%VERSION VERSION_STAMP = V0001.000 DATE = 05/18/05 15:28:37 %FLAG TITLE %FORMAT(20a4) %FLAG POINTERS %FORMAT(10I8) 4104 15 2060 2076 4668 2819 8735 6030 0 0 22572 266 2076 2819 6030 67 139 59 45 0 0 0 0 0 0 0 0 0 32 0 0 %FLAG ATOM_NAME %FORMAT(20a4) N H1 H2 H3 CA HA CB HB2 HB3 OG HG C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21 HE22C O N H CA HA CB HB2 HB3 CG HG CD1 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2 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 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 16 7 12 9 8 3 2 1 4 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 10 7 6 3 2 1 7 3 7 4 7 4 3 7 3 10 4 10 7 6 3 2 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 10 7 6 3 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 12 7 8 5 4 3 1 1 7 3 10 4 10 7 6 3 2 1 7 3 7 4 7 4 3 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 13 7 11 6 5 6 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 10 5 4 9 5 4 6 5 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 12 7 12 5 4 8 6 4 4 2 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 12 7 12 5 4 8 6 4 4 2 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 10 7 6 3 2 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 7 4 7 4 3 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 7 4 7 4 3 7 3 10 4 13 7 11 6 5 6 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 10 7 6 3 2 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 7 4 7 4 3 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 10 7 6 3 2 1 7 3 7 4 7 4 3 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 10 7 6 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 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 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 12 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 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 13 7 15 6 5 10 8 7 3 2 1 3 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 12 7 12 5 4 11 7 4 7 3 8 7 4 6 3 4 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 13 7 11 6 5 6 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 12 7 10 5 4 5 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 10 7 6 3 2 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 7 4 7 4 3 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 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 14 7 10 7 6 3 2 1 2 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 10 7 6 3 2 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 13 7 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 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 11 7 7 4 3 2 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 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 11 7 7 4 3 2 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 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 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 12 7 12 5 4 11 7 4 7 3 8 7 4 6 3 4 3 2 1 1 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 12 7 8 5 4 3 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 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 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 11 7 7 4 3 2 1 7 3 10 4 16 7 12 9 8 3 2 1 4 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 10 7 6 3 2 1 7 3 7 4 7 4 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 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 7 4 7 4 3 7 3 10 4 10 7 6 3 2 1 7 3 7 4 7 4 3 7 3 10 4 13 7 11 6 5 6 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 7 4 7 4 3 7 3 10 4 10 7 6 3 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 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 10 7 6 3 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 