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4 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 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 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 8 5 4 3 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 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 13 7 11 6 5 6 4 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 15 6 5 10 8 7 3 2 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 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 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 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 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 8 4 3 6 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 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 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 12 7 12 5 4 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7 10 5 4 5 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 12 7 12 5 4 9 7 4 5 3 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 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 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 7 4 7 4 3 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 11 7 7 4 3 2 1 7 3 10 4 11 7 7 4 3 2 1 7 3 7 4 7 4 3 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 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 13 7 11 6 5 6 4 3 2 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 14 7 10 7 6 3 2 1 2 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 12 9 8 3 2 1 4 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 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 12 7 12 5 4 11 7 4 7 3 8 7 4 6 3 4 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 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 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 13 7 10 6 5 8 3 2 4 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 9 7 7 4 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 8 4 8 5 4 7 4 3 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 7 4 7 4 3 7 3 5 4 3 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 56 67 79 92 106 121 137 2 3 5 8 12 17 23 30 38 47 57 68 80 93 107 122 138 4 5 6 9 13 18 24 31 39 48 58 69 81 94 108 123 139 7 8 9 10 14 19 25 32 40 49 59 70 82 95 109 124 140 11 12 13 14 15 20 26 33 41 50 60 71 83 96 110 125 141 16 17 18 19 20 21 27 34 42 51 61 72 84 97 111 126 142 22 23 24 25 26 27 28 35 43 52 62 73 85 98 112 127 143 29 30 31 32 33 34 35 36 44 53 63 74 86 99 113 128 144 37 38 39 40 41 42 43 44 45 54 64 75 87 100 114 129 145 46 47 48 49 50 51 52 53 54 55 65 76 88 101 115 130 146 56 57 58 59 60 61 62 63 64 65 66 77 89 102 116 131 147 67 68 69 70 71 72 73 74 75 76 77 78 90 103 117 132 148 79 80 81 82 83 84 85 86 87 88 89 90 91 104 118 133 149 92 93 94 95 96 97 98 99 100 101 102 103 104 105 119 134 150 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 135 151 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 -1 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 -1 153 %FLAG RESIDUE_LABEL %FORMAT(20a4) ILE ILE GLY GLY ARG GLU SER ARG PRO HIP SER ARG PRO TYR MET ALA TYR LEU GLN ILE GLN SER PRO ALA GLY GLN SER ARG CYX GLY GLY PHE LEU VAL ARG GLU ASP PHE VAL LEU THR ALA ALA HID CYX TRP GLY SER ASN ILE ASN VAL THR LEU GLY ALA HIP ASN ILE GLN ARG ARG GLU ASN THR GLN GLN HIP ILE THR ALA ARG ARG ALA ILE ARG HIP PRO GLN TYR ASN GLN ARG THR ILE GLN ASN ASP ILE MET LEU LEU GLN LEU SER ARG ARG VAL ARG ARG ASN ARG ASN VAL ASN PRO VAL ALA LEU PRO ARG ALA GLN GLU GLY LEU ARG PRO GLY THR LEU CYX THR VAL ALA GLY TRP GLY ARG VAL SER MET ARG ARG GLY THR ASP THR LEU ARG GLU VAL GLN LEU ARG VAL GLN ARG ASP ARG GLN CYX LEU ARG ILE PHE GLY SER TYR ASP PRO ARG ARG GLN ILE CYX VAL GLY ASP ARG ARG GLU ARG LYS ALA ALA PHE LYS GLY ASP SER GLY GLY PRO LEU LEU CYX ASN ASN VAL ALA HIP GLY ILE VAL SER TYR GLY LYS SER SER GLY VAL PRO PRO GLU VAL PHE THR ARG VAL SER SER PHE LEU PRO TRP ILE ARG THR THR MET ARG SER Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- SIN VAL PRO GLY NME WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 22 41 48 55 79 94 105 129 143 161 172 196 210 231 248 258 279 298 315 334 351 362 376 386 393 410 421 445 455 462 469 489 508 524 548 563 575 595 611 630 644 654 664 681 691 715 722 733 747 766 780 796 810 829 836 846 864 878 897 914 938 962 977 991 1005 1022 1039 1057 1076 1090 1100 1124 1148 1158 1177 1201 1219 1233 1250 1271 1285 1302 1326 1340 1359 1376 1390 1402 1421 1438 1457 1476 1493 1512 1523 1547 1571 1587 1611 1635 1649 1673 1687 1703 1717 1731 1747 1757 1776 1790 1814 1824 1841 1856 1863 1882 1906 1920 1927 1941 1960 1970 1984 2000 2010 2017 2041 2048 2072 2088 2099 2116 2140 2164 2171 2185 2197 2211 2230 2254 2269 2285 2302 2321 2345 2361 2378 2402 2414 2438 2455 2465 2484 2508 2527 2547 2554 2565 2586 2598 2612 2636 2660 2677 2696 2706 2722 2729 2741 2765 2789 2804 2828 2850 2860 2870 2890 2912 2919 2931 2942 2949 2956 2970 2989 3008 3018 3032 3046 3062 3072 3090 3097 3116 3132 3143 3164 3171 3193 3204 3215 3222 3238 3252 3266 3281 3297 3317 3331 3355 3371 3382 3393 3413 3432 3446 3470 3489 3513 3527 3541 3558 3582 3594 3595 3596 3597 3598 3599 3600 3601 3602 3603 3604 3605 3606 3607 3608 3609 3610 3611 3612 3613 3614 3615 3616 3617 3618 3619 3620 3621 3622 3633 3649 3663 3670 3676 3679 3682 3685 3688 3691 3694 3697 3700 3703 3706 3709 3712 3715 3718 3721 3724 3727 3730 3733 3736 3739 3742 3745 3748 3751 3754 3757 3760 3763 3766 3769 3772 3775 3778 3781 3784 3787 3790 3793 3796 3799 3802 3805 3808 3811 3814 3817 3820 3823 3826 3829 3832 3835 3838 3841 3844 3847 3850 3853 3856 3859 3862 3865 3868 3871 3874 3877 3880 3883 3886 3889 3892 3895 3898 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.53000000E+02 5.53000000E+02 4.10200000E+02 3.30600000E+02 3.37300000E+02 3.03100000E+02 3.20000000E+02 5.53000000E+02 3.28300000E+02 6.48000000E+02 3.37300000E+02 3.37000000E+02 4.34000000E+02 4.81000000E+02 4.78200000E+02 6.48000000E+02 2.27000000E+02 3.17000000E+02 5.46000000E+02 3.67000000E+02 4.27000000E+02 4.34000000E+02 4.28000000E+02 4.69000000E+02 3.67000000E+02 4.69000000E+02 3.88000000E+02 4.47000000E+02 4.69000000E+02 3.17000000E+02 3.40000000E+02 3.40000000E+02 3.67000000E+02 4.34000000E+02 4.69000000E+02 4.50000000E+02 3.17000000E+02 4.22000000E+02 4.77000000E+02 3.67000000E+02 5.18000000E+02 1.66000000E+02 4.88000000E+02 5.12000000E+02 4.10000000E+02 3.67000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.51360000E+00 9.57200000E-01 1.00900000E+00 1.46000000E+00 1.09200000E+00 1.53500000E+00 1.41000000E+00 9.60000000E-01 1.50800000E+00 1.21400000E+00 1.09200000E+00 1.46300000E+00 1.01000000E+00 1.34000000E+00 1.34500000E+00 1.21400000E+00 1.81000000E+00 1.49500000E+00 1.35200000E+00 1.08000000E+00 1.38100000E+00 1.01000000E+00 1.38000000E+00 1.40000000E+00 1.08000000E+00 1.40000000E+00 1.45900000E+00 1.41900000E+00 1.40400000E+00 1.51000000E+00 1.09000000E+00 1.09000000E+00 1.47100000E+00 1.01000000E+00 1.40900000E+00 1.36400000E+00 1.50400000E+00 1.38500000E+00 1.34300000E+00 1.08000000E+00 1.37100000E+00 2.03800000E+00 1.33500000E+00 1.37500000E+00 1.39400000E+00 1.08000000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 4.60000000E+01 4.98000000E+01 8.00000000E+01 5.00000000E+01 3.94000000E+01 5.00000000E+01 5.00000000E+01 5.50000000E+01 6.30000000E+01 5.00000000E+01 6.38000000E+01 6.80000000E+01 7.91000000E+01 6.79000000E+01 4.64000000E+01 3.94000000E+01 4.00000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 3.50000000E+01 4.92000000E+01 6.39000000E+01 6.80000000E+01 7.58000000E+01 5.00000000E+01 5.00000000E+01 6.20000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 6.30000000E+01 7.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 6.30000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 4.72000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 3.50000000E+01 6.80000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 2.03819637E+00 1.91113635E+00 1.91462701E+00 1.91113635E+00 1.89106506E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 1.92160833E+00 1.91113635E+00 1.92911325E+00 2.14867576E+00 2.22232869E+00 2.00974750E+00 1.92073567E+00 1.89106506E+00 1.91113635E+00 1.94080696E+00 1.91113635E+00 2.06647072E+00 2.15024656E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.06751792E+00 2.11795796E+00 2.14867576E+00 2.12982620E+00 2.00189351E+00 1.91113635E+00 1.72613137E+00 2.01760148E+00 1.91113635E+00 2.18166250E+00 2.09439600E+00 1.89717371E+00 2.09439600E+00 2.09439600E+00 1.94778828E+00 2.14850123E+00 1.89891904E+00 2.31779824E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.35445017E+00 2.02807346E+00 2.24449438E+00 1.85703112E+00 1.82212452E+00 2.14151991E+00 2.09439600E+00 2.09439600E+00 2.05948940E+00 1.98967620E+00 1.91113635E+00 2.09439600E+00 1.91427794E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.97222290E+00 2.09439600E+00 1.97396823E+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 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.80990721E+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 1.94080696E+00 1.91113635E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 0.00000000E+00 1.55555556E-01 2.50000000E-01 1.60000000E-01 1.66666667E-01 0.00000000E+00 6.83900000E-01 1.45370000E+00 4.61500000E-01 2.50000000E+00 1.56000000E-01 2.00000000E-01 2.50000000E-01 1.80000000E-01 0.00000000E+00 2.40000000E+00 3.53700000E-01 8.83600000E-01 2.27000000E-01 1.01590000E+00 3.45100000E-01 2.25900000E-01 8.00000000E-01 8.00000000E-02 3.33333333E-01 6.52500000E+00 3.00000000E+00 1.50000000E+00 1.67500000E+00 1.52500000E+00 3.62500000E+00 3.50000000E+00 1.06070000E+00 1.10000000E-02 4.57500000E-01 1.25580000E+00 2.30000000E+00 1.40000000E+00 2.32500000E+00 5.37500000E+00 3.50000000E+00 6.00000000E-01 5.15000000E+00 5.00000000E+00 1.10000000E+00 1.05000000E+01 1.00000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 2.00000000E+00 3.00000000E+00 1.