%VERSION VERSION_STAMP = V0001.000 DATE = 05/18/20 12:44:10 %FLAG TITLE %FORMAT(20a4) default_name %FLAG POINTERS %FORMAT(10I8) 4862 15 2403 2513 5438 3411 11245 10816 0 0 26773 313 2513 3411 10816 67 160 196 34 0 0 0 0 0 0 0 0 0 24 0 0 %FLAG ATOM_NAME %FORMAT(20a4) N H1 H2 H3 CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 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CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB CG2 HG21 HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 CG ND1 CE1 HE1 NE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N H CA HA CB HB2 HB3 CG ND1 CE1 HE1 NE2 HE2 CD2 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4 7 4 3 6 3 7 3 10 4 10 7 6 3 2 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 7 4 7 4 3 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 10 7 6 3 2 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 7 4 7 4 3 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 7 4 7 4 3 7 3 10 4 12 7 12 5 4 9 7 4 5 3 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 12 7 11 5 4 8 6 5 3 3 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 7 4 7 4 3 7 3 10 4 10 7 6 3 2 1 7 3 10 4 12 7 11 5 4 8 6 5 3 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 14 7 15 9 8 3 2 1 7 5 4 3 2 1 1 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) LYS THR ILE LYS VAL PHE THR THR VAL ASP ASN THR ASN LEU HIE THR GLN LEU VAL ASP MET SER MET THR TYR GLY GLN GLN PHE GLY PRO THR TYR LEU ASP GLY ALA ASP VAL THR LYS ILE LYS PRO HIE VAL ASN HIE GLU GLY LYS THR PHE PHE VAL LEU PRO SER ASP ASP THR LEU ARG SER GLU ALA PHE GLU TYR TYR HIE THR LEU ASP GLU SER PHE LEU GLY ARG TYR MET SER ALA LEU ASN HIE THR LYS LYS TRP LYS PHE PRO GLN VAL GLY GLY LEU THR SER ILE LYS TRP ALA ASP ASN ASN CYM TYR LEU SER SER VAL LEU LEU ALA LEU GLN GLN LEU GLU VAL LYS PHE ASN ALA PRO ALA LEU GLN GLU ALA TYR TYR ARG ALA ARG ALA GLY ASP ALA ALA ASN PHE CYS ALA LEU ILE LEU ALA TYR SER ASN LYS THR VAL GLY GLU LEU GLY ASP VAL ARG GLU THR MET THR HIE LEU LEU GLN HIE ALA ASN LEU GLU SER ALA LYS ARG VAL LEU ASN VAL VAL CYM LYS HIE CYS GLY GLN LYS THR THR THR LEU THR GLY VAL GLU ALA VAL MET TYR MET GLY THR LEU SER TYR ASP ASN LEU LYS THR GLY VAL SER ILE PRO CYM VAL CYS GLY ARG ASP ALA THR GLN TYR LEU VAL GLN GLN GLU SER SER PHE VAL MET MET SER ALA PRO PRO ALA GLU TYR LYS LEU GLN GLN GLY THR PHE LEU CYS ALA ASN GLU TYR THR GLY ASN TYR GLN CYS GLY HIP TYR THR HIE ILE THR ALA LYS GLU THR LEU TYR ARG ILE ASP GLY ALA HIE LEU THR LYS MET SER GLU TYR LYS GLY PRO VAL THR ASP VAL PHE TYR LYS GLU THR SER TYR THR THR THR ILE ZN %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 25 39 58 80 96 116 130 144 160 172 186 200 214 233 250 264 281 300 316 328 345 356 373 387 408 415 432 449 469 476 490 504 525 544 556 563 573 585 601 615 637 656 678 692 709 725 739 756 771 778 800 814 834 854 870 889 903 914 926 938 952 971 995 1006 1021 1031 1051 1066 1087 1108 1125 1139 1158 1170 1185 1196 1216 1235 1242 1266 1287 1304 1315 1325 1344 1358 1375 1389 1411 1433 1457 1479 1499 1513 1530 1546 1553 1560 1579 1593 1604 1623 1645 1669 1679 1691 1705 1719 1729 1750 1769 1780 1791 1807 1826 1845 1855 1874 1891 1908 1927 1942 1958 1980 2000 2014 2024 2038 2048 2067 2084 2099 2109 2130 2151 2175 2185 2209 2219 2226 2238 2248 2258 2272 2292 2303 2313 2332 2351 2370 2380 2401 2412 2426 2448 2462 2478 2485 2500 2519 2526 2538 2554 2578 2593 2607 2624 2638 2655 2674 2693 2710 2727 2737 2751 2770 2785 2796 2806 2828 2852 2868 2887 2901 2917 2933 2943 2965 2982 2993 3000 3017 3039 3053 3067 3081 3100 3114 3121 3137 3152 3162 3178 3195 3216 3233 3240 3254 3273 3284 3305 3317 3331 3350 3372 3386 3393 3409 3420 3439 3453 3463 3479 3490 3497 3521 3533 3543 3557 3574 3595 3614 3630 3647 3664 3679 3690 3701 3721 3737 3754 3771 3782 3792 3806 3820 3830 3845 3866 3888 3907 3924 3941 3948 3962 3982 4001 4012 4022 4036 4051 4072 4086 4093 4107 4128 4145 4156 4163 4181 4202 4216 4233 4252 4266 4276 4298 4313 4327 4346 4367 4391 4410 4422 4429 4439 4456 4475 4489 4511 4528 4539 4554 4575 4597 4604 4618 4634 4648 4660 4676 4696 4717 4739 4754 4768 4779 4800 4814 4828 4842 4862 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.70000000E+02 4.90000000E+02 4.34000000E+02 3.40000000E+02 3.67000000E+02 3.40000000E+02 3.10000000E+02 3.40000000E+02 3.10000000E+02 3.17000000E+02 3.67000000E+02 5.53000000E+02 3.40000000E+02 3.40000000E+02 3.10000000E+02 3.20000000E+02 3.40000000E+02 3.10000000E+02 4.34000000E+02 3.37000000E+02 3.40000000E+02 3.10000000E+02 3.40000000E+02 3.10000000E+02 3.67000000E+02 4.69000000E+02 3.17000000E+02 3.10000000E+02 6.56000000E+02 3.17000000E+02 3.10000000E+02 3.17000000E+02 3.67000000E+02 4.34000000E+02 4.27000000E+02 3.67000000E+02 4.77000000E+02 4.88000000E+02 4.10000000E+02 5.18000000E+02 3.17000000E+02 3.10000000E+02 3.40000000E+02 2.27000000E+02 3.40000000E+02 2.27000000E+02 3.20000000E+02 4.50000000E+02 4.69000000E+02 3.10000000E+02 3.37000000E+02 4.34000000E+02 4.81000000E+02 3.40000000E+02 3.37000000E+02 4.69000000E+02 4.69000000E+02 4.47000000E+02 4.28000000E+02 5.46000000E+02 3.88000000E+02 3.17000000E+02 2.37000000E+02 2.74000000E+02 2.37000000E+02 4.22000000E+02 6.56000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.22900000E+00 