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 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 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 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 7 3 6 4 1 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 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 14 7 10 7 6 3 2 1 2 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 10 7 6 3 2 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 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 10 5 4 5 3 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 10 7 6 3 2 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 7 4 7 4 3 7 3 10 4 10 7 6 3 2 1 7 3 10 4 10 7 6 3 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 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 12 7 12 5 4 8 6 4 4 2 2 1 1 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 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 11 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 2 1 1 10 6 5 3 3 5 7 15 5 4 17 11 4 3 2 12 6 5 10 6 6 4 3 5 2 5 5 3 3 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 56 67 79 92 106 2 3 5 8 12 17 23 30 38 47 57 68 80 93 107 4 5 6 9 13 18 24 31 39 48 58 69 81 94 108 7 8 9 10 14 19 25 32 40 49 59 70 82 95 109 11 12 13 14 15 20 26 33 41 50 60 71 83 96 110 16 17 18 19 20 21 27 34 42 51 61 72 84 97 111 22 23 24 25 26 27 28 35 43 52 62 73 85 98 112 29 30 31 32 33 34 35 36 44 53 63 74 86 99 113 37 38 39 40 41 42 43 44 45 54 64 75 87 100 114 46 47 48 49 50 51 52 53 54 55 65 76 88 101 115 56 57 58 59 60 61 62 63 64 65 66 77 89 102 116 67 68 69 70 71 72 73 74 75 76 77 78 90 103 117 79 80 81 82 83 84 85 86 87 88 89 90 91 104 118 92 93 94 95 96 97 98 99 100 101 102 103 104 105 119 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 %FLAG RESIDUE_LABEL %FORMAT(20a4) SER PRO GLN PRO LEU GLU GLN ILE LYS LEU SER GLU SER GLN LEU SER GLY ARG VAL GLY MET ILE GLU MET ASP LEU ALA SER GLY ARG THR LEU THR ALA TRP ARG ALA ASP GLU ARG PHE PRO MET MET SER THR PHE LYS VAL VAL LEU CYX GLY ALA VAL LEU ALA ARG VAL ASP ALA GLY ASP GLU GLN LEU GLU ARG LYS ILE HID TYR ARG GLN GLN ASP LEU VAL ASP TYR SER PRO VAL SER GLU LYS HID LEU ALA ASP GLY MET THR VAL GLY GLU LEU CYX ALA ALA ALA ILE THR MET SER ASP ASN SER ALA ALA ASN LEU LEU LEU ALA THR VAL GLY GLY PRO ALA GLY LEU THR ALA PHE LEU ARG GLN ILE GLY ASP ASN VAL THR ARG LEU ASP ARG TRP GLU THR GLU LEU ASN GLU ALA LEU PRO GLY ASP ALA ARG ASP THR THR THR PRO ALA SER MET ALA ALA THR LEU ARG LYS LEU LEU THR SER GLN ARG LEU SER ALA ARG SER GLN ARG GLN LEU LEU GLN TRP MET VAL ASP ASP ARG VAL ALA GLY PRO LEU ILE ARG SER VAL LEU PRO ALA GLY TRP PHE ILE ALA ASP LYS THR GLY ALA GLY GLU ARG GLY ALA ARG GLY ILE VAL ALA LEU LEU GLY PRO ASN ASN LYS ALA GLU ARG ILE VAL VAL ILE TYR LEU ARG ASP THR PRO ALA SER MET ALA GLU ARG ASN GLN GLN ILE ALA GLY ILE GLY ALA ALA LEU ILE GLU HID TRP GLN ARG TAZ %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 14 28 45 59 78 93 110 129 151 170 181 196 207 224 243 254 261 285 301 308 325 344 359 376 388 407 417 428 435 459 473 492 506 516 540 564 574 586 601 625 645 659 676 693 704 718 738 760 776 792 811 821 828 838 854 873 883 907 923 935 945 952 964 979 996 1015 1030 1054 1076 1095 1112 1133 1157 1174 1191 1203 1222 1238 1250 1271 1282 1296 1312 1323 1338 1360 1377 1396 1406 1418 1425 1442 1456 1472 1479 1494 1513 1523 1533 1543 1553 1572 1586 1603 1614 1626 1640 1651 1661 1671 1685 1704 1723 1742 1752 1766 1782 1789 1796 1810 1820 1827 1846 1860 1870 1890 1909 1933 1950 1969 1976 1988 2002 2018 2032 2056 2075 2087 2111 2135 2150 2164 2179 2198 2212 2227 2237 2256 2270 2277 2289 2299 2323 2335 2349 2363 2377 2391 2401 2412 2429 2439 2449 2463 2482 2506 2528 2547 