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 3.00000000E+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 1.00000000E+00 2.00000000E+00 1.00000000E+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 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) 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 3.14159400E+00 0.00000000E+00 0.00000000E+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 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 0.00000000E+00 0.00000000E+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 3.14159400E+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 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 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 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 3.03448006E+03 3.76169105E+03 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 3.76169105E+03 4.64559155E+03 5.71629601E+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 1.26338489E+05 1.50848032E+05 1.79647996E+05 4.19430400E+06 5.12352597E+06 2.77722031E+04 5.18582370E+06 1.69812017E+05 5.83905316E+05 4.59788720E+06 3.58116470E+06 4.29482520E+05 4.25926634E+06 0.00000000E+00 3.84653799E+05 4.49451656E+05 5.24119086E+05 1.00614432E+07 2.11214333E+07 7.42364908E+05 1.52094041E+03 7.85890042E+05 1.51483906E+04 6.91773368E+04 6.96790708E+05 4.72934643E+05 4.75728872E+04 5.82511344E+05 0.00000000E+00 4.17832254E+04 5.05435913E+04 6.09592309E+04 1.59822324E+06 4.14211473E+06 5.81935564E+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 0.00000000E+00 0.00000000E+00 0.00000000E+00 %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 1.05031585E+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 1.20953369E+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 1.34932874E+01 1.50233639E+01 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 1.50233639E+01 1.66953734E+01 1.85196588E+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 1.75916126E+02 1.92224012E+02 2.09772716E+02 2.04800000E+03 1.63465722E+03 6.63452866E+01 1.47296762E+03 1.64054867E+02 3.04211847E+02 1.30597170E+03 1.44077766E+03 2.60902148E+02 1.57202276E+03 0.00000000E+00 2.44111266E+02 2.63872604E+02 2.84949434E+02 2.52258111E+03 2.90664297E+03 6.90894667E+02 1.72393904E+01 6.36687196E+02 5.44062826E+01 1.16264660E+02 5.64503554E+02 5.81361517E+02 9.64152120E+01 6.45512297E+02 0.00000000E+00 8.93335697E+01 9.82532117E+01 1.07902982E+02 1.11633519E+03 1.42922944E+03 5.94825035E+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 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 11697 11694 1 11691 11694 2 11691 11697 2 11688 11685 1 11682 11685 2 11682 11688 2 11679 11676 1 11673 11676 2 11673 11679 2 11670 11667 1 11664 11667 2 11664 11670 2 11661 11658 1 11655 11658 2 11655 11661 2 11652 11649 1 11646 11649 2 11646 11652 2 11643 11640 1 11637 11640 2 11637 11643 2 11634 11631 1 11628 11631 2 11628 11634 2 11625 11622 1 11619 11622 2 11619 11625 2 11616 11613 1 11610 11613 2 11610 11616 2 11607 11604 1 11601 11604 2 11601 11607 2 11598 11595 1 11592 11595 2 11592 11598 2 11589 11586 1 11583 11586 2 11583 11589 2 11580 11577 1 11574 11577 2 11574 11580 2 11571 11568 1 11565 11568 2 11565 11571 2 11562 11559 1 11556 11559 2 11556 11562 2 11553 11550 1 11547 11550 2 11547 11553 2 11544 11541 1 11538 11541 2 11538 11544 2 11535 11532 1 11529 11532 2 11529 11535 2 11526 11523 1 11520 11523 2 11520 11526 2 11517 11514 1 11511 11514 2 11511 11517 2 11508 11505 1 11502 11505 2 11502 11508 2 11499 11496 1 11493 11496 2 11493 11499 2 11490 11487 1 11484 11487 2 11484 11490 2 11481 11478 1 11475 11478 2 11475 11481 2 11472 11469 1 11466 11469 2 11466 11472 2 11463 11460 1 11457 11460 2 11457 11463 2 11454 11451 1 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4323 11 4335 4332 11 4341 4338 11 4344 4338 11 4347 4338 11 4353 4350 11 4356 4350 11 4359 4350 11 4263 4260 3 4269 4266 5 4275 4272 11 4278 4272 11 4284 4281 5 4287 4281 5 4296 4293 5 4299 4293 5 4302 4293 5 4206 4203 3 4212 4209 5 4218 4215 11 4224 4221 11 4227 4221 11 4230 4221 11 4236 4233 11 4239 4233 11 4245 4242 11 4248 4242 11 4251 4242 11 4170 4167 3 4176 4173 5 4182 4179 11 4185 4179 11 4128 4125 3 4134 4131 5 4140 4137 11 4143 4137 11 4155 4152 3 4158 4152 3 4077 4074 3 4083 4080 5 4089 4086 11 4092 4086 11 4098 4095 11 4101 4095 11 4113 4110 3 4116 4110 3 4020 4017 3 4026 4023 5 4032 4029 11 4038 4035 11 4041 4035 11 4044 4035 11 4050 4047 11 4053 4047 11 4059 4056 11 4062 4056 11 4065 4056 11 3978 3975 3 3984 3981 5 3990 3987 5 3996 3993 11 3999 3993 11 4002 3993 11 4008 4005 8 3906 3903 3 3912 3909 5 3918 3915 11 3921 3915 11 3927 3924 11 3930 3924 11 3936 3933 5 3939 3933 5 3945 3942 13 3954 3951 13 3957 3951 13 3963 3960 13 3966 3960 13 3855 3852 3 3861 3858 5 3867 3864 11 3870 3864 11 3876 3873 11 3879 3873 11 3891 3888 3 3894 3888 3 3813 3810 3 3819 3816 5 3825 3822 11 3828 3822 11 3840 3837 3 3843 3837 3 3750 3747 3 3756 3753 5 3762 3759 11 3765 3759 11 3774 3771 25 3780 3777 25 3789 3786 8 3795 3792 25 3801 3798 25 3699 3696 3 3705 3702 5 3711 3708 11 3714 3708 11 3720 3717 11 3723 3717 11 3735 3732 3 3738 3732 3 3660 3657 5 3663 3657 5 3669 3666 11 3672 3666 11 3678 3675 11 3681 3675 11 3687 3684 5 3603 3600 3 3609 3606 5 3615 3612 11 3618 3612 11 3627 3624 22 3633 3630 40 3639 3636 22 3645 3642 20 3531 3528 3 3537 3534 5 3543 3540 11 3546 3540 11 3552 3549 11 3555 3549 11 3561 3558 5 3564 3558 5 3570 3567 13 3579 3576 13 3582 3576 13 3588 3585 13 3591 3585 13 3474 3471 3 3480 3477 5 3486 3483 11 3492 3489 11 3495 3489 11 3498 3489 11 3504 3501 11 3507 3501 11 3513 3510 11 3516 3510 11 3519 3510 11 3444 3441 3 3450 3447 5 3456 3453 11 3459 3453 11 3462 3453 11 3372 3369 3 3378 3375 5 3384 3381 11 3387 3381 11 3393 3390 11 3396 3390 11 3402 3399 5 3405 3399 5 3411 3408 13 3420 3417 13 3423 3417 13 3429 3426 13 3432 3426 13 3300 3297 3 3306 3303 5 3312 3309 11 3315 3309 11 3321 3318 11 3324 3318 11 3330 3327 5 3333 3327 5 3339 3336 13 3348 3345 13 3351 3345 13 3357 3354 13 3360 3354 13 3270 3267 3 3276 3273 5 3282 3279 11 3285 3279 11 3288 3279 11 3228 3225 3 3234 3231 5 3240 3237 5 3246 3243 11 3249 3243 11 3252 3243 11 3258 3255 8 3171 3168 3 3177 3174 5 3183 3180 11 3189 3186 11 3192 3186 11 3195 3186 11 3201 3198 11 3204 3198 11 3210 3207 11 3213 3207 11 3216 3207 11 3117 3114 3 3123 3120 5 3129 3126 11 3132 3126 11 3141 3138 22 3147 3144 40 3153 3150 22 3159 3156 20 3066 3063 3 3072 3069 5 3078 3075 11 3081 3075 11 3087 3084 11 3090 3084 11 3102 3099 3 3105 3099 3 3015 3012 3 3021 3018 5 3027 3024 11 3030 3024 11 3036 3033 11 3039 3033 11 3051 3048 3 3054 3048 3 2973 2970 3 2979 2976 5 2985 2982 5 2991 2988 11 2994 2988 11 2997 2988 11 3003 3000 8 2931 2928 3 2937 2934 5 2943 2940 11 2946 2940 11 2958 2955 3 2961 2955 3 2886 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966 960 11 969 960 11 975 972 11 978 972 11 984 981 11 987 981 11 990 981 11 894 891 3 900 897 5 906 903 11 909 903 11 915 912 11 918 912 11 930 927 3 933 927 3 837 834 3 843 840 5 849 846 11 852 846 11 858 855 11 864 861 11 867 861 11 870 861 11 876 873 11 879 873 11 882 873 11 774 771 3 780 777 5 786 783 11 789 783 11 798 795 25 804 801 25 813 810 8 819 816 25 825 822 25 744 741 3 750 747 5 756 753 11 759 753 11 762 753 11 693 690 3 699 696 5 705 702 11 708 702 11 714 711 5 717 711 5 726 723 5 729 723 5 732 723 5 630 627 3 636 633 5 642 639 11 645 639 11 654 651 25 660 657 25 669 666 8 675 672 25 681 678 25 591 588 5 594 588 5 600 597 11 603 597 11 609 606 11 612 606 11 618 615 5 516 513 3 522 519 5 528 525 11 531 525 11 537 534 11 540 534 11 546 543 5 549 543 5 555 552 13 564 561 13 567 561 13 573 570 13 576 570 13 483 480 3 489 486 5 495 492 5 498 492 5 504 501 8 429 426 3 435 432 5 441 438 11 444 438 11 453 450 22 459 456 40 465 462 22 471 468 20 390 387 5 393 387 5 399 396 11 402 396 11 408 405 11 411 405 11 417 414 5 315 312 3 321 318 5 327 324 11 330 324 11 336 333 11 339 333 11 345 342 5 348 342 5 354 351 13 363 360 13 366 360 13 372 369 13 375 369 13 282 279 3 288 285 5 294 291 5 297 291 5 303 300 8 237 234 3 243 240 5 249 246 11 252 246 11 258 255 11 261 255 11 165 162 3 171 168 5 177 174 11 180 174 11 186 183 11 189 183 11 195 192 5 198 192 5 204 201 13 213 210 13 216 210 13 222 219 13 225 219 13 144 141 3 150 147 31 153 147 31 123 120 3 129 126 31 132 126 31 66 63 3 72 69 5 78 75 11 84 81 11 87 81 11 90 81 11 96 93 11 99 93 11 105 102 11 108 102 11 111 102 11 3 0 34 6 0 34 9 0 34 15 12 32 21 18 11 27 24 11 30 24 11 33 24 11 39 36 11 42 36 11 48 45 11 51 45 11 54 45 11 10875 10872 11 10878 10872 11 10884 10881 11 10887 10881 11 10899 10896 3 10905 10902 5 10911 10908 11 10917 10914 11 10920 10914 11 10923 10914 11 10929 10926 11 10932 10926 11 10935 10926 11 10950 10947 5 10953 10947 5 10959 10956 11 10962 10956 11 10968 10965 11 10971 10965 11 10977 10974 5 10989 10986 3 10995 10992 31 10998 10992 31 11010 11007 3 11016 11013 5 11019 11013 5 11022 11013 5 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 10749 10743 4 10755 10749 6 10764 10755 7 10770 10749 9 10773 10770 10 10776 10770 10 10677 10671 4 10683 10677 6 10692 10683 6 10701 10692 6 10710 10701 12 10716 10710 14 10719 10716 14 10728 10716 14 10737 10677 9 10737 10743 15 10740 10737 16 10626 10620 4 10632 10626 6 10641 10632 6 10650 10641 17 10653 10650 17 10665 10626 9 10665 10671 15 10668 10665 16 10584 10578 4 10590 10584 6 10596 10590 6 10608 10590 7 10614 10584 9 10614 10620 15 10617 10614 16 10542 10536 4 10548 10542 6 10554 10548 6 10566 