1.33500000E+00 1.01000000E+00 1.09000000E+00 1.47100000E+00 1.09000000E+00 1.52600000E+00 1.09000000E+00 1.52600000E+00 1.52200000E+00 1.47100000E+00 9.60000000E-01 1.09000000E+00 1.09000000E+00 1.52600000E+00 1.41000000E+00 1.09000000E+00 1.52600000E+00 1.01000000E+00 1.44900000E+00 1.09000000E+00 1.52600000E+00 1.09000000E+00 1.52600000E+00 1.08000000E+00 1.40000000E+00 1.51000000E+00 1.52600000E+00 1.25000000E+00 1.52200000E+00 1.52600000E+00 1.52200000E+00 1.08000000E+00 1.01000000E+00 1.38100000E+00 1.08000000E+00 1.34300000E+00 1.33500000E+00 1.39400000E+00 1.37100000E+00 1.50400000E+00 1.52600000E+00 1.09000000E+00 1.81000000E+00 1.09000000E+00 1.81000000E+00 1.41000000E+00 1.36400000E+00 1.40900000E+00 1.52600000E+00 1.44900000E+00 1.01000000E+00 1.34000000E+00 1.09000000E+00 1.46300000E+00 1.40400000E+00 1.40000000E+00 1.41900000E+00 1.38000000E+00 1.35200000E+00 1.45900000E+00 1.49500000E+00 1.81000000E+00 1.33600000E+00 1.81000000E+00 1.38500000E+00 1.25000000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 8.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 8.00000000E+01 4.00000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 8.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 5.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 6.30000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 8.00000000E+01 4.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 6.30000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 8.00000000E+01 8.00000000E+01 5.00000000E+01 6.30000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 8.00000000E+01 3.50000000E+01 5.00000000E+01 8.00000000E+01 7.00000000E+01 6.30000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+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 6.30000000E+01 5.00000000E+01 6.30000000E+01 4.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 6.20000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.50000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 8.00000000E+01 6.30000000E+01 3.50000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 4.30000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 8.00000000E+01 7.00000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 2.14501057E+00 2.09439600E+00 2.12755727E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.10137732E+00 2.03505478E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.94080696E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.89368305E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.06018753E+00 1.91113635E+00 1.91462701E+00 1.92160833E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91462701E+00 1.91113635E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 1.93906163E+00 2.09439600E+00 1.91113635E+00 1.91113635E+00 1.98967620E+00 1.91462701E+00 2.19911580E+00 1.91113635E+00 1.93906163E+00 2.04203610E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 1.91462701E+00 2.09439600E+00 1.91113635E+00 2.10137732E+00 2.03505478E+00 1.93906163E+00 1.91113635E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.04203610E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 2.09439600E+00 2.09439600E+00 1.97396823E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.72613137E+00 1.91113635E+00 2.00189351E+00 1.91113635E+00 1.89368305E+00 1.91113635E+00 1.91113635E+00 2.09439600E+00 1.97222290E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 2.12755727E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.05948940E+00 1.91113635E+00 1.91113635E+00 1.91462701E+00 1.93906163E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 1.91113635E+00 2.06647072E+00 2.15024656E+00 1.91113635E+00 1.94080696E+00 2.09439600E+00 2.09439600E+00 2.14151991E+00 2.09439600E+00 2.09439600E+00 2.02807346E+00 2.14850123E+00 2.31779824E+00 1.82212452E+00 1.85703112E+00 1.94778828E+00 2.09439600E+00 1.89717371E+00 1.89891904E+00 2.35445017E+00 1.91113635E+00 2.18166250E+00 2.24449438E+00 2.01760148E+00 1.91113635E+00 1.91113635E+00 1.89542838E+00 1.91113635E+00 1.67551680E+00 1.89542838E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.19911580E+00 2.04203610E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 2.00000000E+00 2.50000000E+00 0.00000000E+00 1.80000000E+00 8.00000000E-01 0.00000000E+00 0.00000000E+00 2.70000000E-01 4.20000000E-01 1.55555556E-01 1.50000000E-01 1.60000000E-01 2.00000000E-01 2.00000000E-01 4.00000000E-01 2.00000000E-01 2.50000000E-01 1.80000000E-01 6.97000000E-01 1.19000000E-01 3.15000000E-01 1.56000000E-01 2.50000000E-01 0.00000000E+00 4.06000000E-01 2.89000000E-01 1.48000000E-01 1.12000000E-01 6.43000000E-01 7.90000000E-02 2.36000000E-01 4.80000000E-02 1.66666667E-01 8.00000000E-01 8.00000000E-02 6.00000000E-03 2.51000000E-01 1.30000000E-02 3.37000000E-01 2.16000000E-01 1.00000000E-03 6.74000000E-01 6.00000000E-03 9.50000000E-02 4.50000000E-01 1.58000000E+00 5.50000000E-01 1.62000000E-01 7.35000000E-01 1.13000000E-01 1.15000000E-01 2.02000000E-01 7.70000000E-02 1.07000000E-01 2.24000000E-01 4.47000000E-01 5.30000000E-02 2.30000000E-01 3.10000000E-01 1.44000000E-01 9.70000000E-02 3.62500000E+00 5.50000000E-02 4.69000000E-01 1.92000000E-01 1.20000000E-02 6.90000000E-02 4.80000000E-02 1.20000000E-02 2.90000000E-01 