2566 2580 2591 2608 2632 2651 2662 2672 2696 2707 2724 2748 2765 2784 2803 2820 2844 2861 2877 2889 2901 2925 2941 2951 2958 2972 2991 3010 3034 3045 3061 3080 3094 3104 3111 3135 3155 3174 3184 3196 3218 3232 3239 3249 3256 3271 3295 3302 3312 3336 3343 3362 3378 3388 3407 3426 3433 3447 3461 3475 3497 3507 3522 3546 3565 3581 3597 3616 3637 3656 3680 3692 3706 3720 3730 3741 3758 3768 3783 3807 3821 3838 3855 3874 3884 3891 3910 3917 3927 3937 3956 3975 3990 4007 4031 4048 4073 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.70000000E+02 4.90000000E+02 5.53000000E+02 3.40000000E+02 3.20000000E+02 3.40000000E+02 3.10000000E+02 3.17000000E+02 4.34000000E+02 3.67000000E+02 3.40000000E+02 3.37000000E+02 4.34000000E+02 6.56000000E+02 3.40000000E+02 4.34000000E+02 4.81000000E+02 3.37000000E+02 2.27000000E+02 3.67000000E+02 4.69000000E+02 4.69000000E+02 4.69000000E+02 4.47000000E+02 4.34000000E+02 4.28000000E+02 3.67000000E+02 4.27000000E+02 5.46000000E+02 3.88000000E+02 3.17000000E+02 3.17000000E+02 3.67000000E+02 4.10000000E+02 3.67000000E+02 4.88000000E+02 4.77000000E+02 4.22000000E+02 5.12000000E+02 3.17000000E+02 4.50000000E+02 4.69000000E+02 3.69600000E+02 4.66400000E+02 6.48000000E+02 3.35900000E+02 3.28300000E+02 3.30600000E+02 4.78200000E+02 3.34500000E+02 3.08500000E+02 3.26400000E+02 2.86800000E+02 3.30600000E+02 5.41100000E+02 2.54000000E+02 3.37300000E+02 3.03100000E+02 2.54000000E+02 3.34700000E+02 5.35700000E+02 6.02900000E+02 3.50100000E+02 4.31600000E+02 3.50100000E+02 5.04000000E+02 4.38800000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.22900000E+00 1.33500000E+00 9.60000000E-01 1.09000000E+00 1.41000000E+00 1.09000000E+00 1.52600000E+00 1.52200000E+00 1.01000000E+00 1.47100000E+00 1.09000000E+00 1.44900000E+00 1.01000000E+00 1.25000000E+00 1.09000000E+00 1.01000000E+00 1.34000000E+00 1.46300000E+00 1.81000000E+00 1.08000000E+00 1.40400000E+00 1.40000000E+00 1.40000000E+00 1.41900000E+00 1.01000000E+00 1.38000000E+00 1.08000000E+00 1.38100000E+00 1.35200000E+00 1.45900000E+00 1.49500000E+00 1.51000000E+00 1.08000000E+00 1.39400000E+00 1.08000000E+00 1.33500000E+00 1.34300000E+00 1.38500000E+00 1.37500000E+00 1.50400000E+00 1.36400000E+00 1.40900000E+00 9.74000000E-01 1.30600000E+00 1.21400000E+00 1.09300000E+00 1.50800000E+00 1.46000000E+00 1.34500000E+00 1.09400000E+00 1.52900000E+00 1.10000000E+00 1.55400000E+00 1.46000000E+00 1.43600000E+00 1.77400000E+00 1.09200000E+00 1.53500000E+00 1.77400000E+00 1.45600000E+00 1.35000000E+00 1.31500000E+00 1.08300000E+00 1.37600000E+00 1.08300000E+00 1.37100000E+00 1.37100000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 8.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 6.30000000E+01 5.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 8.00000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 6.30000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 7.00000000E+01 3.50000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 3.50000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 6.20000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 7.74000000E+01 5.12000000E+01 4.76000000E+01 6.98000000E+01 6.80000000E+01 4.98000000E+01 6.67000000E+01 7.58000000E+01 6.39000000E+01 4.57000000E+01 3.92000000E+01 6.49000000E+01 6.41000000E+01 6.76190000E+01 4.48000000E+01 5.00000000E+01 4.48000000E+01 7.14000000E+01 6.39000000E+01 6.40000000E+01 6.66000000E+01 7.46000000E+01 6.24000000E+01 4.38000000E+01 6.24000000E+01 6.84580000E+01 3.94000000E+01 6.32000000E+01 4.64000000E+01 6.66000000E+01 6.14000000E+01 6.59000000E+01 4.64000000E+01 6.38000000E+01 3.92000000E+01 4.99000000E+01 6.58000000E+01 6.57000000E+01 7.60000000E+01 5.00000000E+01 7.29000000E+01 7.25000000E+01 4.72000000E+01 