10548 7 10572 10542 9 10572 10578 15 10575 10572 16 10470 10464 4 10476 10470 6 10485 10476 6 10494 10485 6 10503 10494 12 10509 10503 14 10512 10509 14 10521 10509 14 10530 10470 9 10530 10536 15 10533 10530 16 10413 10407 4 10419 10413 6 10425 10419 6 10437 10419 6 10446 10437 6 10458 10413 9 10458 10464 15 10461 10458 16 10341 10335 4 10347 10341 6 10356 10347 18 10359 10356 19 10365 10359 21 10371 10365 23 10374 10371 24 10380 10374 26 10386 10380 26 10392 10386 26 10398 10356 27 10398 10371 28 10398 10392 29 10401 10341 9 10401 10407 15 10404 10401 16 10296 10293 4 10305 10296 6 10314 10305 6 10323 10293 4 10323 10314 6 10329 10323 9 10329 10335 15 10332 10329 16 10242 10236 4 10248 10242 6 10257 10248 6 10263 10257 6 10275 10257 6 10287 10242 9 10287 10293 15 10290 10287 16 10182 10176 4 10188 10182 6 10197 10188 30 10200 10197 26 10206 10200 26 10212 10206 26 10218 10212 26 10224 10197 26 10224 10218 26 10230 10182 9 10230 10236 15 10233 10230 16 10149 10143 4 10155 10149 6 10164 10155 7 10170 10149 9 10170 10176 15 10173 10170 16 10116 10110 4 10122 10116 6 10131 10122 7 10137 10116 9 10137 10143 15 10140 10137 16 10068 10062 4 10074 10068 6 10080 10074 6 10092 10074 6 10104 10068 9 10104 10110 15 10107 10104 16 9996 9990 4 10002 9996 6 10011 10002 6 10020 10011 6 10029 10020 12 10035 10029 14 10038 10035 14 10047 10035 14 10056 9996 9 10056 10062 15 10059 10056 16 9954 9948 4 9960 9954 6 9966 9960 6 9978 9960 7 9984 9954 9 9984 9990 15 9987 9984 16 9894 9888 4 9900 9894 6 9909 9900 30 9912 9909 26 9918 9912 26 9924 9918 26 9930 9924 26 9936 9909 26 9936 9930 26 9942 9894 9 9942 9948 15 9945 9942 16 9846 9840 4 9852 9846 6 9858 9852 6 9870 9852 6 9882 9846 9 9882 9888 15 9885 9882 16 9801 9795 4 9807 9801 6 9816 9807 6 9825 9816 9 9828 9825 10 9831 9825 10 9834 9801 9 9834 9840 15 9837 9834 16 9756 9753 4 9765 9756 6 9774 9765 6 9783 9753 4 9783 9774 6 9789 9783 9 9789 9795 15 9792 9789 16 9714 9711 4 9723 9714 6 9732 9723 6 9741 9711 4 9741 9732 6 9747 9741 9 9747 9753 15 9750 9747 16 9669 9663 4 9675 9669 6 9681 9675 6 9693 9675 6 9705 9669 9 9705 9711 15 9708 9705 16 9648 9642 4 9657 9648 9 9657 9663 15 9660 9657 16 9615 9609 4 9621 9615 6 9630 9621 7 9636 9615 9 9636 9642 15 9639 9636 16 9582 9576 4 9588 9582 6 9597 9588 7 9603 9582 9 9603 9609 15 9606 9603 16 9516 9510 4 9522 9516 6 9531 9522 6 9540 9531 6 9549 9540 6 9558 9549 33 9570 9516 9 9570 9576 15 9573 9570 16 9495 9489 4 9504 9495 9 9504 9510 15 9507 9504 16 9432 9426 4 9438 9432 6 9447 9438 30 9450 9447 26 9456 9450 26 9462 9456 35 9465 9462 36 9471 9462 35 9477 9447 26 9477 9471 26 9483 9432 9 9483 9489 15 9486 9483 16 9399 9393 4 9405 9399 6 9414 9405 7 9420 9399 9 9420 9426 15 9423 9420 16 9351 9345 4 9357 9351 6 9363 9357 6 9375 9357 6 9387 9351 9 9387 9393 15 9390 9387 16 9294 9288 4 9300 9294 6 9306 9300 6 9318 9300 6 9327 9318 6 9339 9294 9 9339 9345 15 9342 9339 16 9273 9267 4 9282 9273 9 9282 9288 15 9285 9282 16 9219 9213 4 9225 9219 6 9234 9225 37 9237 9234 38 9243 9237 39 9249 9243 39 9255 9234 41 9255 9249 21 9261 9219 9 9261 9267 15 9264 9261 16 9189 9183 4 9195 9189 6 9207 9189 9 9207 9213 15 9210 9207 16 9141 9135 4 9147 9141 6 9153 9147 6 9165 9147 6 9177 9141 9 9177 9183 15 9180 9177 16 9099 9093 4 9105 9099 6 9114 9105 9 9117 9114 16 9120 9114 15 9129 9099 9 9129 9135 15 9132 9129 16 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14 6744 6732 14 6753 6693 9 6753 6759 15 6756 6753 16 6636 6630 4 6642 6636 6 6651 6642 6 6657 6651 6 6669 6651 6 6681 6636 9 6681 6687 15 6684 6681 16 6594 6588 4 6600 6594 6 6606 6600 6 6618 6600 7 6624 6594 9 6624 6630 15 6627 6624 16 6558 6552 4 6564 6558 6 6573 6564 9 6576 6573 10 6579 6573 10 6582 6558 9 6582 6588 15 6585 6582 16 6516 6510 4 6522 6516 6 6528 6522 6 6540 6522 7 6546 6516 9 6546 6552 15 6549 6546 16 6495 6489 4 6504 6495 9 6504 6510 15 6507 6504 16 6423 6417 4 6429 6423 6 6438 6429 6 6447 6438 6 6456 6447 12 6462 6456 14 6465 6462 14 6474 6462 14 6483 6423 9 6483 6489 15 6486 6483 16 6351 6345 4 6357 6351 6 6366 6357 6 6375 6366 6 6384 6375 12 6390 6384 14 6393 6390 14 6402 6390 14 6411 6351 9 6411 6417 15 6414 6411 16 6300 6294 4 6306 6300 6 6315 6306 6 6324 6315 17 6327 6324 17 6339 6300 9 6339 6345 15 6342 6339 16 6267 6261 4 6273 6267 6 6282 6273 7 6288 6267 9 6288 6294 15 6291 6288 16 6219 6213 4 6225 6219 6 6231 6225 6 6243 6225 6 6255 6219 9 6255 6261 15 6258 6255 16 6147 6141 4 6153 6147 6 6162 6153 6 6171 6162 6 6180 6171 12 6186 6180 14 6189 6186 14 6198 6186 14 6207 6147 9 6207 6213 15 6210 6207 16 6126 6120 4 6135 6126 9 6135 6141 15 6138 6135 16 6054 6048 4 6060 6054 6 6069 6060 18 6072 6069 19 6078 6072 21 6084 6078 23 6087 6084 24 6093 6087 26 6099 6093 26 6105 6099 26 6111 6069 27 6111 6084 28 6111 6105 29 6114 6054 9 6114 6120 15 6117 6114 16 6033 6027 4 6042 6033 9 6042 6048 15 6045 6042 16 6003 5997 4 6009 6003 6 6021 6003 9 6021 6027 15 6024 6021 16 5955 5949 4 5961 5955 6 5967 5961 6 5979 5961 6 5991 5955 9 5991 5997 15 5994 5991 16 5913 5907 4 5919 5913 6 5925 5919 6 5937 5919 7 5943 5913 9 5943 5949 15 5946 5943 16 5883 5877 4 5889 5883 6 5898 5889 17 5898 9042 42 5901 5883 9 5901 5907 15 5904 5901 16 5826 5820 4 5832 5826 6 5841 5832 6 5847 5841 6 5859 5841 6 5871 5826 9 5871 5877 15 5874 5871 16 5784 5778 4 5790 5784 6 5796 5790 6 5808 5790 7 5814 5784 9 5814 5820 15 5817 5814 16 5763 5757 4 5772 5763 9 5772 5778 15 5775 5772 16 5718 5715 4 5727 5718 6 5736 5727 6 5745 5715 4 5745 5736 6 5751 5745 9 5751 5757 15 5754 5751 16 5649 5643 4 5655 5649 6 5664 5655 6 5673 5664 6 5682 5673 12 5688 5682 14 5691 5688 14 5700 5688 14 5709 5649 9 5709 5715 15 5712 5709 16 5592 5586 4 5598 5592 6 5607 5598 6 5613 5607 6 5625 5607 6 5637 5592 9 5637 5643 15 5640 5637 16 5571 5565 4 5580 5571 9 5580 5586 15 5583 5580 16 5526 5520 4 5532 5526 6 5541 5532 6 5550 5541 9 5553 5550 10 5556 5550 10 5559 5526 9 5559 5565 15 5562 5559 16 5475 5469 4 5481 5475 6 5490 5481 6 5499 5490 9 5502 5499 16 5505 5499 15 5514 5475 9 5514 5520 15 5517 5514 16 5445 5439 4 5451 5445 6 5463 5445 9 5463 5469 15 5466 5463 16 5373 5367 4 5379 5373 6 5388 5379 6 5397 5388 6 5406 5397 12 5412 5406 14 5415 5412 14 5424 5412 14 5433 5373 9 5433 5439 15 5436 5433 16 5328 5325 4 5337 5328 6 5346 5337 6 5355 5325 4 5355 5346 6 5361 5355 9 5361 5367 15 5364 5361 16 5274 5268 4 5280 5274 6 5289 5280 6 5295 5289 6 5307 5289 6 5319 5274 9 5319 5325 15 5322 5319 16 5244 5238 4 5250 5244 6 5262 5244 9 5262 5268 15 5265 5262 16 5196 5190 4 5202 5196 6 5208 5202 6 5220 5202 6 5232 5196 9 5232 5238 15 5235 5232 16 5151 5148 4 5160 5151 6 5169 5160 6 5178 5148 4 5178 5169 6 5184 5178 9 5184 5190 15 5187 5184 16 5112 5106 4 5118 5112 6 5127 5118 9 5130 5127 16 5133 5127 15 5142 5112 9 5142 5148 15 5145 5142 16 5064 5058 4 5070 5064 6 5076 5070 6 5088 5070 6 5100 5064 9 5100 5106 15 5103 5100 16 5022 5016 4 5028 5022 6 5037 5028 9 5040 5037 16 5043 5037 15 5052 5022 9 5052 5058 15 5055 5052 16 4950 4944 4 4956 4950 6 4965 4956 6 4974 4965 6 4983 4974 12 4989 4983 14 4992 4989 14 5001 4989 14 5010 4950 9 5010 5016 15 5013 5010 16 4908 4902 4 4914 4908 6 4923 4914 9 4926 4923 16 4929 4923 15 4938 4908 9 4938 4944 15 4941 4938 16 4836 4830 4 4842 4836 6 4851 4842 6 4860 4851 6 4869 4860 12 4875 4869 14 4878 4875 14 4887 4875 14 4896 4836 9 4896 4902 15 4899 4896 16 4764 4758 4 4770 4764 6 4779 4770 6 4788 4779 6 4797 4788 12 4803 4797 14 4806 4803 14 4815 4803 14 4824 4764 9 4824 4830 15 4827 4824 16 4716 4710 4 4722 4716 6 4728 4722 6 4740 4722 6 4752 4716 9 4752 4758 15 4755 4752 16 4644 4638 4 4650 4644 6 4659 4650 6 4668 4659 6 4677 4668 12 4683 4677 14 4686 4683 14 4695 4683 14 4704 4644 9 4704 4710 15 4707 4704 16 4572 4566 4 4578 4572 6 4587 4578 6 4596 4587 6 4605 4596 12 4611 4605 14 4614 4611 14 4623 4611 14 4632 4572 9 4632 4638 15 4635 4632 16 4539 4533 4 4545 4539 6 4554 4545 7 4560 4539 9 4560 4566 15 4563 4560 16 4482 4476 4 4488 4482 6 4497 4488 6 4503 4497 6 4515 4497 6 4527 4482 9 4527 4533 15 4530 4527 16 4431 4425 4 4437 4431 6 4446 4437 6 4455 4446 9 4458 4455 16 4461 4455 15 4470 4431 9 4470 4476 15 4473 4470 16 4374 4368 4 4380 4374 6 4389 4380 6 4395 4389 6 4407 4389 6 4419 4374 9 4419 4425 15 4422 4419 16 4317 4311 4 4323 4317 6 4332 4323 6 4338 4332 6 4350 4332 6 4362 4317 9 4362 4368 15 4365 4362 16 4266 4260 4 4272 4266 6 4281 4272 6 4290 4281 17 4293 4290 17 4305 4266 9 4305 4311 15 4308 4305 16 4209 4203 4 4215 4209 6 4221 4215 6 4233 4215 6 4242 4233 6 4254 4209 9 4254 4260 15 4257 4254 16 4173 4167 4 4179 4173 6 4188 4179 9 4191 4188 10 4194 4188 10 4197 4173 9 4197 4203 15 4200 4197 16 4131 4125 4 4137 4131 6 4146 4137 9 4149 4146 16 4152 4146 15 4161 4131 9 4161 4167 15 4164 4161 16 4080 4074 4 4086 4080 6 4095 4086 6 4104 4095 9 4107 4104 16 4110 4104 15 4119 4080 9 4119 4125 15 4122 4119 16 4023 4017 4 4029 4023 6 4035 4029 6 4047 4029 6 4056 4047 6 4068 4023 9 4068 4074 15 4071 4068 16 3981 3975 4 3987 3981 6 3993 3987 6 4005 3987 7 4011 3981 9 4011 4017 15 4014 4011 16 3909 3903 4 3915 3909 6 3924 3915 6 3933 3924 6 3942 3933 12 3948 3942 14 3951 3948 14 3960 3948 14 3969 3909 9 3969 3975 15 3972 3969 16 3858 3852 4 3864 3858 6 3873 3864 6 3882 3873 9 3885 3882 16 3888 3882 15 3897 3858 9 3897 3903 15 3900 3897 16 3816 3810 4 3822 3816 6 3831 3822 9 3834 3831 16 3837 3831 15 3846 3816 9 3846 3852 15 3849 3846 16 3753 3747 4 3759 3753 6 3768 3759 30 3771 3768 26 3777 3771 26 3783 3777 35 3786 3783 36 3792 3783 35 3798 3768 26 3798 3792 26 3804 3753 9 3804 3810 15 3807 3804 16 3702 3696 4 3708 3702 6 3717 3708 6 3726 3717 9 3729 3726 16 3732 3726 15 3741 3702 9 3741 3747 15 3744 3741 16 3657 3654 4 3666 3657 6 3675 3666 6 3684 3654 4 3684 3675 6 3690 3684 9 3690 3696 15 3693 3690 16 3606 3600 4 3612 3606 6 3621 