7.00000000E-03 4.24000000E-01 4.59000000E-01 5.80000000E-02 1.54000000E-01 7.69000000E-01 3.10000000E-02 2.15400000E+00 6.47000000E-01 8.90000000E-02 1.04600000E+00 3.03000000E-01 3.30000000E-02 1.07000000E-01 8.28000000E-01 4.85000000E-01 3.01000000E-01 8.00000000E-03 6.88000000E-01 2.97000000E-01 5.90000000E-02 7.06000000E-01 6.20000000E-01 1.44000000E-01 1.90000000E-01 3.79000000E-01 2.70000000E-02 1.42000000E-01 1.79000000E-01 9.80000000E-02 2.59000000E-01 7.30000000E-02 1.50000000E+00 2.32500000E+00 2.40000000E+00 5.37500000E+00 1.43000000E-01 2.44000000E-01 2.19000000E-01 2.50000000E-02 5.00000000E+00 6.90000000E-01 2.04000000E-01 7.40000000E-01 4.70000000E-02 3.06000000E-01 2.21000000E-01 4.21000000E-01 3.93000000E-01 1.45000000E-01 6.09000000E-01 8.45000000E-01 8.50000000E-02 4.20000000E-02 1.96000000E-01 8.30000000E-02 4.12000000E-01 1.38000000E-01 1.00000000E-01 1.84000000E-01 7.80000000E-02 3.33333333E-01 2.47000000E-01 4.42000000E-01 4.14000000E-01 5.70000000E-02 4.17000000E-01 2.45000000E-01 1.60000000E-02 2.80000000E-02 6.61000000E-01 2.18000000E-01 4.01000000E-01 1.29000000E-01 2.11000000E-01 4.44000000E-01 2.67000000E-01 7.00000000E-03 6.66000000E-01 2.46000000E-01 1.60000000E-01 8.83000000E-01 6.50000000E-02 2.00000000E+00 3.90000000E-01 6.40000000E-02 1.36700000E+00 2.22000000E-01 6.08000000E-01 5.60000000E-02 3.00000000E+00 3.50000000E+00 1.52500000E+00 6.52500000E+00 1.67500000E+00 1.70000000E-02 3.53000000E-01 2.34000000E-01 7.40000000E-02 3.65000000E-01 4.08000000E-01 8.19000000E-01 9.50000000E-02 7.90000000E-02 3.13000000E-01 3.10000000E-02 2.69000000E-01 3.37000000E-01 2.51000000E-01 7.50000000E-02 2.50000000E-01 9.20000000E-02 6.12000000E-01 2.52000000E-01 3.00000000E-02 1.54000000E-01 4.86000000E-01 3.30000000E-02 1.40000000E+00 1.60000000E-01 3.92000000E-01 6.86000000E-01 3.70000000E-02 1.05000000E+01 1.10000000E+00 1.00000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 1.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 3.00000000E+00 1.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 2.00000000E+00 4.00000000E+00 2.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) 0.00000000E+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 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+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 3.14159400E+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 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+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 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+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 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+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 3.14159400E+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 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+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 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 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+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 3.14159400E+00 0.00000000E+00 3.14159400E+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 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 %FLAG SCEE_SCALE_FACTOR %FORMAT(5E16.8) 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG SCNB_SCALE_FACTOR %FORMAT(5E16.8) 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+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 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) 9.44293233E+05 2.12601181E+03 1.39982777E-01 9.95480466E+05 2.56678134E+03 1.04308023E+06 2.01791425E+04 9.14716912E+00 2.27401052E+04 2.01823541E+02 8.96776989E+04 1.07193646E+02 9.71708117E+04 1.41077189E+03 7.51607703E+03 8.82619071E+05 2.27577561E+03 9.24822270E+05 2.01619733E+04 8.61541883E+04 8.19971662E+05 6.06829342E+05 1.02595236E+03 6.47841731E+05 1.12780457E+04 5.44261042E+04 5.74393458E+05 3.79876399E+05 6.20665997E+04 5.94667300E+01 6.78771368E+04 8.79040886E+02 4.98586848E+03 6.01816484E+04 3.69471530E+04 3.25969625E+03 7.44975864E+05 1.40467023E+03 7.91544157E+05 1.45985502E+04 6.82786631E+04 7.01803794E+05 4.71003287E+05 4.66922514E+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 7.91627154E+04 8.90987508E+01 8.59947003E+04 1.21014911E+03 6.55825601E+03 7.62451550E+04 4.77908183E+04 4.33325458E+03 6.00750218E+04 0.00000000E+00 5.71629601E+03 5.46147253E+04 4.90239937E+01 5.98885646E+04 7.50063100E+02 4.33325458E+03 5.30987710E+04 3.23283631E+04 2.82099197E+03 4.09427581E+04 0.00000000E+00 3.76169105E+03 2.43828624E+03 6.58473870E+04 6.63368273E+01 7.18621074E+04 9.55000044E+02 5.34045360E+03 6.37148278E+04 3.93690817E+04 3.50301067E+03 4.96707306E+04 0.00000000E+00 4.64559155E+03 3.03448006E+03 3.76169105E+03 2.01562190E+06 5.97860700E+03 2.09861767E+06 4.93469320E+04 2.02461849E+05 1.86068943E+06 1.32911052E+06 1.42791446E+05 1.61587928E+06 0.00000000E+00 1.79647996E+05 1.26338489E+05 1.50848032E+05 4.19430400E+06 1.83061655E+04 1.32519674E+01 2.02507018E+04 2.27286456E+02 1.39484532E+03 1.79548030E+04 1.06384364E+04 8.95477397E+02 1.35677246E+04 0.00000000E+00 1.20626431E+03 7.70831927E+02 9.66291681E+02 4.31103567E+04 2.40434464E+02 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 