5.02000000E+01 4.72000000E+01 7.10000000E+01 7.02000000E+01 6.26000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 2.14501057E+00 2.12755727E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 1.89368305E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.10137732E+00 2.03505478E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.94080696E+00 2.09439600E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.05948940E+00 1.91113635E+00 1.91462701E+00 1.92160833E+00 2.09439600E+00 1.91113635E+00 2.06018753E+00 2.19911580E+00 2.04203610E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 2.06647072E+00 2.15024656E+00 1.94080696E+00 1.91113635E+00 1.72613137E+00 2.00189351E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.14151991E+00 2.09439600E+00 2.09439600E+00 2.02807346E+00 2.14850123E+00 2.31779824E+00 1.82212452E+00 2.09439600E+00 1.85703112E+00 2.09439600E+00 1.94778828E+00 2.09439600E+00 1.89717371E+00 1.89891904E+00 2.35445017E+00 1.91113635E+00 2.18166250E+00 2.24449438E+00 2.01760148E+00 1.91113635E+00 2.09439600E+00 1.98967620E+00 2.09439600E+00 2.09439600E+00 2.04203610E+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 1.91113635E+00 2.09439600E+00 2.09439600E+00 1.97396823E+00 2.09439600E+00 1.97222290E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.14466150E+00 1.87396082E+00 1.87902228E+00 1.95826026E+00 2.14867576E+00 1.90799476E+00 1.94709015E+00 2.12982620E+00 2.11795796E+00 1.98705821E+00 1.90310783E+00 1.95703853E+00 2.36911094E+00 1.76496496E+00 2.00957296E+00 1.89036692E+00 2.00957296E+00 1.50011114E+00 2.11795796E+00 1.96559065E+00 1.89054146E+00 2.09125441E+00 1.95302427E+00 1.89228679E+00 1.95302427E+00 1.96838317E+00 1.89106506E+00 1.93085858E+00 1.92073567E+00 1.89054146E+00 1.79472284E+00 1.95703853E+00 1.92108473E+00 1.92911325E+00 1.91200902E+00 1.91026369E+00 1.96506705E+00 2.10242452E+00 1.84079955E+00 2.09491960E+00 1.90974009E+00 1.88390920E+00 2.25339556E+00 2.08846188E+00 2.25339556E+00 2.00678043E+00 1.97257197E+00 2.18323330E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 2.50000000E+00 0.00000000E+00 3.53700000E-01 8.83600000E-01 2.27000000E-01 1.01590000E+00 3.45100000E-01 2.25900000E-01 1.55555556E-01 1.66666667E-01 7.78400000E-01 6.57000000E-02 5.60000000E-02 2.50000000E-01 1.60000000E-01 2.00000000E+00 8.00000000E-01 8.00000000E-02 1.50000000E-01 2.00000000E-01 2.50000000E-01 1.80000000E-01 6.83900000E-01 1.45370000E+00 4.61500000E-01 4.57500000E-01 1.25580000E+00 1.06070000E+00 1.10000000E-02 2.40000000E+00 0.00000000E+00 3.33333333E-01 3.62500000E+00 3.00000000E+00 3.50000000E+00 1.52500000E+00 6.52500000E+00 1.50000000E+00 1.67500000E+00 5.00000000E+00 1.40000000E+00 2.32500000E+00 5.15000000E+00 2.30000000E+00 1.90000000E+00 0.00000000E+00 8.50000000E-01 1.44444444E-01 1.44000000E-01 5.30000000E-01 1.50000000E-01 5.00000000E-01 4.00000000E+00 4.80000000E+00 4.75000000E+00 1.70000000E+00 1.05000000E+01 1.00000000E+00 1.10000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 2.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 3.00000000E+00 1.00000000E+00 1.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 2.00000000E+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 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+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 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 6.20665997E+04 5.94667300E+01 6.78771368E+04 8.79040886E+02 3.25969625E+03 7.44975864E+05 1.40467023E+03 7.91544157E+05 1.45985502E+04 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 8.82619071E+05 2.27577561E+03 9.24822270E+05 2.01619733E+04 6.01816484E+04 7.01803794E+05 0.00000000E+00 8.19971662E+05 6.06829342E+05 1.02595236E+03 6.47841731E+05 