3612 37 3624 3621 38 3630 3624 39 3636 3630 39 3642 3621 41 3642 3636 21 3648 3606 9 3648 3654 15 3651 3648 16 3534 3528 4 3540 3534 6 3549 3540 6 3558 3549 6 3567 3558 12 3573 3567 14 3576 3573 14 3585 3573 14 3594 3534 9 3594 3600 15 3597 3594 16 3477 3471 4 3483 3477 6 3489 3483 6 3501 3483 6 3510 3501 6 3522 3477 9 3522 3528 15 3525 3522 16 3447 3441 4 3453 3447 6 3465 3447 9 3465 3471 15 3468 3465 16 3375 3369 4 3381 3375 6 3390 3381 6 3399 3390 6 3408 3399 12 3414 3408 14 3417 3414 14 3426 3414 14 3435 3375 9 3435 3441 15 3438 3435 16 3303 3297 4 3309 3303 6 3318 3309 6 3327 3318 6 3336 3327 12 3342 3336 14 3345 3342 14 3354 3342 14 3363 3303 9 3363 3369 15 3366 3363 16 3273 3267 4 3279 3273 6 3291 3273 9 3291 3297 15 3294 3291 16 3231 3225 4 3237 3231 6 3243 3237 6 3255 3237 7 3261 3231 9 3261 3267 15 3264 3261 16 3174 3168 4 3180 3174 6 3186 3180 6 3198 3180 6 3207 3198 6 3219 3174 9 3219 3225 15 3222 3219 16 3120 3114 4 3126 3120 6 3135 3126 37 3138 3135 38 3144 3138 39 3150 3144 39 3156 3135 41 3156 3150 21 3162 3120 9 3162 3168 15 3165 3162 16 3069 3063 4 3075 3069 6 3084 3075 6 3093 3084 9 3096 3093 16 3099 3093 15 3108 3069 9 3108 3114 15 3111 3108 16 3018 3012 4 3024 3018 6 3033 3024 6 3042 3033 9 3045 3042 16 3048 3042 15 3057 3018 9 3057 3063 15 3060 3057 16 2976 2970 4 2982 2976 6 2988 2982 6 3000 2982 7 3006 2976 9 3006 3012 15 3009 3006 16 2934 2928 4 2940 2934 6 2949 2940 9 2952 2949 16 2955 2949 15 2964 2934 9 2964 2970 15 2967 2964 16 2889 2883 4 2895 2889 6 2904 2895 6 2913 2904 9 2916 2913 10 2919 2913 10 2922 2889 9 2922 2928 15 2925 2922 16 2817 2811 4 2823 2817 6 2832 2823 6 2841 2832 6 2850 2841 12 2856 2850 14 2859 2856 14 2868 2856 14 2877 2817 9 2877 2883 15 2880 2877 16 2745 2739 4 2751 2745 6 2760 2751 6 2769 2760 6 2778 2769 12 2784 2778 14 2787 2784 14 2796 2784 14 2805 2745 9 2805 2811 15 2808 2805 16 2694 2688 4 2700 2694 6 2709 2700 6 2718 2709 9 2721 2718 16 2724 2718 15 2733 2694 9 2733 2739 15 2736 2733 16 2637 2631 4 2643 2637 6 2649 2643 6 2661 2643 6 2670 2661 6 2682 2637 9 2682 2688 15 2685 2682 16 2595 2589 4 2601 2595 6 2610 2601 9 2613 2610 16 2616 2610 15 2625 2595 9 2625 2631 15 2628 2625 16 2541 2535 4 2547 2541 6 2556 2547 37 2559 2556 38 2565 2559 39 2571 2565 39 2577 2556 41 2577 2571 21 2583 2541 9 2583 2589 15 2586 2583 16 2511 2505 4 2517 2511 6 2529 2511 9 2529 2535 15 2532 2529 16 2490 2484 4 2499 2490 9 2499 2505 15 2502 2499 16 2433 2427 4 2439 2433 6 2448 2439 6 2454 2448 6 2466 2448 6 2478 2433 9 2478 2484 15 2481 2478 16 2391 2385 4 2397 2391 6 2403 2397 6 2415 2397 7 2421 2391 9 2421 2427 15 2424 2421 16 2343 2337 4 2349 2343 6 2355 2349 6 2367 2349 6 2379 2343 9 2379 2385 15 2382 2379 16 2301 2295 4 2307 2301 6 2316 2307 9 2319 2316 16 2322 2316 15 2331 2301 9 2331 2337 15 2334 2331 16 2244 2238 4 2250 2244 6 2256 2250 6 2268 2250 6 2277 2268 6 2289 2244 9 2289 2295 15 2292 2289 16 2202 2196 4 2208 2202 6 2217 2208 9 2220 2217 16 2223 2217 15 2232 2202 9 2232 2238 15 2235 2232 16 2169 2163 4 2175 2169 6 2184 2175 7 2190 2169 9 2190 2196 15 2193 2190 16 2148 2142 4 2157 2148 9 2157 2163 15 2160 2157 16 2076 2070 4 2082 2076 6 2091 2082 18 2094 2091 19 2100 2094 21 2106 2100 23 2109 2106 24 2115 2109 26 2121 2115 26 2127 2121 26 2133 2091 27 2133 2106 28 2133 2127 29 2136 2076 9 2136 2142 15 2139 2136 16 2046 2040 4 2052 2046 6 2061 2052 17 2064 2046 9 2064 2070 15 2067 2064 16 1995 1989 4 2001 1995 6 2010 2001 37 2013 2010 38 2019 2013 39 2025 2019 43 2028 2010 44 2028 2025 45 2034 1995 9 2034 2040 15 2037 2034 16 1965 1959 4 1971 1965 6 1983 1965 9 1983 1989 15 1986 1983 16 1935 1929 4 1941 1935 6 1953 1935 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1416 1410 6 1425 1416 30 1428 1425 26 1434 1428 26 1440 1434 26 1446 1440 26 1452 1425 26 1452 1446 26 1458 1410 9 1458 1464 15 1461 1458 16 1389 1383 4 1398 1389 9 1398 1404 15 1401 1398 16 1368 1362 4 1377 1368 9 1377 1383 15 1380 1377 16 1338 1332 4 1344 1338 6 1353 1344 17 1353 2061 42 1356 1338 9 1356 1362 15 1359 1356 16 1266 1260 4 1272 1266 6 1281 1272 6 1290 1281 6 1299 1290 12 1305 1299 14 1308 1305 14 1317 1305 14 1326 1266 9 1326 1332 15 1329 1326 16 1233 1227 4 1239 1233 6 1248 1239 7 1254 1233 9 1254 1260 15 1257 1254 16 1182 1176 4 1188 1182 6 1197 1188 6 1206 1197 9 1209 1206 16 1212 1206 15 1221 1182 9 1221 1227 15 1224 1221 16 1161 1155 4 1170 1161 9 1170 1176 15 1173 1170 16 1131 1125 4 1137 1131 6 1149 1131 9 1149 1155 15 1152 1149 16 1086 1083 4 1095 1086 6 1104 1095 6 1113 1083 4 1113 1104 6 1119 1113 9 1119 1125 15 1122 1119 16 1056 1050 4 1062 1056 6 1071 1062 7 1077 1056 9 1077 1083 15 1080 1077 16 1005 999 4 1011 1005 6 1020 1011 6 1029 1020 9 1032 1029 16 1035 1029 15 1044 1005 9 1044 1050 15 1047 1044 16 948 942 4 954 948 6 960 954 6 972 954 6 981 972 6 993 948 9 993 999 15 996 993 16 897 891 4 903 897 6 912 903 6 921 912 9 924 921 16 927 921 15 936 897 9 936 942 15 939 936 16 840 834 4 846 840 6 855 846 6 861 855 6 873 855 6 885 840 9 885 891 15 888 885 16 777 771 4 783 777 6 792 783 30 795 792 26 801 795 26 807 801 35 810 807 36 816 807 35 822 792 26 822 816 26 828 777 9 828 834 15 831 828 16 747 741 4 753 747 6 765 747 9 765 771 15 768 765 16 696 690 4 702 696 6 711 702 6 720 711 17 723 720 17 735 696 9 735 741 15 738 735 16 633 627 4 639 633 6 648 639 30 651 648 26 657 651 26 663 657 35 666 663 36 672 663 35 678 648 26 678 672 26 684 633 9 684 690 15 687 684 16 588 585 4 597 588 6 606 597 6 615 585 4 615 606 6 621 615 9 621 627 15 624 621 16 519 513 4 525 519 6 534 525 6 543 534 6 552 543 12 558 552 14 561 558 14 570 558 14 579 519 9 579 585 15 582 579 16 486 480 4 492 486 6 501 492 7 507 486 9 507 513 15 510 507 16 432 426 4 438 432 6 447 438 37 450 447 38 456 450 39 462 456 39 468 447 41 468 462 21 474 432 9 474 480 15 477 474 16 387 384 4 396 387 6 405 396 6 414 384 4 414 405 6 420 414 9 420 426 15 423 420 16 318 312 4 324 318 6 333 324 6 342 333 6 351 342 12 357 351 14 360 357 14 369 357 14 378 318 9 378 384 15 381 378 16 285 279 4 291 285 6 300 291 7 306 285 9 306 312 15 309 306 16 240 234 4 246 240 6 255 246 6 264 255 9 267 264 10 270 264 10 273 240 9 273 279 15 276 273 16 168 162 4 174 168 6 183 174 6 192 183 6 201 192 12 207 201 14 210 207 14 219 207 14 228 168 9 228 234 15 231 228 16 147 141 4 156 147 9 156 162 15 159 156 16 126 120 4 135 126 9 135 141 15 138 135 16 69 63 4 75 69 6 81 75 6 93 75 6 102 93 6 114 69 9 114 120 15 117 114 16 12 0 33 18 12 6 24 18 6 36 18 6 45 36 6 57 12 9 57 63 15 60 57 16 10866 10863 10 10869 10866 10 10872 10866 9 10881 10872 6 10890 10881 9 10890 10896 15 10893 10890 16 10902 10896 4 10908 10902 6 10914 10908 6 10926 10908 6 10938 10902 9 10938 10944 15 10941 10938 16 10947 10944 4 10956 10947 6 10965 10956 6 10974 10944 4 10974 10965 6 10980 10974 9 10980 10986 15 10983 10980 16 10992 10986 4 11001 10992 9 11001 11007 15 11004 11001 16 11013 11007 4 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 10749 10743 10746 1 10752 10749 10743 2 10755 10749 10752 4 10758 10755 10749 4 10761 10755 10749 4 10761 10755 10758 5 10764 10755 10758 7 10764 10755 10761 7 10767 10764 10755 8 10770 10749 10752 10 10677 10671 10674 1 10680 10677 10671 2 10683 10677 10680 4 10686 10683 10677 15 10689 10683 10677 15 10689 10683 10686 16 10692 10683 10686 15 10692 10683 10689 15 10695 10692 10683 15 10698 10692 10683 15 10698 10692 10695 16 10701 10692 10695 15 10701 10692 10698 15 10704 10701 10692 4 10707 10701 10692 4 10707 10701 10704 5 10710 10701 10704 19 10710 10701 10707 19 10713 10710 10701 20 10716 10710 10713 22 10722 10719 10716 22 10725 10719 10716 22 10725 10719 10722 24 10731 10728 10716 22 10734 10728 10716 22 10734 10728 10731 24 10737 10677 10680 10 10737 10743 10746 25 10626 10620 10623 1 10629 10626 10620 2 10632 10626 10629 4 10635 10632 10626 15 10638 10632 10626 15 10638 10632 10635 16 10641 10632 10635 15 10641 10632 10638 15 10644 10641 10632 4 10647 10641 10632 4 10647 10641 10644 5 10650 10641 10644 30 10650 10641 10647 30 10656 10653 10650 30 10659 10653 10650 30 10659 10653 10656 5 10662 10653 10650 30 10662 10653 10656 5 10662 10653 10659 5 10665 10626 10629 10 10665 10671 10674 25 10584 10578 10581 1 10587 10584 10578 2 10590 10584 10587 4 10593 10590 10584 4 10596 10590 10593 4 10599 10596 10590 15 10602 10596 10590 15 10602 10596 10599 16 10605 10596 10590 15 10605 10596 10599 16 10605 10596 10602 16 10608 10590 10593 7 10611 10608 10590 8 10614 10584 10587 10 10614 10620 10623 25 10542 10536 10539 1 10545 10542 10536 2 10548 10542 10545 4 10551 10548 10542 4 10554 10548 10551 4 10557 10554 10548 15 10560 10554 10548 15 10560 10554 10557 16 10563 10554 10548 15 10563 10554 10557 16 10563 10554 10560 16 10566 10548 10551 7 10569 10566 10548 8 10572 10542 10545 10 10572 10578 10581 25 10470 10464 10467 1 10473 10470 10464 2 10476 10470 10473 4 10479 10476 10470 15 10482 10476 10470 15 10482 10476 10479 16 10485 10476 10479 15 10485 10476 10482 15 10488 10485 10476 15 10491 10485 10476 15 10491 10485 10488 16 10494 10485 10488 15 10494 10485 10491 15 10497 10494 10485 4 10500 10494 10485 4 10500 10494 10497 5 10503 10494 10497 19 10503 10494 10500 19 10506 10503 10494 20 10509 10503 10506 22 10515 10512 10509 22 10518 10512 10509 22 10518 10512 10515 24 10524 10521 10509 22 10527 10521 10509 22 10527 10521 10524 24 10530 10470 10473 10 10530 10536 10539 25 10413 10407 10410 1 10416 10413 10407 2 10419 10413 10416 4 10422 10419 10413 15 10425 10419 10422 15 10428 10425 10419 15 10431 10425 10419 15 10431 10425 10428 16 10434 10425 10419 15 10434 10425 10428 16 10434 10425 10431 16 10437 10419 10422 15 10440 10437 10419 15 10443 10437 10419 15 10443 10437 10440 16 10446 10437 10440 15 10446 10437 10443 15 10449 10446 10437 15 10452 10446 10437 15 10452 