8.01323529E+02 2.09604198E+01 9.37598976E-02 7.36907417E+02 2.06278363E+01 6.75612247E+02 6.45756063E+01 7.57919667E-01 6.13981767E+01 3.56012899E+00 1.36131731E+02 2.59456373E+00 1.26919150E+02 9.41257003E+00 2.17257828E+01 6.53361429E+02 1.82891803E+01 5.99015525E+02 5.44372326E+01 1.12529845E+02 5.31102864E+02 6.77220874E+02 1.53505284E+01 6.26720080E+02 5.08951803E+01 1.11805549E+02 5.55666448E+02 5.64885984E+02 1.13252061E+02 1.93248820E+00 1.06076943E+02 7.42992380E+00 1.76949863E+01 9.40505980E+01 9.21192136E+01 1.43076527E+01 7.50714425E+02 1.79702257E+01 6.93079947E+02 5.79323581E+01 1.25287818E+02 6.14502845E+02 6.29300710E+02 1.03606917E+02 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 1.26451907E+02 2.33864085E+00 1.18043746E+02 8.61880722E+00 2.00642027E+01 1.04660679E+02 1.03580945E+02 1.63092814E+01 1.16187983E+02 0.00000000E+00 1.85196588E+01 1.05031585E+02 1.73473071E+00 9.85097219E+01 6.78541827E+00 1.63092814E+01 8.73413012E+01 8.51921330E+01 1.31591746E+01 9.59185913E+01 0.00000000E+00 1.50233639E+01 1.20953369E+01 1.15327881E+02 2.01792524E+00 1.07908863E+02 7.65648470E+00 1.81057616E+01 9.56748258E+01 9.40124296E+01 1.46638650E+01 1.05648788E+02 0.00000000E+00 1.66953734E+01 1.34932874E+01 1.50233639E+01 1.28923404E+03 3.87070358E+01 1.17824605E+03 1.11203892E+02 2.25248294E+02 1.04466382E+03 1.10369829E+03 1.89165096E+02 1.21753341E+03 0.00000000E+00 2.09772716E+02 1.75916126E+02 1.92224012E+02 2.04800000E+03 4.16546471E+01 6.17828061E-01 3.92398110E+01 2.55866971E+00 6.33855810E+00 3.47910448E+01 3.34769792E+01 5.07872578E+00 3.78240023E+01 0.00000000E+00 5.82769199E+00 4.65859760E+00 5.21590259E+00 7.03928174E+01 1.78226976E+00 %FLAG BONDS_INC_HYDROGEN 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13 14553 14556 21 14553 14559 21 14541 14544 13 14541 14547 13 14541 14550 13 14535 14538 23 14529 14532 17 14523 14526 19 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 66 69 1 66 72 2 45 54 5 36 45 7 27 36 7 18 27 7 12 18 9 12 66 10 0 12 11 108 111 1 108 114 2 84 90 15 84 102 16 78 84 18 78 108 10 72 78 20 165 168 1 165 171 2 144 153 22 126 132 15 126 144 24 120 126 18 120 165 10 114 120 20 231 234 1 231 237 2 210 219 5 201 210 7 192 201 7 183 192 7 177 183 9 177 231 10 171 177 20 279 282 1 279 285 2 249 255 15 249 267 15 243 249 18 243 279 10 237 243 20 339 342 1 339 345 2 327 333 26 321 327 26 315 321 26 309 315 26 306 309 26 306 333 26 297 306 27 291 297 28 291 339 10 285 291 20 381 384 1 381 387 2 357 363 15 357 375 16 351 357 18 351 381 10 345 351 20 423 426 1 423 429 2 399 405 15 399 417 16 393 399 18 393 423 10 387 393 20 471 474 1 471 477 2 441 447 15 441 459 15 435 441 18 435 471 10 429 435 20 507 510 1 507 513 2 498 501 29 498 504 29 489 498 30 483 489 31 483 507 10 477 483 20 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14508 29 14493 14511 14514 30 14490 14487 14493 31 14490 14487 14517 32 14487 14493 14496 33 14484 14481 14487 36 14481 14487 14490 37 14568 14562 14571 24 14565 14562 14568 24 14565 14562 14571 24 14559 14553 14562 40 14556 14553 14559 41 14556 14553 14562 40 14553 14562 14565 42 14553 14562 14568 42 14553 14562 14571 42 14547 14541 14550 24 14544 14541 14547 24 14544 14541 14550 24 14538 14535 14541 44 14538 14535 14553 45 14535 14541 14544 29 14535 14541 14547 29 14535 14541 14550 29 14535 14553 14556 46 14535 14553 14559 46 14532 14529 14535 31 14532 14529 14574 32 14529 14535 14538 48 14526 14523 14529 36 14523 14529 14532 37 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 69 66 72 1 66 72 78 3 36 45 54 11 27 36 45 12 18 12 66 13 18 27 36 12 12 18 27 17 12 66 69 18 12 66 72 19 0 12 18 22 0 12 66 23 111 108 114 1 108 114 120 3 90 84 102 25 84 78 108 28 78 84 90 34 78 84 102 35 78 108 111 18 78 108 114 19 72 78 84 38 72 78 108 39 168 165 171 1 165 171 177 3 132 126 144 43 126 120 165 28 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14130 54 14097 14091 14142 56 14097 14106 14109 57 14097 14106 14136 57 14091 14097 14106 60 14091 14142 14145 18 14091 14142 14148 19 14085 14091 14097 61 14085 14091 14142 39 14211 14208 14214 1 14208 14214 14220 3 14178 14187 14196 11 14169 14178 14187 12 14160 14154 14208 13 14160 14169 14178 12 14154 14160 14169 17 14154 14208 14211 18 14154 14208 14214 19 14148 14154 14160 51 14148 14154 14208 39 14256 14253 14259 1 14253 14259 14265 3 14247 14244 14250 62 14235 14244 14247 65 14235 14244 14250 65 14226 14220 14253 64 14226 14235 14244 119 14220 14226 14235 93 14220 14253 14256 18 14220 14253 14259 19 14214 14220 14226 69 14214 14220 14253 39 14298 14295 14301 1 14295 14301 14307 3 14277 14271 14289 25 14271 14265 14295 28 14265 14271 14277 34 14265 14271 14289 35 14265 14295 14298 18 14265 14295 14301 19 14259 14265 14271 38 14259 14265 14295 39 14331 14328 14334 1 14328 14334 14340 3 14313 14307 14328 64 14307 14313 14322 104 14307 14328 14331 18 14307 14328 14334 19 14301 14307 14313 69 14301 14307 14328 39 14394 14391 14397 1 14391 14397 14403 3 14373 14370 14379 105 14370 14379 14385 108 14364 14370 14373 105 14364 14370 14379 109 14358 14355 14385 54 14358 14364 14370 108 14355 14358 14364 54 14355 14385 14379 54 14346 14340 14391 56 14346 14355 14358 57 14346 14355 14385 57 14340 14346 14355 60 14340 