1641 1638 1644 48 1641 1638 1692 49 1638 1692 1695 19 1638 1692 1698 19 1635 1638 1641 52 1632 1629 1635 24 1632 1629 1686 18 1629 1686 1689 18 1626 1620 1629 18 1623 1620 1626 16 1623 1620 1629 18 1620 1629 1632 18 1617 1620 1623 24 1617 1620 1626 24 1791 1788 1794 20 1785 1782 1788 18 1785 1782 1797 24 1782 1788 1791 19 1782 1788 1794 19 1773 1770 1776 59 1764 1770 1773 59 1758 1752 1761 20 1755 1752 1758 20 1755 1752 1761 20 1749 1752 1755 63 1749 1752 1758 63 1749 1752 1761 63 1746 1743 1749 66 1740 1743 1746 70 1737 1734 1740 48 1737 1734 1788 49 1734 1788 1791 19 1734 1788 1794 19 1731 1734 1737 52 1728 1725 1731 24 1728 1725 1782 18 1725 1782 1785 18 1722 1716 1725 18 1719 1716 1722 16 1719 1716 1725 18 1716 1725 1728 18 1713 1716 1719 24 1713 1716 1722 24 1887 1884 1890 20 1881 1878 1884 18 1881 1878 1893 24 1878 1884 1887 19 1878 1884 1890 19 1869 1866 1872 59 1860 1866 1869 59 1854 1848 1857 20 1851 1848 1854 20 1851 1848 1857 20 1845 1848 1851 63 1845 1848 1854 63 1845 1848 1857 63 1842 1839 1845 66 1836 1839 1842 70 1833 1830 1836 48 1833 1830 1884 49 1830 1884 1887 19 1830 1884 1890 19 1827 1830 1833 52 1824 1821 1827 24 1824 1821 1878 18 1821 1878 1881 18 1818 1812 1821 18 1815 1812 1818 16 1815 1812 1821 18 1812 1821 1824 18 1809 1812 1815 24 1809 1812 1818 24 1983 1980 1986 20 1977 1974 1980 18 1977 1974 1989 24 1974 1980 1983 19 1974 1980 1986 19 1965 1962 1968 59 1956 1962 1965 59 1950 1944 1953 20 1947 1944 1950 20 1947 1944 1953 20 1941 1944 1947 63 1941 1944 1950 63 1941 1944 1953 63 1938 1935 1941 66 1932 1935 1938 70 1929 1926 1932 48 1929 1926 1980 49 1926 1980 1983 19 1926 1980 1986 19 1923 1926 1929 52 1920 1917 1923 24 1920 1917 1974 18 1917 1974 1977 18 1914 1908 1917 18 1911 1908 1914 16 1911 1908 1917 18 1908 1917 1920 18 1905 1908 1911 24 1905 1908 1914 24 2079 2076 2082 20 2073 2070 2076 18 2073 2070 2085 57 2070 2076 2079 19 2070 2076 2082 19 2070 2085 2088 58 2061 2058 2064 59 2052 2058 2061 59 2046 2040 2049 20 2043 2040 2046 20 2043 2040 2049 20 2037 2040 2043 63 2037 2040 2046 63 2037 2040 2049 63 2034 2031 2037 66 2028 2031 2034 70 2025 2022 2028 48 2025 2022 2076 49 2022 2076 2079 19 2022 2076 2082 19 2019 2022 2025 52 2016 2013 2019 24 2016 2013 2070 18 2013 2070 2073 18 2010 2004 2013 18 2007 2004 2010 16 2007 2004 2013 18 2004 2013 2016 18 2001 2004 2007 24 2001 2004 2010 24 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 6 0 3 1 9 6 0 2 15 9 6 4 18 15 9 2 21 18 15 5 24 18 15 5 24 18 21 6 27 15 9 4 27 15 18 2 30 27 15 4 30 36 6 4 36 6 0 2 36 6 9 4 36 30 27 4 42 27 15 4 42 27 30 4 45 42 27 4 48 45 42 4 54 48 45 4 60 54 48 4 63 60 54 7 66 60 54 4 66 60 63 7 66 72 45 4 72 45 42 4 72 45 48 4 72 66 60 4 75 72 45 8 75 72 66 8 78 75 72 9 78 81 42 4 81 42 27 4 81 42 45 4 81 78 75 8 84 81 42 4 84 81 78 4 90 84 81 4 96 90 84 4 96 102 78 4 99 96 90 7 102 78 75 8 102 78 81 4 102 96 90 4 102 96 99 7 108 0 6 10 108 0 3 11 114 108 0 13 123 114 108 17 132 123 114 21 141 132 123 21 150 141 132 21 159 150 141 21 159 168 171 22 168 159 150 23 168 171 174 25 168 171 177 25 168 171 180 26 264 267 270 25 264 267 273 25 264 267 276 26 255 249 264 23 249 264 267 22 237 243 246 28 234 237 243 29 225 222 234 31 222 219 246 32 222 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672 729 23 678 681 687 53 678 681 735 23 672 678 681 54 672 729 735 21 672 729 744 23 663 672 678 23 663 672 729 21 660 663 672 23 657 651 660 25 654 651 657 55 654 651 660 25 651 660 663 22 840 843 846 25 840 843 849 25 840 843 852 26 831 825 840 23 825 840 843 22 813 819 822 28 810 813 819 29 801 798 810 31 798 795 822 32 798 810 813 34 795 798 801 35 795 798 810 36 795 822 819 37 792 795 798 38 792 795 822 39 786 783 822 41 786 792 795 42 783 777 831 43 783 786 792 45 783 822 795 46 783 822 819 47 777 783 786 50 777 783 822 51 777 831 825 21 774 768 825 23 774 777 783 53 774 777 831 23 768 774 777 54 768 825 831 21 768 825 840 23 759 768 774 23 759 768 825 21 756 759 768 23 753 747 756 25 750 747 753 55 750 747 756 25 747 756 759 22 936 939 942 25 936 939 945 25 936 939 948 26 927 921 936 23 921 936 939 22 909 915 918 28 906 909 915 29 897 894 906 31 894 891 918 32 894 906 909 34 891 894 897 35 891 894 906 36 891 918 915 37 888 891 894 38 888 891 918 39 882 879 918 41 882 888 891 42 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CT HC HC HC C O NA H C O CT H1 CT HC HC OH HO %FLAG TREE_CHAIN_CLASSIFICATION %FORMAT(20a4) BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M M M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M %FLAG JOIN_ARRAY %FORMAT(10I8) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 %FLAG IROTAT %FORMAT(10I8) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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1.30000000E+00 1.70000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.50000000E+00 1.85000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.55000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.50000000E+00 1.85000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.55000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.50000000E+00 1.85000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.55000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.50000000E+00 1.85000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.55000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.50000000E+00 8.00000000E-01 %FLAG SCREEN %FORMAT(5E16.8) 7.20000000E-01 8.50000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.00000000E-01 7.20000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.60000000E-01 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