10446 10449 16 10455 10446 10437 15 10455 10446 10449 16 10455 10446 10452 16 10458 10413 10416 10 10458 10464 10467 25 10341 10335 10338 1 10344 10341 10335 2 10347 10341 10344 4 10350 10347 10341 15 10353 10347 10341 15 10353 10347 10350 16 10356 10347 10350 33 10356 10347 10353 33 10362 10359 10356 35 10365 10359 10362 37 10368 10365 10359 38 10371 10365 10368 40 10377 10374 10371 43 10380 10374 10377 45 10383 10380 10374 45 10386 10380 10383 45 10389 10386 10380 45 10392 10386 10389 45 10395 10392 10386 45 10398 10392 10395 54 10401 10341 10344 10 10401 10407 10410 25 10299 10296 10293 2 10302 10296 10293 2 10302 10296 10299 5 10305 10296 10299 4 10305 10296 10302 4 10308 10305 10296 15 10311 10305 10296 15 10311 10305 10308 16 10314 10305 10308 15 10314 10305 10311 15 10317 10314 10305 15 10320 10314 10305 15 10320 10314 10317 16 10323 10314 10317 15 10323 10314 10320 15 10326 10323 10293 2 10326 10323 10314 4 10329 10323 10326 10 10329 10335 10338 25 10242 10236 10239 1 10245 10242 10236 2 10248 10242 10245 4 10251 10248 10242 15 10254 10248 10242 15 10254 10248 10251 16 10257 10248 10251 15 10257 10248 10254 15 10260 10257 10248 15 10263 10257 10260 15 10266 10263 10257 15 10269 10263 10257 15 10269 10263 10266 16 10272 10263 10257 15 10272 10263 10266 16 10272 10263 10269 16 10275 10257 10260 15 10278 10275 10257 15 10281 10275 10257 15 10281 10275 10278 16 10284 10275 10257 15 10284 10275 10278 16 10284 10275 10281 16 10287 10242 10245 10 10182 10176 10179 1 10185 10182 10176 2 10188 10182 10185 4 10191 10188 10182 15 10194 10188 10182 15 10194 10188 10191 16 10197 10188 10191 57 10197 10188 10194 57 10203 10200 10197 45 10206 10200 10203 45 10209 10206 10200 45 10212 10206 10209 45 10215 10212 10206 45 10218 10212 10215 45 10221 10218 10212 45 10224 10218 10221 45 10227 10224 10197 45 10227 10224 10218 45 10230 10182 10185 10 10230 10236 10239 25 10149 10143 10146 1 10152 10149 10143 2 10155 10149 10152 4 10158 10155 10149 4 10161 10155 10149 4 10161 10155 10158 5 10164 10155 10158 7 10164 10155 10161 7 10167 10164 10155 8 10170 10149 10152 10 10170 10176 10179 25 10116 10110 10113 1 10119 10116 10110 2 10122 10116 10119 4 10125 10122 10116 4 10128 10122 10116 4 10128 10122 10125 5 10131 10122 10125 7 10131 10122 10128 7 10134 10131 10122 8 10137 10116 10119 10 10137 10143 10146 25 10068 10062 10065 1 10071 10068 10062 2 10074 10068 10071 4 10077 10074 10068 15 10080 10074 10077 15 10083 10080 10074 15 10086 10080 10074 15 10086 10080 10083 16 10089 10080 10074 15 10089 10080 10083 16 10089 10080 10086 16 10092 10074 10077 15 10095 10092 10074 15 10098 10092 10074 15 10098 10092 10095 16 10101 10092 10074 15 10101 10092 10095 16 10101 10092 10098 16 10104 10068 10071 10 10104 10110 10113 25 9996 9990 9993 1 9999 9996 9990 2 10002 9996 9999 4 10005 10002 9996 15 10008 10002 9996 15 10008 10002 10005 16 10011 10002 10005 15 10011 10002 10008 15 10014 10011 10002 15 10017 10011 10002 15 10017 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10878 15 10884 10881 10872 15 10887 10881 10872 15 10887 10881 10884 16 10890 10881 10884 59 10890 10881 10887 59 10890 10896 10899 25 10902 10896 10899 1 10905 10902 10896 2 10908 10902 10905 4 10911 10908 10902 15 10914 10908 10911 15 10917 10914 10908 15 10920 10914 10908 15 10920 10914 10917 16 10923 10914 10908 15 10923 10914 10917 16 10923 10914 10920 16 10926 10908 10911 15 10929 10926 10908 15 10932 10926 10908 15 10932 10926 10929 16 10935 10926 10908 15 10935 10926 10929 16 10935 10926 10932 16 10938 10902 10905 10 10950 10947 10944 2 10953 10947 10944 2 10953 10947 10950 5 10956 10947 10950 4 10956 10947 10953 4 10959 10956 10947 15 10962 10956 10947 15 10962 10956 10959 16 10965 10956 10959 15 10965 10956 10962 15 10968 10965 10956 15 10971 10965 10956 15 10971 10965 10968 16 10974 10965 10968 15 10974 10965 10971 15 10977 10974 10944 2 10977 10974 10965 4 10980 10974 10977 10 10980 10986 10989 25 10992 10986 10989 1 10995 10992 10986 60 10998 10992 10986 60 10998 10992 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6 10614 10584 10578 9 10614 10584 10590 11 10614 10620 10626 26 10617 10614 10584 27 10617 10614 10620 28 10542 10572 10578 14 10548 10542 10536 3 10554 10548 10542 17 10566 10548 10542 6 10566 10548 10554 6 10572 10542 10536 9 10572 10542 10548 11 10572 10578 10584 26 10575 10572 10542 27 10575 10572 10578 28 10470 10530 10536 14 10476 10470 10464 3 10485 10476 10470 17 10494 10485 10476 17 10503 10494 10485 18 10509 10503 10494 21 10512 10509 10503 23 10521 10509 10503 23 10521 10509 10512 23 10530 10470 10464 9 10530 10470 10476 11 10530 10536 10542 26 10533 10530 10470 27 10533 10530 10536 28 10413 10458 10464 14 10419 10413 10407 3 10425 10419 10413 17 10437 10419 10413 17 10437 10419 10425 17 10446 10437 10419 17 10458 10413 10407 9 10458 10413 10419 11 10458 10464 10470 26 10461 10458 10413 27 10461 10458 10464 28 10341 10401 10407 14 10347 10341 10335 3 10356 10347 10341 32 10359 10356 10347 34 10365 10359 10356 36 10371 10365 10359 39 10371 10398 10356 41 10374 10371 10365 42 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3981 3975 3 3993 3987 3981 17 4005 3987 3981 6 4005 3987 3993 6 4011 3981 3975 9 4011 3981 3987 11 4011 4017 4023 26 4014 4011 3981 27 4014 4011 4017 28 3909 3969 3975 14 3915 3909 3903 3 3924 3915 3909 17 3933 3924 3915 17 3942 3933 3924 18 3948 3942 3933 21 3951 3948 3942 23 3960 3948 3942 23 3960 3948 3951 23 3969 3909 3903 9 3969 3909 3915 11 3969 3975 3981 26 3972 3969 3909 27 3972 3969 3975 28 3858 3897 3903 14 3864 3858 3852 3 3873 3864 3858 17 3882 3873 3864 11 3885 3882 3873 27 3888 3882 3873 14 3888 3882 3885 28 3897 3858 3852 9 3897 3858 3864 11 3897 3903 3909 26 3900 3897 3858 27 3900 3897 3903 28 3816 3846 3852 14 3822 3816 3810 3 3831 3822 3816 11 3834 3831 3822 27 3837 3831 3822 14 3837 3831 3834 28 3846 3816 3810 9 3846 3816 3822 11 3846 3852 3858 26 3849 3846 3816 27 3849 3846 3852 28 3753 3804 3810 14 3759 3753 3747 3 3768 3759 3753 56 3771 3768 3759 58 3777 3771 3768 46 3783 3777 3771 69 3786 3783 3777 71 3792 3783 3777 73 3792 3783 3786 71 3792 3798 3768 46 3798 3768 3759 58 3798 3768 3771 46 3798 3792 3783 69 3804 3753 3747 9 3804 3753 3759 11 3804 3810 3816 26 3807 3804 3753 27 3807 3804 3810 28 3702 3741 3747 14 3708 3702 3696 3 3717 3708 3702 17 3726 3717 3708 11 3729 3726 3717 27 3732 3726 3717 14 3732 3726 3729 28 3741 3702 3696 9 3741 3702 3708 11 3741 3747 3753 26 3744 3741 3702 27 3744 3741 3747 28 3666 3657 3654 3 3675 3666 3657 17 3675 3684 3654 3 3684 3654 3657 55 3684 3675 3666 17 3684 3690 3696 14 3690 3684 3654 9 3690 3684 3675 11 3690 3696 3702 26 3693 3690 3684 27 3693 3690 3696 28 3606 3648 3654 14 3612 3606 3600 3 3621 3612 3606 74 3624 3621 3612 76 3630 3624 3621 78 3636 3630 3624 81 3636 3642 3621 82 3642 3621 3612 83 3642 3621 3624 84 3642 3636 3630 85 3648 3606 3600 9 3648 3606 3612 11 3648 3654 3657 26 3648 3654 3684 26 3651 3648 3606 27 3651 3648 3654 28 3534 3594 3600 14 3540 3534 3528 3 3549 3540 3534 17 3558 3549 3540 17 3567 3558 3549 18 3573 3567 3558 21 3576 3573 3567 23 3585 3573 3567 23 3585 3573 3576 23 3594 3534 3528 9 3594 3534 3540 11 3594 3600 3606 26 3597 3594 3534 27 3597 3594 3600 28 3477 3522 3528 14 3483 3477 3471 3 3489 3483 3477 17 3501 3483 3477 17 3501 3483 3489 17 3510 3501 3483 17 3522 3477 3471 9 3522 3477 3483 11 3522 3528 3534 26 3525 3522 3477 27 3525 3522 3528 28 3447 3465 3471 14 3453 3447 3441 3 3465 3447 3441 9 3465 3447 3453 11 3465 3471 3477 26 3468 3465 3447 27 3468 3465 3471 28 3375 3435 3441 14 3381 3375 3369 3 3390 3381 3375 17 3399 3390 3381 17 3408 3399 3390 18 3414 3408 3399 21 3417 3414 3408 23 3426 3414 3408 23 3426 3414 3417 23 3435 3375 3369 9 3435 3375 3381 11 3435 3441 3447 26 3438 3435 3375 27 3438 3435 3441 28 3303 3363 3369 14 3309 3303 3297 3 3318 3309 3303 17 3327 3318 3309 17 3336 3327 3318 18 3342 3336 3327 21 3345 3342 3336 23 3354 3342 3336 23 3354 3342 3345 23 3363 3303 3297 9 3363 3303 3309 11 3363 3369 3375 26 3366 3363 3303 27 3366 3363 3369 28 3273 3291 3297 14 3279 3273 3267 3 3291 3273 3267 9 3291 3273 3279 11 3291 3297 3303 26 3294 3291 3273 27 3294 3291 3297 28 3231 3261 3267 14 3237 3231 3225 3 3243 3237 3231 17 3255 3237 3231 6 3255 3237 3243 6 3261 3231 3225 9 3261 3231 3237 11 3261 3267 3273 26 3264 3261 3231 27 3264 3261 3267 28 3174 3219 3225 14 3180 3174 3168 3 3186 3180 3174 17 3198 3180 3174 17 3198 3180 3186 17 3207 3198 3180 17 3219 3174 3168 9 3219 3174 3180 11 3219 3225 3231 26 3222 3219 3174 27 3222 3219 3225 28 3120 3162 3168 14 3126 3120 3114 3 3135 3126 3120 74 3138 3135 3126 76 3144 3138 3135 78 3150 3144 3138 81 3150 3156 3135 82 3156 3135 3126 83 3156 3135 3138 84 3156 3150 3144 85 3162 3120 3114 9 3162 3120 3126 11 3162 3168 3174 26 3165 3162 3120 27 3165 3162 3168 28 3069 3108 3114 14 3075 3069 3063 3 3084 3075 3069 17 3093 3084 3075 11 3096 3093 3084 27 3099 3093 3084 14 3099 3093 3096 28 3108 3069 3063 9 3108 3069 3075 11 3108 3114 3120 26 3111 3108 3069 27 3111 3108 3114 28 3018 3057 3063 14 3024 3018 3012 3 3033 3024 3018 17 3042 3033 3024 11 3045 3042 3033 27 3048 3042 3033 14 3048 3042 3045 28 3057 3018 3012 9 3057 3018 3024 11 3057 3063 3069 26 3060 3057 3018 27 3060 3057 3063 28 2976 3006 3012 14 2982 2976 2970 3 2988 2982 2976 17 3000 2982 2976 6 3000 2982 2988 6 3006 2976 2970 9 3006 2976 2982 11 3006 3012 3018 26 3009 3006 2976 27 3009 3006 3012 28 2934 2964 2970 14 2940 2934 2928 3 2949 2940 2934 11 2952 2949 2940 27 2955 2949 2940 14 2955 2949 2952 28 2964 2934 2928 9 2964 2934 2940 11 2964 2970 2976 26 2967 2964 2934 27 2967 2964 2970 28 2889 2922 2928 14 2895 2889 2883 3 2904 2895 2889 17 2913 2904 2895 11 2916 2913 2904 12 2919 2913 2904 12 2919 2913 2916 13 2922 2889 2883 9 2922 2889 2895 11 2922 