14391 14394 18 14340 14391 14397 19 14334 14340 14346 61 14334 14340 14391 39 14436 14433 14439 1 14433 14439 14445 3 14415 14409 14427 25 14409 14403 14433 28 14403 14409 14415 34 14403 14409 14427 35 14403 14433 14436 18 14403 14433 14439 19 14397 14403 14409 38 14397 14403 14433 39 14478 14475 14481 1 14475 14481 14487 3 14457 14451 14469 25 14451 14445 14475 28 14445 14451 14457 34 14445 14451 14469 35 14445 14475 14478 18 14445 14475 14481 19 14439 14445 14451 38 14439 14445 14475 39 14520 14517 14523 1 14517 14523 14529 3 14499 14493 14511 25 14493 14487 14517 28 14487 14493 14499 34 14487 14493 14511 35 14487 14517 14520 18 14487 14517 14523 19 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10 3951 3948 3954 3960 10 3951 3948 3954 3963 10 3951 3948 3966 3969 34 3951 3948 -3966 3969 3 3951 3948 -3966 3969 35 3951 3948 3966 3972 3 3948 3966 3972 3975 2 3945 3942 3948 3951 3 3945 3942 3948 3954 3 3945 3942 3948 3966 3 3942 3948 3954 3957 10 3942 3948 3954 3960 10 3942 3948 3954 3963 10 4026 4023 4029 4032 1 4026 4023 -4029 4032 2 4023 4029 4035 4038 3 4008 3999 3993 4011 12 4005 3999 3993 4011 12 4002 3999 3993 4011 12 3999 3993 4011 4014 12 3999 3993 4011 4017 12 3999 3993 4011 4020 12 3996 3993 3999 4002 11 3996 3993 3999 4005 11 3996 3993 3999 4008 11 3996 3993 4011 4014 11 3996 3993 4011 4017 11 3996 3993 4011 4020 11 3990 3984 3978 4023 10 3990 3984 3993 3996 11 3990 3984 3993 3999 12 3990 3984 3993 4011 12 3987 3984 3978 4023 10 3987 3984 3993 3996 11 3987 3984 3993 3999 12 3987 3984 3993 4011 12 3984 3993 3999 4002 12 3984 3993 3999 4005 12 3984 3993 3999 4008 12 3984 3993 4011 4014 12 3984 3993 4011 4017 12 3984 3993 4011 4020 12 3981 3978 3984 3987 10 3981 3978 3984 3990 10 3981 3978 3984 3993 10 3981 3978 4023 4026 34 3981 3978 -4023 4026 3 3981 3978 -4023 4026 35 3981 3978 4023 4029 3 3978 3984 3993 3996 12 3978 4023 4029 4032 2 3975 3972 3978 3981 3 3975 3972 3978 3984 3 3975 3972 3978 4023 3 3972 3978 3984 3987 10 3972 3978 3984 3990 10 4068 4065 4071 4074 1 4068 4065 -4071 4074 2 4065 4071 4077 4080 3 4053 4050 4056 4059 1 4053 4050 -4056 4059 2 4053 4050 4056 4062 1 4053 4050 -4056 4062 2 4047 4041 4035 4065 10 4047 4041 4050 4053 34 4047 4041 -4050 4053 3 4047 4041 -4050 4053 35 4047 4041 4050 4056 3 4044 4041 4035 4065 10 4044 4041 4050 4053 34 4044 4041 -4050 4053 3 4044 4041 -4050 4053 35 4044 4041 4050 4056 3 4041 4050 4056 4059 2 4041 4050 4056 4062 2 4038 4035 4041 4044 10 4038 4035 4041 4047 10 4038 4035 4041 4050 10 4038 4035 4065 4068 34 4038 4035 -4065 4068 3 4038 4035 -4065 4068 35 4038 4035 4065 4071 3 4035 4065 4071 4074 2 4032 4029 4035 4038 3 4032 4029 4035 4041 3 4032 4029 4035 4065 3 4029 4035 4041 4044 10 4029 4035 4041 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4140 4134 -4152 4155 32 4137 4134 4128 4158 10 4137 4134 4140 4143 10 4137 4134 4140 4146 10 4137 4134 4140 4149 10 4137 4134 4152 4155 33 4131 4128 4134 4137 10 4131 4128 4134 4140 10 4131 4128 4134 4152 23 4131 4128 -4134 4152 24 4131 4128 4158 4161 34 4131 4128 -4158 4161 3 4131 4128 -4158 4161 35 4131 4128 4158 4164 3 4128 4134 4140 4143 12 4128 4134 4140 4146 12 4128 4134 4140 4149 12 4128 4134 4152 4155 36 4128 4134 -4152 4155 37 4128 4134 -4152 4155 31 4128 4134 -4152 4155 38 4128 4158 4164 4167 2 4125 4122 4128 4131 3 4125 4122 4128 4134 3 4125 4122 4128 4158 3 4122 4128 4134 4137 10 4227 4224 4230 4233 1 4227 4224 -4230 4233 2 4224 4230 4236 4239 3 4209 4203 4212 4215 10 4209 4203 4212 4218 10 4209 4203 4212 4221 10 4206 4203 4212 4215 10 4206 4203 4212 4218 10 4206 4203 4212 4221 10 4200 4194 4203 4206 10 4200 4194 4203 4209 10 4200 4194 4203 4212 10 4197 4194 4203 4206 10 4197 4194 4203 4209 10 4197 4194 4203 4212 10 4194 4203 4212 4215 10 4194 4203 4212 4218 10 4194 4203 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4260 4269 4275 10 4266 4260 4269 4278 10 4263 4260 4269 4272 10 4263 4260 4269 4275 10 4263 4260 4269 4278 10 4260 4269 4278 4281 10 4260 4269 4278 4284 10 4260 4269 4278 4287 10 4257 4251 4260 4263 11 4257 4251 4260 4266 11 4257 4251 4260 4269 12 4254 4251 4260 4263 11 4254 4251 4260 4266 11 4254 4251 4260 4269 12 4251 4260 4269 4272 10 4251 4260 4269 4275 10 4248 4242 4236 4290 10 4248 4242 4251 4254 11 4248 4242 4251 4257 11 4248 4242 4251 4260 12 4245 4242 4236 4290 10 4245 4242 4251 4254 11 4245 4242 4251 4257 11 4245 4242 4251 4260 12 4242 4251 4260 4263 12 4242 4251 4260 4266 12 4239 4236 4242 4245 10 4239 4236 4242 4248 10 4239 4236 4242 4251 10 4239 4236 4290 4293 34 4239 4236 -4290 4293 3 4239 4236 -4290 4293 35 4239 4236 4290 4296 3 4236 4242 4251 4254 12 4236 4242 4251 4257 12 4236 4290 4296 4299 2 4233 4230 4236 4239 3 4233 4230 4236 4242 3 4233 4230 4236 4290 3 4230 4236 4242 4245 10 4230 4236 4242 4248 10 4365 4362 4368 4371 1 4365 4362 -4368 4371 2 4362 4368 4374 4377 3 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10 11631 11625 11634 11643 10 11628 11625 11634 11637 10 11628 11625 11634 11640 10 11628 11625 11634 11643 10 11625 11634 11643 11646 10 11625 11634 11643 11649 10 11625 11634 11643 11652 10 11622 11616 11625 11628 11 11622 11616 11625 11631 11 11622 11616 11625 11634 12 11619 11616 11625 11628 11 11619 11616 11625 11631 11 11619 11616 11625 11634 12 11616 