1.12780457E+04 3.69471530E+04 4.71003287E+05 0.00000000E+00 5.74393458E+05 3.79876399E+05 8.96776989E+04 1.07193646E+02 9.71708117E+04 1.41077189E+03 4.98586848E+03 6.82786631E+04 0.00000000E+00 8.61541883E+04 5.44261042E+04 7.51607703E+03 2.01562190E+06 5.97860700E+03 2.09861767E+06 4.93469320E+04 1.42791446E+05 1.61587928E+06 0.00000000E+00 1.86068943E+06 1.32911052E+06 2.02461849E+05 4.19430400E+06 6.58473870E+04 6.63368273E+01 7.18621074E+04 9.55000044E+02 3.50301067E+03 4.96707306E+04 0.00000000E+00 6.37148278E+04 3.93690817E+04 5.34045360E+03 1.50848032E+05 3.76169105E+03 7.91627154E+04 8.90987508E+01 8.59947003E+04 1.21014911E+03 4.33325458E+03 6.00750218E+04 0.00000000E+00 7.62451550E+04 4.77908183E+04 6.55825601E+03 1.79647996E+05 4.64559155E+03 5.71629601E+03 5.46147253E+04 4.90239937E+01 5.98885646E+04 7.50063100E+02 2.82099197E+03 4.09427581E+04 0.00000000E+00 5.30987710E+04 3.23283631E+04 4.33325458E+03 1.26338489E+05 3.03448006E+03 3.76169105E+03 2.43828624E+03 4.24594555E+04 3.20009193E+01 4.68930885E+04 5.37190941E+02 2.09814978E+03 3.15360051E+04 0.00000000E+00 4.15766412E+04 2.47595516E+04 3.25969625E+03 9.96589437E+04 2.26273716E+03 2.82099197E+03 1.80748014E+03 1.32801250E+03 %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 1.13252061E+02 1.93248820E+00 1.06076943E+02 7.42992380E+00 1.43076527E+01 7.50714425E+02 1.79702257E+01 6.93079947E+02 5.79323581E+01 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 6.53361429E+02 1.82891803E+01 5.99015525E+02 5.44372326E+01 9.40505980E+01 6.14502845E+02 0.00000000E+00 5.31102864E+02 6.77220874E+02 1.53505284E+01 6.26720080E+02 5.08951803E+01 9.21192136E+01 6.29300710E+02 0.00000000E+00 5.55666448E+02 5.64885984E+02 1.36131731E+02 2.59456373E+00 1.26919150E+02 9.41257003E+00 1.76949863E+01 1.25287818E+02 0.00000000E+00 1.12529845E+02 1.11805549E+02 2.17257828E+01 1.28923404E+03 3.87070358E+01 1.17824605E+03 1.11203892E+02 1.89165096E+02 1.21753341E+03 0.00000000E+00 1.04466382E+03 1.10369829E+03 2.25248294E+02 2.04800000E+03 1.15327881E+02 2.01792524E+00 1.07908863E+02 7.65648470E+00 1.46638650E+01 1.05648788E+02 0.00000000E+00 9.56748258E+01 9.40124296E+01 1.81057616E+01 1.92224012E+02 1.50233639E+01 1.26451907E+02 2.33864085E+00 1.18043746E+02 8.61880722E+00 1.63092814E+01 1.16187983E+02 0.00000000E+00 1.04660679E+02 1.03580945E+02 2.00642027E+01 2.09772716E+02 1.66953734E+01 1.85196588E+01 1.05031585E+02 1.73473071E+00 9.85097219E+01 6.78541827E+00 1.31591746E+01 9.59185913E+01 0.00000000E+00 8.73413012E+01 8.51921330E+01 1.63092814E+01 1.75916126E+02 1.34932874E+01 1.50233639E+01 1.20953369E+01 9.36708259E+01 1.41762397E+00 8.81685417E+01 5.80823477E+00 1.14788417E+01 8.51470647E+01 0.00000000E+00 7.81725398E+01 7.54103785E+01 1.43076527E+01 1.58033097E+02 1.17854122E+01 1.31591746E+01 1.05333009E+01 9.13231543E+00 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 27 30 3 18 21 4 18 24 4 12 15 6 0 3 9 0 6 9 0 9 9 69 72 4 60 63 11 60 66 11 51 54 11 51 57 11 42 45 4 42 48 4 117 120 13 117 123 13 102 105 11 102 108 11 93 96 11 93 99 11 87 90 4 81 84 13 162 165 4 153 156 11 153 159 11 144 147 11 144 150 11 135 138 4 135 141 4 213 216 11 213 219 11 213 222 11 201 204 11 201 207 11 201 210 11 195 198 11 186 189 11 186 192 11 180 183 4 174 177 13 252 255 11 252 258 11 243 246 11 243 249 11 237 240 4 231 234 13 312 315 13 312 318 13 297 300 11 297 303 11 288 291 11 288 294 11 282 285 4 276 279 13 366 369 11 366 372 11 366 375 11 357 360 11 357 363 11 345 348 11 345 351 11 345 354 11 339 342 11 333 336 4 327 330 13 432 435 9 432 438 9 432 441 9 423 426 6 423 429 6 414 417 11 414 420 11 405 408 11 405 411 11 396 399 11 396 402 11 390 393 4 384 387 13 489 492 11 489 495 11 489 498 11 477 480 11 477 483 11 