2928 2934 26 2925 2922 2889 27 2925 2922 2928 28 2817 2877 2883 14 2823 2817 2811 3 2832 2823 2817 17 2841 2832 2823 17 2850 2841 2832 18 2856 2850 2841 21 2859 2856 2850 23 2868 2856 2850 23 2868 2856 2859 23 2877 2817 2811 9 2877 2817 2823 11 2877 2883 2889 26 2880 2877 2817 27 2880 2877 2883 28 2745 2805 2811 14 2751 2745 2739 3 2760 2751 2745 17 2769 2760 2751 17 2778 2769 2760 18 2784 2778 2769 21 2787 2784 2778 23 2796 2784 2778 23 2796 2784 2787 23 2805 2745 2739 9 2805 2745 2751 11 2805 2811 2817 26 2808 2805 2745 27 2808 2805 2811 28 2694 2733 2739 14 2700 2694 2688 3 2709 2700 2694 17 2718 2709 2700 11 2721 2718 2709 27 2724 2718 2709 14 2724 2718 2721 28 2733 2694 2688 9 2733 2694 2700 11 2733 2739 2745 26 2736 2733 2694 27 2736 2733 2739 28 2637 2682 2688 14 2643 2637 2631 3 2649 2643 2637 17 2661 2643 2637 17 2661 2643 2649 17 2670 2661 2643 17 2682 2637 2631 9 2682 2637 2643 11 2682 2688 2694 26 2685 2682 2637 27 2685 2682 2688 28 2595 2625 2631 14 2601 2595 2589 3 2610 2601 2595 11 2613 2610 2601 27 2616 2610 2601 14 2616 2610 2613 28 2625 2595 2589 9 2625 2595 2601 11 2625 2631 2637 26 2628 2625 2595 27 2628 2625 2631 28 2541 2583 2589 14 2547 2541 2535 3 2556 2547 2541 74 2559 2556 2547 76 2565 2559 2556 78 2571 2565 2559 81 2571 2577 2556 82 2577 2556 2547 83 2577 2556 2559 84 2577 2571 2565 85 2583 2541 2535 9 2583 2541 2547 11 2583 2589 2595 26 2586 2583 2541 27 2586 2583 2589 28 2511 2529 2535 14 2517 2511 2505 3 2529 2511 2505 9 2529 2511 2517 11 2529 2535 2541 26 2532 2529 2511 27 2532 2529 2535 28 2490 2499 2505 14 2499 2490 2484 9 2499 2505 2511 26 2502 2499 2490 27 2502 2499 2505 28 2433 2478 2484 14 2439 2433 2427 3 2448 2439 2433 17 2454 2448 2439 17 2466 2448 2439 17 2466 2448 2454 17 2478 2433 2427 9 2478 2433 2439 11 2478 2484 2490 26 2481 2478 2433 27 2481 2478 2484 28 2391 2421 2427 14 2397 2391 2385 3 2403 2397 2391 17 2415 2397 2391 6 2415 2397 2403 6 2421 2391 2385 9 2421 2391 2397 11 2421 2427 2433 26 2424 2421 2391 27 2424 2421 2427 28 2343 2379 2385 14 2349 2343 2337 3 2355 2349 2343 17 2367 2349 2343 17 2367 2349 2355 17 2379 2343 2337 9 2379 2343 2349 11 2379 2385 2391 26 2382 2379 2343 27 2382 2379 2385 28 2301 2331 2337 14 2307 2301 2295 3 2316 2307 2301 11 2319 2316 2307 27 2322 2316 2307 14 2322 2316 2319 28 2331 2301 2295 9 2331 2301 2307 11 2331 2337 2343 26 2334 2331 2301 27 2334 2331 2337 28 2244 2289 2295 14 2250 2244 2238 3 2256 2250 2244 17 2268 2250 2244 17 2268 2250 2256 17 2277 2268 2250 17 2289 2244 2238 9 2289 2244 2250 11 2289 2295 2301 26 2292 2289 2244 27 2292 2289 2295 28 2202 2232 2238 14 2208 2202 2196 3 2217 2208 2202 11 2220 2217 2208 27 2223 2217 2208 14 2223 2217 2220 28 2232 2202 2196 9 2232 2202 2208 11 2232 2238 2244 26 2235 2232 2202 27 2235 2232 2238 28 2169 2190 2196 14 2175 2169 2163 3 2184 2175 2169 6 2190 2169 2163 9 2190 2169 2175 11 2190 2196 2202 26 2193 2190 2169 27 2193 2190 2196 28 2148 2157 2163 14 2157 2148 2142 9 2157 2163 2169 26 2160 2157 2148 27 2160 2157 2163 28 2076 2136 2142 14 2082 2076 2070 3 2091 2082 2076 32 2094 2091 2082 34 2100 2094 2091 36 2106 2100 2094 39 2106 2133 2091 41 2109 2106 2100 42 2115 2109 2106 44 2121 2115 2109 46 2127 2121 2115 46 2127 2133 2091 47 2127 2133 2106 48 2133 2091 2082 49 2133 2091 2094 50 2133 2106 2100 51 2133 2106 2109 52 2133 2127 2121 53 2136 2076 2070 9 2136 2076 2082 11 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1581 1575 17 1599 1590 1581 17 1608 1599 1590 18 1614 1608 1599 21 1617 1614 1608 23 1626 1614 1608 23 1626 1614 1617 23 1635 1575 1569 9 1635 1575 1581 11 1635 1641 1647 26 1638 1635 1575 27 1638 1635 1641 28 1527 1563 1569 14 1533 1527 1521 3 1539 1533 1527 17 1551 1533 1527 17 1551 1533 1539 17 1563 1527 1521 9 1563 1527 1533 11 1563 1569 1575 26 1566 1563 1527 27 1566 1563 1569 28 1470 1515 1521 14 1476 1470 1464 3 1485 1476 1470 17 1491 1485 1476 17 1503 1485 1476 17 1503 1485 1491 17 1515 1470 1464 9 1515 1470 1476 11 1515 1521 1527 26 1518 1515 1470 27 1518 1515 1521 28 1410 1458 1464 14 1416 1410 1404 3 1425 1416 1410 56 1428 1425 1416 58 1434 1428 1425 46 1440 1434 1428 46 1446 1440 1434 46 1446 1452 1425 46 1452 1425 1416 58 1452 1425 1428 46 1452 1446 1440 46 1458 1410 1404 9 1458 1410 1416 11 1458 1464 1470 26 1461 1458 1410 27 1461 1458 1464 28 1389 1398 1404 14 1398 1389 1383 9 1398 1404 1410 26 1401 1398 1389 27 1401 1398 1404 28 1368 1377 1383 14 1377 1368 1362 9 1377 1383 1389 26 1380 1377 1368 27 1380 1377 1383 28 1338 1356 1362 14 1344 1338 1332 3 1344 1353 2061 88 1353 1344 1338 29 1353 2061 2052 88 1356 1338 1332 9 1356 1338 1344 11 1356 1362 1368 26 1359 1356 1338 27 1359 1356 1362 28 1266 1326 1332 14 1272 1266 1260 3 1281 1272 1266 17 1290 1281 1272 17 1299 1290 1281 18 1305 1299 1290 21 1308 1305 1299 23 1317 1305 1299 23 1317 1305 1308 23 1326 1266 1260 9 1326 1266 1272 11 1326 1332 1338 26 1329 1326 1266 27 1329 1326 1332 28 1233 1254 1260 14 1239 1233 1227 3 1248 1239 1233 6 1254 1233 1227 9 1254 1233 1239 11 1254 1260 1266 26 1257 1254 1233 27 1257 1254 1260 28 1182 1221 1227 14 1188 1182 1176 3 1197 1188 1182 17 1206 1197 1188 11 1209 1206 1197 27 1212 1206 1197 14 1212 1206 1209 28 1221 1182 1176 9 1221 1182 1188 11 1221 1227 1233 26 1224 1221 1182 27 1224 1221 1227 28 1161 1170 1176 14 1170 1161 1155 9 1170 1176 1182 26 1173 1170 1161 27 1173 1170 1176 28 1131 1149 1155 14 1137 1131 1125 3 1149 1131 1125 9 1149 1131 1137 11 1149 1155 1161 26 1152 1149 1131 27 1152 1149 1155 28 1095 1086 1083 3 1104 1095 1086 17 1104 1113 1083 3 1113 1083 1086 55 1113 1104 1095 17 1113 1119 1125 14 1119 1113 1083 9 1119 1113 1104 11 1119 1125 1131 26 1122 1119 1113 27 1122 1119 1125 28 1056 1077 1083 14 1062 1056 1050 3 1071 1062 1056 6 1077 1056 1050 9 1077 1056 1062 11 1077 1083 1086 26 1077 1083 1113 26 1080 1077 1056 27 1080 1077 1083 28 1005 1044 1050 14 1011 1005 999 3 1020 1011 1005 17 1029 1020 1011 11 1032 1029 1020 27 1035 1029 1020 14 1035 1029 1032 28 1044 1005 999 9 1044 1005 1011 11 1044 1050 1056 26 1047 1044 1005 27 1047 1044 1050 28 948 993 999 14 954 948 942 3 960 954 948 17 972 954 948 17 972 954 960 17 981 972 954 17 993 948 942 9 993 948 954 11 993 999 1005 26 996 993 948 27 996 993 999 28 897 936 942 14 903 897 891 3 912 903 897 17 921 912 903 11 924 921 912 27 927 921 912 14 927 921 924 28 936 897 891 9 936 897 903 11 936 942 948 26 939 936 897 27 939 936 942 28 840 885 891 14 846 840 834 3 855 846 840 17 861 855 846 17 873 855 846 17 873 855 861 17 885 840 834 9 885 840 846 11 885 891 897 26 888 885 840 27 888 885 891 28 777 828 834 14 783 777 771 3 792 783 777 56 795 792 783 58 801 795 792 46 807 801 795 69 810 807 801 71 816 807 801 73 816 807 810 71 816 822 792 46 822 792 783 58 822 792 795 46 822 816 807 69 828 777 771 9 828 777 783 11 828 834 840 26 831 828 777 27 831 828 834 28 747 765 771 14 753 747 741 3 765 747 741 9 765 747 753 11 765 771 777 26 768 765 747 27 768 765 771 28 696 735 741 14 702 696 690 3 711 702 696 17 720 711 702 29 723 720 711 31 735 696 690 9 735 696 702 11 735 741 747 26 738 735 696 27 738 735 741 28 633 684 690 14 639 633 627 3 648 639 633 56 651 648 639 58 657 651 648 46 663 657 651 69 666 663 657 71 672 663 657 73 672 663 666 71 672 678 648 46 678 648 639 58 678 648 651 46 678 672 663 69 684 633 627 9 684 633 639 11 684 690 696 26 687 684 633 27 687 684 690 28 597 588 585 3 606 597 588 17 606 615 585 3 615 585 588 55 615 606 597 17 615 621 627 14 621 615 585 9 621 615 606 11 621 627 633 26 624 621 615 27 624 621 627 28 519 579 585 14 525 519 513 3 534 525 519 17 543 534 525 17 552 543 534 18 558 552 543 21 561 558 552 23 570 558 552 23 570 558 561 23 579 519 513 9 579 519 525 11 579 585 588 26 579 585 615 26 582 579 519 27 582 579 585 28 486 507 513 14 492 486 480 3 501 492 486 6 507 486 480 9 507 486 492 11 507 513 519 26 510 507 486 27 510 507 513 28 432 474 480 14 438 432 426 3 447 438 432 74 450 447 438 76 456 450 447 78 462 456 450 81 462 468 447 82 468 447 438 83 468 447 450 84 468 462 456 85 474 432 426 9 474 432 438 11 474 480 486 26 477 474 432 27 477 474 480 28 396 387 384 3 405 396 387 17 405 414 384 3 414 384 387 55 414 405 396 17 414 420 426 14 420 414 384 9 420 414 405 11 420 426 432 26 423 420 414 27 423 420 426 28 318 378 384 14 324 318 312 3 333 324 318 17 342 333 324 17 351 342 333 18 357 351 342 21 360 357 351 23 369 357 351 23 369 357 360 23 378 318 312 9 378 318 324 11 378 384 387 26 378 384 414 26 381 378 318 27 381 378 384 28 285 306 312 14 291 285 279 3 300 291 285 6 306 285 279 9 306 285 291 11 306 312 318 26 309 306 285 27 309 306 312 28 240 273 279 14 246 240 234 3 255 246 240 17 264 255 246 11 267 264 255 12 270 264 255 12 270 264 267 13 273 240 234 9 273 240 246 11 273 279 285 26 276 273 240 27 276 273 279 28 168 228 234 14 174 168 162 3 183 174 168 17 192 183 174 17 201 192 183 18 207 201 192 21 210 207 201 23 219 207 201 23 219 207 210 23 228 168 162 9 228 168 174 11 228 234 240 26 231 228 168 27 231 228 234 28 147 156 162 14 156 147 141 9 156 162 168 26 159 156 147 27 159 156 162 28 126 135 141 14 135 126 120 9 135 141 147 26 138 135 126 27 138 135 141 28 69 114 120 14 75 69 63 3 81 75 69 17 93 75 69 17 93 75 81 17 102 93 75 17 114 69 63 9 114 69 75 11 114 120 126 26 117 114 69 27 117 114 120 28 12 57 63 14 18 12 0 65 24 18 12 17 36 18 12 17 36 18 24 17 45 36 18 17 57 12 0 97 57 12 18 11 57 63 69 26 60 57 12 27 60 57 63 28 10869 10866 10863 13 10872 10866 10863 12 10872 10866 10869 12 10881 10872 10866 11 10881 10890 10896 14 10890 10881 10872 11 10890 10896 10902 26 10893 10890 10881 27 10893 10890 10896 28 10902 10938 10944 14 10908 10902 10896 3 10914 10908 10902 17 10926 10908 10902 17 10926 10908 10914 17 10938 10902 10896 9 10938 10902 10908 11 10938 10944 10947 26 10938 10944 10974 26 10941 10938 