11625 11634 11637 10 11616 11625 11634 11640 10 11613 11607 11601 11655 10 11613 11607 11616 11619 11 11613 11607 11616 11622 11 11613 11607 11616 11625 12 11610 11607 11601 11655 10 11610 11607 11616 11619 11 11610 11607 11616 11622 11 11610 11607 11616 11625 12 11607 11616 11625 11628 12 11607 11616 11625 11631 12 11604 11601 11607 11610 10 11604 11601 11607 11613 10 11604 11601 11607 11616 10 11604 11601 11655 11658 34 11604 11601 -11655 11658 3 11604 11601 -11655 11658 35 11604 11601 11655 11661 3 11601 11607 11616 11619 12 11601 11607 11616 11622 12 11601 11655 11661 11664 2 11598 11595 11601 11604 3 11598 11595 11601 11607 3 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4656 4657 4658 4657 0 4659 4660 4661 4662 4663 4664 4674 4660 4661 4662 4661 4662 4663 4664 4665 4666 4670 4674 4675 4676 4662 4663 4664 4674 4663 4664 4665 4666 4667 4668 4669 4670 4671 4672 4673 4674 4675 4676 4677 4678 4664 4665 4666 4670 4674 4675 4676 4665 4666 4667 4668 4669 4670 4671 4672 4673 4674 4675 4676 4666 4667 4668 4669 4670 4671 4672 4673 4674 4667 4668 4669 4670 4671 4672 4673 4674 4668 4669 4670 4669 4670 4670 4671 4672 4673 4674 4672 4673 4673 0 4675 4676 4677 4678 4679 4680 4694 4676 4677 4678 4677 4678 4679 4680 4681 4682 4683 4694 4695 4696 4678 4679 4680 4694 4679 4680 4681 4682 4683 4684 4692 4694 4695 4696 4697 4698 4680 4681 4682 4683 4694 4695 4696 4681 4682 4683 4684 4685 4686 4690 4692 4693 4694 4695 4696 4682 4683 4684 4692 4694 4683 4684 4692 4694 4684 4685 4686 4687 4688 4690 4691 4692 4693 4694 4685 4686 4687 4688 4689 4690 4692 4693 4686 4687 4688 4692 4687 4688 4689 4690 4691 4692 4688 4689 4690 4689 4690 4691 4692 4693 4690 4691 4692 4691 4692 4693 4692 4693 4693 0 4695 4696 4697 4698 4699 4700 4715 4696 4697 4698 4697 4698 4699 4700 4701 4702 4703 4715 4716 4717 4698 4699 4700 4715 4699 4700 4701 4702 4703 4704 4713 4715 4716 4717 4718 4719 4700 4701 4702 4703 4715 4716 4717 4701 4702 4703 4704 4705 4706 4711 4713 4714 4715 4716 4717 4702 4703 4704 4713 4715 4703 4704 4713 4715 4704 4705 4706 4707 4708 4711 4712 4713 4714 4715 4705 4706 4707 4708 4709 4711 4713 4714 4706 4707 4708 4713 4707 4708 4709 4710 4711 4712 4713 4708 4709 4711 4709 4710 4711 4712 4713 4714 4710 4711 4712 4713 4711 4712 4713 4714 4713 4714 4714 0 4716 4717 4718 4719 4720 4721 4737 4717 4718 4719 4718 4719 4720 4721 4722 4723 4724 4737 4738 4739 4719 4720 4721 4737 4720 4721 4722 4723 4724 4725 4726 4727 4737 4738 4739 4740 4741 4721 4722 4723 4724 4737 4738 4739 4722 4723 4724 4725 4726 4727 4728 4729 4730 4737 4738 4739 4723 4724 4725 4726 4727 4737 4724 4725 4726 4727 4737 4725 4726 4727 4728 4729 4730 4731 4732 4733 4737 4726 4727 4728 4729 4730 4727 4728 4729 4730 4728 4729 4730 4731 4732 4733 4734 4735 4736 4729 4730 4731 4732 4733 4730 4731 4732 4733 4731 4732 4733 4734 4735 4736 4732 4733 4734 4735 4736 4733 4734 4735 4736 4734 4735 4736 4735 4736 4736 0 4738 4739 4740 4741 4742 4743 4752 4739 4740 4741 4740 4741 4742 4743 4744 4745 4746 4752 4753 4754 4741 4742 4743 4752 4742 4743 4744 4745 4746 4747 4748 4749 4752 4753 4754 4755 4756 4743 4744 4745 4746 4752 4753 4754 4744 4745 4746 4747 4748 4749 4750 4751 4752 4753 4754 4745 4746 4747 4748 4749 4752 4746 4747 4748 4749 4752 4747 4748 4749 4750 4751 4752 4748 4749 4750 4751 4749 4750 4751 4750 4751 4751 0 4753 4754 4755 4756 4757 4758 4766 4754 4755 4756 4755 4756 4757 4758 4759 4760 4764 4766 4767 4768 4756 4757 4758 4766 4757 4758 4759 4760 4761 4762 4763 4764 4765 4766 4767 4768 4769 4770 4758 4759 4760 4764 4766 4767 4768 4759 4760 4761 4762 4763 4764 4765 4766 4767 4768 4760 4761 4762 4763 4764 4765 4766 4761 4762 4763 4764 4765 4766 4762 4763 4764 4763 4764 4764 4765 4766 0 4767 4768 4769 4770 4771 4772 4777 4768 4769 4770 4769 4770 4771 4772 4773 4774 4775 4777 4778 4779 4770 4771 4772 4777 4771 4772 4773 4774 4775 4776 4777 4778 4779 4780 4781 4772 4773 4774 4775 4777 4778 4779 4773 4774 4775 4776 4777 4778 4779 4774 4775 4776 4777 4775 4776 4777 4776 4777 0 4778 4779 4780 4781 4782 4783 4798 4779 4780 4781 4780 4781 4782 4783 4784 4785 4786 4798 4799 4800 4781 4782 4783 4798 4782 4783 4784 4785 4786 4787 4796 4798 4799 4800 4801 4802 4783 4784 4785 4786 4798 4799 4800 4784 4785 4786 4787 4788 4789 4794 4796 4797 4798 4799 4800 4785 4786 4787 4796 4798 4786 4787 4796 4798 4787 4788 4789 4790 4791 4794 4795 4796 4797 4798 4788 4789 4790 4791 4792 4794 4796 4797 4789 4790 4791 4796 4790 4791 4792 4793 4794 4795 4796 4791 4792 4794 4792 4793 4794 4795 4796 4797 4793 4794 4795 4796 4794 4795 4796 4797 4796 4797 4797 0 4799 4800 4801 4802 4803 4804 4812 4800 4801 4802 4801 4802 4803 4804 4805 4806 4810 4812 4813 4814 4802 4803 4804 4812 4803 4804 4805 4806 4807 4808 4809 4810 4811 4812 4813 4814 4815 4816 4804 4805 4806 4810 4812 4813 4814 4805 4806 4807 4808 4809 4810 4811 4812 4813 4814 4806 4807 4808 4809 4810 4811 4812 4807 4808 4809 4810 4811 4812 4808 4809 4810 4809 4810 4810 4811 4812 0 4813 4814 4815 4816 4817 4818 4826 4814 4815 4816 4815 4816 4817 4818 4819 4820 4824 4826 4827 4828 4816 4817 4818 4826 4817 4818 4819 4820 4821 4822 4823 4824 4825 4826 4827 4828 4829 4830 4818 4819 4820 4824 4826 4827 4828 4819 4820 4821 4822 4823 4824 4825 4826 4827 4828 4820 4821 4822 4823 