477 486 11 471 474 11 462 465 11 462 468 11 456 459 4 450 453 13 528 531 3 519 522 4 519 525 4 513 516 4 507 510 13 561 564 11 561 567 11 552 555 11 552 558 11 546 549 4 540 543 13 606 609 3 597 600 4 597 603 4 591 594 4 585 588 13 654 657 13 654 660 13 639 642 11 639 645 11 630 633 11 630 636 11 624 627 4 618 621 13 708 711 11 708 714 11 708 717 11 696 699 11 696 702 11 696 705 11 690 693 11 681 684 11 681 687 11 675 678 4 669 672 13 747 750 3 738 741 4 738 744 4 732 735 4 726 729 13 765 768 15 765 771 15 759 762 13 837 840 16 837 843 16 828 831 16 828 834 16 819 822 16 810 813 4 810 816 4 801 804 11 801 807 11 792 795 11 792 798 11 786 789 4 780 783 13 882 885 11 882 888 11 882 891 11 870 873 11 870 876 11 870 879 11 864 867 11 858 861 4 852 855 13 906 909 15 906 912 15 900 903 13 954 957 4 954 960 4 954 963 4 942 945 4 942 948 4 933 936 11 933 939 11 927 930 4 921 924 13 1011 1014 11 1011 1017 11 1011 1020 11 1002 1005 11 1002 1008 11 990 993 11 990 996 11 990 999 11 984 987 11 978 981 4 972 975 13 1050 1053 11 1050 1056 11 1041 1044 11 1041 1047 11 1035 1038 4 1029 1032 13 1107 1110 4 1107 1113 4 1107 1116 4 1095 1098 4 1095 1101 4 1086 1089 11 1086 1092 11 1080 1083 4 1074 1077 13 1137 1140 11 1137 1143 11 1131 1134 4 1125 1128 13 1200 1203 11 1200 1206 11 1200 1209 11 1188 1191 11 1188 1194 11 1188 1197 11 1182 1185 11 1173 1176 11 1173 1179 11 1167 1170 4 1161 1164 13 1230 1233 11 1230 1236 11 1230 1239 11 1224 1227 4 1218 1221 13 1269 1272 3 1260 1263 4 1260 1266 4 1254 1257 4 1248 1251 13 1287 1290 15 1287 1293 15 1281 1284 13 1359 1362 16 1359 1365 16 1350 1353 16 1350 1356 16 1341 1344 16 1332 1335 4 1332 1338 4 1323 1326 11 1323 1329 11 1314 1317 11 1314 1320 11 1308 1311 4 1302 1305 13 1404 1407 3 1392 1395 11 1392 1398 11 1392 1401 11 1386 1389 4 1380 1383 4 1374 1377 13 1455 1458 11 1455 1461 11 1455 1464 11 1443 1446 11 1443 1449 11 1443 1452 11 1437 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2403 11 2400 2406 11 2400 2409 11 2394 2397 11 2385 2388 11 2385 2391 11 2379 2382 4 2373 2376 13 2442 2445 4 2442 2448 4 2436 2439 4 2430 2433 13 2466 2469 15 2466 2472 15 2460 2463 13 2493 2496 11 2493 2499 11 2493 2502 11 2487 2490 4 2481 2484 13 2541 2544 11 2541 2547 11 2541 2550 11 2529 2532 11 2529 2535 11 2529 2538 11 2523 2526 11 2517 2520 4 2511 2514 13 2598 2601 11 2598 2604 11 2598 2607 11 2586 2589 11 2586 2592 11 2586 2595 11 2580 2583 11 2571 2574 11 2571 2577 11 2565 2568 4 2559 2562 13 2628 2631 11 2628 2634 11 2628 2637 11 2622 2625 4 2616 2619 13 2703 2706 16 2703 2709 16 2694 2697 16 2694 2700 16 2685 2688 16 2676 2679 4 2676 2682 4 2667 2670 11 2667 2673 11 2658 2661 11 2658 2664 11 2652 2655 4 2646 2649 13 2748 2751 11 2748 2754 11 2748 2757 11 2736 2739 11 2736 2742 11 2736 2745 11 2730 2733 11 2724 2727 4 2718 2721 13 2778 2781 11 2778 2784 11 2772 2775 4 2766 2769 13 2814 2817 11 2814 2820 11 2814 2823 11 2808 2811 4 2802 2805 13 2838 2841 15 2838 2844 15 2832 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3825 4 3822 3828 4 3816 3819 4 3810 3813 13 3873 3876 4 3864 3867 11 3864 3870 11 3855 3858 11 3855 3861 11 3846 3849 4 3846 3852 4 3915 3918 11 3915 3921 11 3915 3924 11 3903 3906 11 3903 3909 11 3903 3912 11 3897 3900 11 3891 3894 4 3885 3888 13 3954 3957 3 3945 3948 4 3945 3951 4 3939 3942 4 3933 3936 13 3987 3990 11 3987 3993 11 3978 3981 11 3978 3984 11 3972 3975 4 3966 3969 13 4059 4062 9 4059 4065 9 4059 4068 9 4050 4053 6 4050 4056 6 4041 4044 11 4041 4047 11 4032 4035 11 4032 4038 11 4023 4026 11 4023 4029 11 4017 4020 4 4011 4014 13 4116 4119 33 4107 4110 35 4101 4104 25 4089 4092 11 4089 4095 11 4083 4086 4 4077 4080 13 4167 4170 11 4167 4173 11 4167 4176 11 4155 4158 11 4155 4161 11 4155 4164 11 4149 4152 11 