10902 27 10941 10938 10944 28 10956 10947 10944 3 10965 10956 10947 17 10965 10974 10944 3 10974 10944 10947 55 10974 10965 10956 17 10974 10980 10986 14 10980 10974 10944 9 10980 10974 10965 11 10980 10986 10992 26 10983 10980 10974 27 10983 10980 10986 28 10992 11001 11007 14 11001 10992 10986 9 11001 11007 11013 26 11004 11001 10992 27 11004 11001 11007 28 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 10752 10749 10743 10746 1 10755 10749 10743 10746 1 10758 10755 10749 10743 2 10758 10755 10749 10752 2 10761 10755 10749 10743 2 10761 10755 10749 10752 2 10764 10755 10749 10752 3 10767 10764 10755 10749 3 10767 10764 -10755 10749 4 10767 10764 10755 10758 5 10767 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3243 3249 3 3255 3237 3243 3252 3 3258 3255 3237 3231 3 3258 3255 -3237 3231 4 3258 3255 3237 3240 5 3258 3255 3237 3243 3 3258 3255 -3237 3243 4 3261 3231 3225 3228 1 3261 3231 3237 3240 2 3261 3267 3273 3276 1 3264 3261 3231 3234 23 3264 3261 -3231 3234 24 3264 3261 3267 3270 10 3174 3219 3225 3228 10 3177 3174 3168 3171 1 3177 3174 3219 3225 1 3180 3174 3168 3171 1 3183 3180 3174 3168 2 3183 3180 3174 3177 2 3186 3180 3174 3177 2 3189 3186 3180 3174 4 3189 3186 3180 3183 11 3192 3186 3180 3174 4 3192 3186 3180 3183 11 3195 3186 3180 3174 4 3195 3186 3180 3183 11 3198 3180 3174 3177 2 3198 3180 3186 3189 4 3198 3180 3186 3192 4 3198 3180 3186 3195 4 3201 3198 3180 3174 4 3201 3198 3180 3183 11 3201 3198 3180 3186 4 3204 3198 3180 3174 4 3204 3198 3180 3183 11 3204 3198 3180 3186 4 3207 3198 3180 3183 4 3210 3207 3198 3180 4 3210 3207 3198 3201 11 3210 3207 3198 3204 11 3213 3207 3198 3180 4 3213 3207 3198 3201 11 3213 3207 3198 3204 11 3216 3207 3198 3180 4 3216 3207 3198 3201 11 3216 3207 3198 3204 11 3219 3174 3168 3171 1 3219 3174 3180 3183 11 3219 3225 3231 3234 1 3222 3219 3174 3177 23 3222 3219 -3174 3177 24 3222 3219 3225 3228 10 3120 3162 3168 3171 10 3123 3120 3114 3117 1 3123 3120 3162 3168 1 3126 3120 3114 3117 1 3129 3126 3120 3114 2 3129 3126 3120 3123 2 3132 3126 3120 3114 2 3132 3126 3120 3123 2 3135 3126 3120 3123 2 3138 3135 3126 3129 1 3138 3135 3126 3132 1 3141 3138 3135 3126 38 3147 3144 3138 3135 39 3147 3144 3138 3141 39 3150 3144 3138 3141 39 3153 3150 3144 3138 39 3153 3150 3144 3147 39 3153 3150 3156 3135 28 3156 3135 3126 3129 1 3156 3135 3126 3132 1 3156 3135 3138 3141 38 3156 3150 3144 3147 39 3159 3156 3135 3126 40 3159 3156 3135 3138 40 3159 3156 3150 3144 28 3159 3156 3150 3153 28 3162 3120 3114 3117 1 3162 3120 3126 3129 11 3162 3120 3126 3132 11 3162 3168 3174 3177 1 3165 3162 3120 3123 23 3165 3162 -3120 3123 24 3165 3162 3168 3171 10 3069 3108 3114 3117 10 3072 3069 3063 3066 1 3072 3069 3108 3114 1 3075 3069 3063 3066 1 3078 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3030 11 3045 3042 3033 3036 6 3045 3042 3033 3039 6 3048 3042 3033 3036 6 3048 3042 3033 3039 6 3051 3048 3042 3033 10 3051 3048 3042 3045 10 3054 3048 3042 3033 10 3054 3048 3042 3045 10 3057 3018 3012 3015 1 3057 3018 3024 3027 11 3057 3018 3024 3030 11 3057 3063 3069 3072 1 3060 3057 3018 3021 23 3060 3057 -3018 3021 24 3060 3057 3063 3066 10 2976 3006 3012 3015 10 2979 2976 2970 2973 1 2979 2976 3006 3012 1 2982 2976 2970 2973 1 2985 2982 2976 2970 2 2985 2982 2976 2979 2 2988 2982 2976 2979 2 2991 2988 2982 2976 4 2991 2988 2982 2985 2 2994 2988 2982 2976 4 2994 2988 2982 2985 2 2997 2988 2982 2976 4 2997 2988 2982 2985 2 3000 2982 2976 2979 3 3000 2982 2988 2991 3 3000 2982 2988 2994 3 3000 2982 2988 2997 3 3003 3000 2982 2976 3 3003 3000 -2982 2976 4 3003 3000 2982 2985 5 3003 3000 2982 2988 3 3003 3000 -2982 2988 4 3006 2976 2970 2973 1 3006 2976 2982 2985 2 3006 3012 3018 3021 1 3009 3006 2976 2979 23 3009 3006 -2976 2979 24 3009 3006 3012 3015 10 2934 2964 2970 2973 10 2937 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3363 3364 3365 3364 3365 3365 3366 3367 3368 3369 3367 3368 3368 0 3370 3371 3372 3373 3374 3375 3380 3371 3372 3373 3372 3373 3374 3375 3376 3377 3378 3380 3381 3382 3373 3374 3375 3380 3374 3375 3376 3377 3378 3379 3380 3381 3382 3383 3384 3375 3376 3377 3378 3380 3381 3382 3376 3377 3378 3379 3380 3381 3382 3377 3378 3379 3380 3378 3379 3380 3379 3380 0 3381 3382 3383 3384 3385 3386 3391 3382 3383 3384 3383 3384 3385 3386 3387 3388 3389 3391 3392 3393 3384 3385 3386 3391 3385 3386 3387 3388 3389 3390 3391 3392 3393 3394 3395 3386 3387 3388 3389 3391 3392 3393 3387 3388 3389 3390 3391 3392 3393 3388 3389 3390 3391 3389 3390 3391 3390 3391 0 3392 3393 3394 3395 3396 3397 3411 3393 3394 3395 3394 3395 3396 3397 3398 3399 3400 3411 3412 3413 3395 3396 3397 3411 3396 3397 3398 3399 3400 3401 3409 3411 3412 3413 3414 3415 3397 3398 3399 3400 3411 3412 3413 3398 3399 3400 3401 3402 3403 3407 3409 3410 3411 3412 3413 3399 3400 3401 3409 3411 3400 3401 3409 3411 3401 3402 3403 3404 3405 3407 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3441 3442 3443 3444 3438 3439 3440 3441 3442 3439 3440 3441 3442 3440 3441 3442 3443 3444 3445 3446 3441 3442 3443 3444 3442 3443 3444 3443 3444 3445 3446 3447 3448 3444 3445 3446 3445 3446 3447 3448 3449 3450 3468 3446 3447 3448 3447 3448 3449 3450 3451 3452 3453 3468 3469 3470 3448 3449 3450 3468 3449 3450 3451 3452 3453 3454 3467 3468 3469 3470 3471 3472 3450 3451 3452 3453 3468 3469 3470 3451 3452 3453 3454 3455 3456 3458 3465 3467 3468 3469 3470 3452 3453 3454 3467 3468 3453 3454 3467 3468 3454 3455 3456 3457 3458 3459 3463 3465 3466 3467 3468 3455 3456 3457 3458 3459 3465 3467 3456 3457 3458 3467 3457 3458 3459 3460 3461 3465 3467 3458 3459 3467 3459 3460 3461 3462 3463 3465 3466 3467 3460 3461 3462 3463 3464 3465 3467 3461 3462 3463 3467 3462 3463 3464 3465 3466 3467 3463 3464 3465 3464 3465 3466 3467 3465 3466 3467 3466 3467 3467 0 3469 3470 3471 3472 3473 3474 3487 3470 3471 3472 3471 3472 3473 3474 3475 3476 3480 3487 3488 3489 3472 3473 3474 3487 3473 3474 3475 3476 3477 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3507 3508 3508 3509 3510 3510 0 3512 3513 3514 3515 3516 3517 3525 3513 3514 3515 3514 3515 3516 3517 3518 3519 3523 3525 3526 3527 3515 3516 3517 3525 3516 3517 3518 3519 3520 3521 3522 3523 3524 3525 3526 3527 3528 3529 3517 3518 3519 3523 3525 3526 3527 3518 3519 3520 3521 3522 3523 3524 3525 3526 3527 3519 3520 3521 3522 3523 3524 3525 3520 3521 3522 3523 3524 3525 3521 3522 3523 3522 3523 3523 3524 3525 0 3526 3527 3528 3529 3530 3531 3539 3527 3528 3529 3528 3529 3530 3531 3532 3533 3537 3539 3540 3541 3529 3530 3531 3539 3530 3531 3532 3533 3534 3535 3536 3537 3538 3539 3540 3541 3542 3543 3531 3532 3533 3537 3539 3540 3541 3532 3533 3534 3535 3536 3537 3538 3539 3540 3541 3533 3534 3535 3536 3537 3538 3539 3534 3535 3536 3537 3538 3539 3535 3536 3537 3536 3537 3537 3538 3539 0 3540 3541 3542 3543 3544 3545 3556 3541 3542 3543 3542 3543 3544 3545 3546 3547 3548 3556 3557 3558 3543 3544 3545 3556 3544 3545 3546 3547 3548 3549 3550 3551 3556 3557 3558 3559 3560 3545 3546 3547 3548 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3586 3587 3588 3589 3590 3591 3592 3593 3586 3587 3588 3589 3591 3592 3593 3587 3588 3589 3590 3591 3592 3593 3588 3589 3590 3591 3589 3590 3591 3590 3591 0 3592 3593 3593 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3623 3624 3625 3626 3627 3628 3624 3625 3626 3627 3628 3629 3630 3631 3625 3626 3627 3628 3626 3627 3628 3629 3630 3631 3632 3633 3627 3628 3629 3630 3631 3628 3629 3630 3631 3629 3630 3631 3632 3633 3634 3635 3630 3631 3632 3633 3631 3632 3633 3632 3633 3634 3635 3636 3637 3647 3633 3634 3635 3634 3635 3636 3637 3638 3639 3643 3647 3648 3649 3635 3636 3637 3647 3636 3637 3638 3639 3640 3641 3642 3643 3644 3645 3646 3647 3648 3649 3650 3659 3637 3638 3639 3643 3647 3648 3649 3638 3639 3640 3641 3642 3643 3644 3645 3646 3647 3648 3649 3639 3640 3641 3642 3643 3644 3645 3646 3647 3640 3641 3642 3643 3644 3645 3646 3647 3641 3642 3643 3642 3643 3643 3644 3645 3646 3647 3645 3646 3646 0 3648 3649 3650 3651 3652 3653 3656 3659 3660 3661 3649 3650 3659 3650 3651 3652 3653 3654 3655 3656 3657 3658 3659 3660 3661 3662 3663 3651 3652 3653 3654 3655 3656 3657 3658 3659 3660 3661 3652 3653 3654 3655 3656 3659 3653 3654 3655 3656 3659 3654 3655 3656 3657 3658 3659 3660 3661 3655 3656 3657 3658 3659 3656 3657 3658 3659 3657 3658 3659 3660 3661 3662 3663 3658 3659 3660 3661 3659 3660 3661 3660 3661 3662 3663 3664 3665 3661 3662 3663 3662 3663 3664 3665 3666 3667 3668 3663 3664 3665 3664 3665 3666 3667 3668 3669 3670 3665 3666 3667 3668 3666 3667 3668 3669 3670 3671 3672 3667 3668 3669 3670 3668 3669 3670 3669 3670 3671 3672 3673 3674 3675 3670 3671 3672 3671 3672 3673 3674 3675 3672 3673 3674 3675 3673 3674 3675 3674 3675 3675 0 3677 3678 3678 0 3680 3681 3681 0 3683 3684 3684 0 3686 3687 3687 0 3689 3690 3690 0 3692 3693 3693 0 3695 3696 3696 0 3698 3699 3699 0 3701 3702 3702 0 3704 3705 3705 0 3707 3708 3708 0 3710 3711 3711 0 3713 3714 3714 0 3716 3717 3717 0 3719 3720 3720 0 3722 3723 3723 0 3725 3726 3726 0 3728 3729 3729 0 3731 3732 3732 0 3734 3735 3735 0 3737 3738 3738 0 3740 3741 3741 0 3743 3744 3744 0 3746 3747 3747 0 3749 3750 3750 0 3752 3753 3753 0 3755 3756 3756 0 3758 3759 3759 0 3761 3762 3762 0 3764 3765 3765 0 3767 3768 3768 0 3770 3771 3771 0 3773 3774 3774 0 3776 3777 3777 0 3779 3780 3780 0 3782 3783 3783 0 3785 3786 3786 0 3788 3789 3789 0 3791 3792 3792 0 3794 3795 3795 0 3797 3798 3798 0 3800 3801 3801 0 3803 3804 3804 0 3806 3807 3807 0 3809 3810 3810 0 3812 3813 3813 0 3815 3816 3816 0 3818 3819 3819 0 3821 3822 3822 0 3824 3825 3825 0 3827 3828 3828 0 3830 3831 3831 0 3833 3834 3834 0 3836 3837 3837 0 3839 3840 3840 0 3842 3843 3843 0 3845 3846 3846 0 3848 3849 3849 0 3851 3852 3852 0 3854 3855 3855 0 3857 3858 3858 0 3860 3861 3861 0 3863 3864 3864 0 3866 