4824 4825 4826 4821 4822 4823 4824 4825 4826 4822 4823 4824 4823 4824 4824 4825 4826 0 4827 4828 4829 4830 4831 4832 4840 4828 4829 4830 4829 4830 4831 4832 4833 4834 4838 4840 4841 4842 4830 4831 4832 4840 4831 4832 4833 4834 4835 4836 4837 4838 4839 4840 4841 4842 4843 4844 4832 4833 4834 4838 4840 4841 4842 4833 4834 4835 4836 4837 4838 4839 4840 4841 4842 4834 4835 4836 4837 4838 4839 4840 4835 4836 4837 4838 4839 4840 4836 4837 4838 4837 4838 4838 4839 4840 0 4841 4842 4843 4844 4845 4846 4859 4842 4843 4844 4843 4844 4845 4846 4847 4848 4852 4859 4860 4861 4844 4845 4846 4859 4845 4846 4847 4848 4849 4850 4851 4852 4853 4854 4855 4859 4860 4861 4846 4847 4848 4852 4859 4860 4861 4847 4848 4849 4850 4851 4852 4853 4854 4855 4856 4857 4858 4859 4860 4861 4848 4849 4850 4851 4852 4853 4854 4855 4859 4849 4850 4851 4852 4853 4854 4855 4859 4850 4851 4852 4851 4852 4852 4853 4854 4855 4856 4857 4858 4859 4854 4855 4856 4857 4858 4855 4856 4857 4858 4856 4857 4858 4857 4858 4858 0 4860 4861 4861 0 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) %FLAG HBOND_BCOEF %FORMAT(5E16.8) %FLAG HBCUT %FORMAT(5E16.8) %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) N3 H H H CX HP C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 2C HC HC C O N H H C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 2C HC HC C O N H H C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 2C HC HC 2C H1 H1 S CT H1 H1 H1 C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 2C HC HC 2C H1 H1 S CT H1 H1 H1 C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 H1 C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 H1 C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 H1 C O N H CX H1 CT HC HC HC C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC C O N H H C O N H CX H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 H1 C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC HC C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 H1 C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 2C HC HC 2C H1 H1 S CT H1 H1 H1 C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 CT HC HC HC C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC C O N H H C O N H CX H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 CT HC HC C* CW H4 NA H CN CA HA CA HA CA HA CA HA CB C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 H1 C O N H CX H1 H1 C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 CT HC HC C* CW H4 NA H CN CA HA CA HA CA HA CA HA CB C O N H CX H1 CT HC HC HC C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 2C HC HC C O N H H C O N H CX H1 2C HC HC C O N H H C O N H CX H1 CT H1 H1 SH C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 CT HC HC HC C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 2C HC HC C O N H H C O N H CX H1 CT HC HC HC C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 CT HC HC HC C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC HC C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 CT HC HC HC C O N H CX H1 H1 C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC HC C O N H CX H1 CT HC HC HC C O N H CX H1 2C HC HC C O N H H C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 2C H1 H1 SH HS C O N H CX H1 CT HC HC HC C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 CT HC HC HC C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 2C HC HC C O N H H C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 H1 C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 H1 C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 2C HC HC 2C H1 H1 S CT H1 H1 H1 C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CX H1 CT HC HC HC C O N H CX H1 2C HC HC C O N H H C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC C O N H H C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 CT H1 H1 SH C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CX H1 2C H1 H1 SH HS C O N H CX H1 H1 C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 H1 C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC HC C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C H1 H1 S CT H1 H1 H1 C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 2C HC HC 2C H1 H1 S CT H1 H1 H1 C O N H CX H1 H1 C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 2C HC HC C O N H H C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 H1 C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 CT H1 H1 SH C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C H1 H1 SH HS C O N H CX H1 H1 C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC HC C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C H1 H1 S CT H1 H1 H1 C O N H CX H1 2C HC HC 2C H1 H1 S CT H1 H1 H1 C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 CT HC HC HC C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 H1 C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C H1 H1 SH HS C O N H CX H1 CT HC HC HC C O N H CX H1 2C HC HC C O N H H C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 H1 C O N H CX H1 2C HC HC C O N H H C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 2C H1 H1 SH HS C O N H CX H1 H1 C O N H CX H1 CT HC HC CC NA H CR H5 NA H CW H4 C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 H1 C O N H CX