4140 4143 11 4140 4146 11 4134 4137 4 4128 4131 13 4197 4200 11 4197 4203 11 4197 4206 11 4191 4194 4 4185 4188 13 4227 4230 11 4227 4233 11 4221 4224 4 4215 4218 13 4257 4260 15 4257 4263 15 4251 4254 13 4305 4308 4 4305 4311 4 4305 4314 4 4293 4296 4 4293 4299 4 4284 4287 11 4284 4290 11 4278 4281 4 4272 4275 13 4353 4356 3 4341 4344 11 4341 4347 11 4341 4350 11 4335 4338 4 4329 4332 4 4323 4326 13 4395 4398 11 4395 4401 11 4395 4404 11 4383 4386 11 4383 4389 11 4383 4392 11 4377 4380 11 4371 4374 4 4365 4368 13 4419 4422 15 4419 4425 15 4413 4416 13 4455 4458 11 4455 4461 11 4446 4449 11 4446 4452 11 4440 4443 4 4434 4437 13 4518 4521 11 4518 4524 11 4518 4527 11 4506 4509 11 4506 4512 11 4506 4515 11 4500 4503 11 4491 4494 11 4491 4497 11 4485 4488 4 4479 4482 13 4548 4551 4 4548 4554 4 4542 4545 4 4536 4539 13 4578 4581 11 4578 4584 11 4578 4587 11 4572 4575 4 4566 4569 13 4608 4611 11 4608 4614 11 4608 4617 11 4602 4605 4 4596 4599 13 4638 4641 11 4638 4644 11 4638 4647 11 4632 4635 4 4626 4629 13 4695 4698 11 4695 4701 11 4695 4704 11 4686 4689 11 4686 4692 11 4674 4677 11 4674 4680 11 4674 4683 11 4668 4671 11 4662 4665 4 4656 4659 13 4743 4746 3 4731 4734 11 4731 4737 11 4731 4740 11 4725 4728 4 4719 4722 4 4713 4716 13 4788 4791 4 4788 4794 4 4788 4797 4 4776 4779 4 4776 4782 4 4767 4770 11 4767 4773 11 4761 4764 4 4755 4758 13 4827 4830 3 4818 4821 4 4818 4824 4 4812 4815 4 4806 4809 13 4851 4854 11 4851 4857 11 4845 4848 4 4839 4842 13 4902 4905 13 4902 4908 13 4887 4890 11 4887 4893 11 4881 4884 4 4875 4878 13 4938 4941 3 4929 4932 4 4929 4935 4 4923 4926 4 4917 4920 13 4962 4965 11 4962 4968 11 4962 4971 11 4956 4959 4 4950 4953 13 4992 4995 11 4992 4998 11 4992 5001 11 4986 4989 4 4980 4983 13 5037 5040 13 5037 5043 13 5022 5025 11 5022 5028 11 5016 5019 4 5010 5013 13 5091 5094 11 5091 5097 11 5091 5100 11 5079 5082 11 5079 5085 11 5079 5088 11 5073 5076 11 5064 5067 11 5064 5070 11 5058 5061 4 5052 5055 13 5148 5151 11 5148 5154 11 5148 5157 11 5136 5139 11 5136 5142 11 5136 5145 11 5130 5133 11 5121 5124 11 5121 5127 11 5115 5118 4 5109 5112 13 5205 5208 11 5205 5211 11 5205 5214 11 5193 5196 11 5193 5199 11 5193 5202 11 5187 5190 11 5178 5181 11 5178 5184 11 5172 5175 4 5166 5169 13 5235 5238 11 5235 5241 11 5235 5244 11 5229 5232 4 5223 5226 13 5283 5286 3 5271 5274 11 5271 5277 11 5271 5280 11 5265 5268 4 5259 5262 4 5253 5256 13 5325 5328 11 5325 5331 11 5325 5334 11 5313 5316 11 5313 5319 11 5313 5322 11 5307 5310 11 5301 5304 4 5295 5298 13 5349 5352 15 5349 5355 15 5343 5346 13 5370 5373 15 5370 5376 15 5364 5367 13 5415 5418 4 5406 5409 11 5406 5412 11 5397 5400 11 5397 5403 11 5388 5391 4 5388 5394 4 5439 5442 11 5439 5445 11 5439 5448 11 5433 5436 4 5427 5430 13 5463 5466 15 5463 5469 15 5457 5460 13 5517 5520 11 5517 5523 11 5517 5526 11 5505 5508 11 5505 5511 11 5505 5514 11 5499 5502 11 5490 5493 11 5490 5496 11 5484 5487 4 5478 5481 13 5565 5568 3 5553 5556 11 5553 5559 11 5553 5562 11 5547 5550 4 5541 5544 4 5535 5538 13 5589 5592 11 5589 5595 11 5589 5598 11 5583 5586 4 5577 5580 13 5655 5658 20 5649 5652 20 5643 5646 20 5637 5640 20 5631 5634 20 5619 5622 11 5619 5625 11 5613 5616 4 5607 5610 13 5706 5709 11 5706 5712 11 5706 5715 11 5694 5697 11 5694 5700 11 5694 5703 11 5688 5691 11 5679 5682 11 5679 5685 11 5673 5676 4 5667 5670 13 5781 5784 16 5781 5787 16 5772 5775 16 5772 5778 16 5763 5766 16 5754 5757 4 5754 5760 4 5745 5748 11 5745 5751 11 5736 5739 11 5736 5742 11 5730 5733 4 5724 5727 13 5832 5835 13 5832 5838 13 5817 5820 11 5817 5823 11 5808 5811 11 5808 5814 11 5802 5805 4 5796 5799 13 5886 5889 11 5886 5892 11 5886 5895 11 5877 5880 11 5877 5883 11 5865 5868 11 5865 5871 11 5865 5874 11 5859 5862 11 5853 5856 4 5847 