3867 3867 0 3869 3870 3870 0 3872 3873 3873 0 3875 3876 3876 0 3878 3879 3879 0 3881 3882 3882 0 3884 3885 3885 0 3887 3888 3888 0 3890 3891 3891 0 3893 3894 3894 0 3896 3897 3897 0 3899 3900 3900 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) 0.00000000E+00 %FLAG HBOND_BCOEF %FORMAT(5E16.8) 0.00000000E+00 %FLAG HBCUT %FORMAT(5E16.8) 0.00000000E+00 %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) N3 H H H CT HP CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H0 H0 C O N H CT H0 H0 C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CC NA H CR H5 NA H CW H4 C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CT H1 CT HC HC CT H1 H1 S CT H1 H1 H1 C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT H1 H1 OH HO C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC HC C O N H CT H0 H0 C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT H1 H1 S C O N H CT H0 H0 C O N H CT H0 H0 C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC C O2 O2 C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CC NA H CR H5 NB CV H4 C O N H CT H1 CT H1 H1 S C O N H CT H1 CT HC HC C* CW H4 NA H CN CA HA CA HA CA HA CA HA CB C O N H CT H0 H0 C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H0 H0 C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CC NA H CR H5 NA H CW H4 C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC HC CC NA H CR H5 NA H CW H4 C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CC NA H CR H5 NA H CW H4 C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC HC C O2 O2 C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC CT H1 H1 S CT H1 H1 H1 C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC C O N H H C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H0 H0 C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H0 H0 C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT H1 H1 S C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC HC C O N H CT H0 H0 C O N H CT H1 CT HC HC C* CW H4 NA H CN CA HA CA HA CA HA CA HA CB C O N H CT H0 H0 C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CT H1 H1 S CT H1 H1 H1 C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H0 H0 C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC C O2 O2 C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC C O2 O2 C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT H1 H1 S C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H0 H0 C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CT H1 CT HC HC C O2 O2 C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT H1 H1 S C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H0 H0 C O N H CT H1 CT HC HC C O2 O2 C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H0 H0 C O N H CT H1 CT HC HC C O2 O2 C O N H CT H1 CT H1 H1 OH HO C O N H CT H0 H0 C O N H CT H0 H0 C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT H1 H1 S C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CC NA H CR H5 NA H CW H4 C O N H CT H0 H0 C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CT H0 H0 C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT H1 H1 OH HO C O N H CT H0 H0 C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC C* CW H4 NA H CN CA HA CA HA CA HA CA HA CB C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC CT H1 H1 S CT H1 H1 H1 C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT H1 H1 OH HO C O2 O2 IM IM IM IM IM IM IM IM IM IM IM IM IM IM IM IM IM IM IM IM IM IM IM IM IM IM IM IM O2 C O2 CT HC HC CT HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H0 H0 C O N H CT H1 H1 H1 OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW %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 M E M E 3 E 3 E E E 3 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 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 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 3 E E 3 E E B E E M 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 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 3 E E 3 E E B E E M 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 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 3 E E B 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 3 E E B E B E E M E M E M E 3 E 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 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 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 E M E M E M 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 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 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 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 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 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 E M E M E M E 3 E E B S E S E S B 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 S B E B E B E S E E M E M E M E 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 3 E E E 3 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 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 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 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 3 E E B E B 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 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 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 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 S 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 B E B B E E B 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 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 B E B B E E B E E M E M E M E 3 E E B S E S E B E B 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 E B B E B E B S 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 3 E E B E B 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 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 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 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 3 E E S 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 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 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 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 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 3 E E B E B B 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 E 3 E E B E B B 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 3 E E E M E M E M E 3 E E B E B 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 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 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 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 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 3 E E 3 E E B E E M 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 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 E M E M E M 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 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 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 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 3 E E B E B B E 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 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 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 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 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 E B E B 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 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 B 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 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 B E B E B E S E S E M E M E M 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 3 E E 3 E E B E E M 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 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 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 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 B 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 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 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 3 E E 3 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 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 3 E E 3 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 E S E M E M E M 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 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 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 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 S E S E B E B E M E M E M 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 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 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 S 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 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 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 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 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 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 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 B B E B E S B E B E B E S 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 B E B B 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 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 E 3 E E 3 E E B E B B E E B E E M E BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA M M M M M M M M M M M M M M M M M M M M M M M M M M M M BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA M E M 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 E M E M E M E E E 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 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 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 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 %FLAG JOIN_ARRAY %FORMAT(10I8) 0 0 0 0 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