H1 CT HC HC HC C O N H CX H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 2C HC HC 2C H1 H1 S CT H1 H1 H1 C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 H1 C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O2 O2 Zn2+ %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 M E M E 3 E 3 E E E S E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E 3 E E E S E M E M E M E 3 E 3 E E E S E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E B E E M E M E M E 3 E E B E B E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E B E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E B E S E B E B E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E B E E M E M E M E 3 E E 3 E E S 3 E E E M E M E M E 3 E E S E M E M E M E 3 E E 3 E E S 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E B B E B E B E S E S E M E M E M E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E B E E M E M E M E E M E M E M E 3 E E E M E M E M E 3 E E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E B E S E B E B E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E B E B E E M E M E M E 3 E E B E S E B E B E M E M E M E 3 E E 3 E E B E E M E M E M E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E S E M E M E M E 3 E E B E E M E M E M E 3 E E B E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E E S E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E B E S E B E B E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E B E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E S E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E 3 E E S 3 E E E M E M E M E 3 E E S E M E M E M E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E B E B E E M E M E M E 3 E E B E S E B E B E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E B B E B E S B E B E B E S E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E B B E B E B E S E S E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E E M E M E M E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E S E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E B B E B E S B E B E B E S E E M E M E M E 3 E E E M E M E M E 3 E E B E E M E M E M E 3 E E B E B E E M E M E M E 3 E E B E B E E M E M E M E 3 E E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E S E M E M E M E 3 E E S E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E E B E B E E M E M E M E 3 E E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E E E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E E E M E M E M E E M E M E M E 3 E E B E E M E M E M E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E B E B E E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E E S E M E M E M E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E S E M E M E M E 3 E E B E B E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E 3 E E E 3 E E E M E M E M E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E E M E M E M E 3 E E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E 3 E E S 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E B E S E B E B E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E B E S E B E B E M E M E M E 3 E E E M E M E M E 3 E E B E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E S E M E M E M E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E B E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E B E S E B E B E M E M E M E 3 E E S E M E M E M E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E 3 E E E S E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E S 3 E E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E 3 E E S 3 E E E M E M E M E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E S E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E B E E M E M E M E 3 E E B E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E S E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E S E M E M E M E E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E E B E E M E M E M E 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E S E M E M E M E 3 E E S E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E S 3 E E E M E M E M E 3 E E 3 E E S 3 E E E M E M E M E 3 E E S E M E M E M E 3 E E E M E M 3 E E 3 E E B E E M E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E 3 E E B E B E E M E M E M E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E S E M E M E M E 3 E E E M E M E M E 3 E E B E B E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E 3 E E E S E M E M E M E E M E M E M E 3 E E B E B E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E S E M E M E M E E M E M E M E 3 E E B S E S E B E B E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E B E S E B E B E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E B E E M E M E M E E M E M E M E 3 E E E M E M E M E 3 E E B E S E B E B E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E S 3 E E E M E M E M E 3 E E S E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E S E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E 3 E E E S E M E M E M E 3 E 3 E E E S E M E M E M E 3 E 3 E E E S E M E BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 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 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