5850 13 5910 5913 15 5910 5916 15 5904 5907 13 5937 5940 11 5937 5943 11 5931 5934 4 5925 5928 13 5988 5991 13 5988 5994 13 5973 5976 11 5973 5979 11 5967 5970 4 5961 5964 13 6033 6036 11 6033 6039 11 6033 6042 11 6021 6024 11 6021 6027 11 6021 6030 11 6015 6018 11 6009 6012 4 6003 6006 13 6081 6084 3 6069 6072 11 6069 6075 11 6069 6078 11 6063 6066 4 6057 6060 4 6051 6054 13 6150 6153 16 6150 6156 16 6141 6144 16 6141 6147 16 6132 6135 16 6123 6126 4 6123 6129 4 6114 6117 11 6114 6120 11 6105 6108 11 6105 6111 11 6099 6102 4 6093 6096 13 6204 6207 11 6204 6210 11 6204 6213 11 6192 6195 11 6192 6198 11 6192 6201 11 6186 6189 11 6177 6180 11 6177 6183 11 6171 6174 4 6165 6168 13 6234 6237 11 6234 6240 11 6228 6231 4 6222 6225 13 6315 6318 16 6315 6321 16 6306 6309 16 6306 6312 16 6297 6300 16 6288 6291 4 6288 6294 4 6279 6282 11 6279 6285 11 6270 6273 11 6270 6276 11 6264 6267 4 6258 6261 13 6387 6390 20 6381 6384 20 6375 6378 20 6369 6372 20 6360 6363 25 6354 6357 27 6342 6345 11 6342 6348 11 6336 6339 4 6330 6333 13 6423 6426 11 6423 6429 11 6414 6417 11 6414 6420 11 6408 6411 4 6402 6405 13 6477 6480 3 6465 6468 11 6465 6471 11 6465 6474 11 6459 6462 4 6453 6456 4 6447 6450 13 6510 6513 11 6510 6516 11 6501 6504 11 6501 6507 11 6495 6498 4 6489 6492 13 6573 6576 11 6573 6579 11 6573 6582 11 6561 6564 11 6561 6567 11 6561 6570 11 6555 6558 11 6546 6549 11 6546 6552 11 6540 6543 4 6534 6537 13 6618 6621 13 6618 6624 13 6603 6606 11 6603 6609 11 6597 6600 4 6591 6594 13 6654 6657 11 6654 6660 11 6645 6648 11 6645 6651 11 6639 6642 4 6633 6636 13 6690 6693 11 6690 6696 11 6690 6699 11 6684 6687 4 6678 6681 13 6747 6750 11 6747 6753 11 6747 6756 11 6735 6738 11 6735 6741 11 6735 6744 11 6729 6732 11 6720 6723 11 6720 6726 11 6714 6717 4 6708 6711 13 6795 6798 4 6786 6789 11 6786 6792 11 6777 6780 11 6777 6783 11 6768 6771 4 6768 6774 4 6813 6816 15 6813 6819 15 6807 6810 13 6840 6843 11 6840 6846 11 6834 6837 4 6828 6831 13 6876 6879 11 6876 6882 11 6876 6885 11 6870 6873 4 6864 6867 13 6951 6954 16 6951 6957 16 6942 6945 16 6942 6948 16 6933 6936 16 6924 6927 4 6924 6930 4 6915 6918 11 6915 6921 11 6906 6909 11 6906 6912 11 6900 6903 4 6894 6897 13 6978 6981 11 6978 6984 11 6972 6975 4 6966 6969 13 7032 7035 3 7020 7023 11 7020 7026 11 7020 7029 11 7014 7017 4 7008 7011 4 7002 7005 13 7074 7077 3 7062 7065 11 7062 7068 11 7062 7071 11 7056 7059 4 7050 7053 4 7044 7047 13 7116 7119 3 7104 7107 11 7104 7110 11 7104 7113 11 7098 7101 4 7092 7095 4 7086 7089 13 7158 7161 4 7149 7152 11 7149 7155 11 7140 7143 11 7140 7146 11 7131 7134 4 7131 7137 4 7182 7185 11 7182 7188 11 7182 7191 11 7176 7179 4 7170 7173 13 7221 7224 3 7212 7215 4 7212 7218 4 7206 7209 4 7200 7203 13 7266 7269 4 7266 7272 4 7266 7275 4 7254 7257 4 7254 7260 4 7245 7248 11 7245 7251 11 7239 7242 4 7233 7236 13 7296 7299 11 7296 7302 11 7296 7305 11 7290 7293 4 7284 7287 13 7326 7329 11 7326 7332 11 7326 7335 11 7320 7323 4 7314 7317 13 7374 7377 3 7362 7365 11 7362 7368 11 7362 7371 11 7356 7359 4 7350 7353 4 7344 7347 13 7425 7428 11 7425 7431 11 7425 7434 11 7413 7416 11 7413 7419 11 7413 7422 11 7407 7410 11 7398 7401 11 7398 7404 11 7392 7395 4 7386 7389 13 7500 7503 16 7500 7506 16 7491 7494 16 7491 7497 16 7482 7485 16 7473 7476 4 7473 7479 4 7464 7467 11 7464 7470 11 7455 7458 11 7455 7461 11 7449 7452 4 7443 7446 13 7563 7566 9 7563 7569 9 7563 7572 9 7554 7557 6 7554 7560 6 7545 7548 11 7545 7551 11 7536 7539 11 7536 7542 11 7527 7530 11 7527 7533 11 7521 7524 4 7515 7518 13 7620 7623 11 7620 7626 11 7620 7629 11 7608 7611 11 7608 7614 11 7608 7617 11 7602 7605 11 7593 7596 11 7593 7599 11 7587 7590 4 7581 7584 13 7677 7680 11 7677 7683 11 7677 7686 11 7665 7668 11 7665 7671 11 7665 7674 11 7659 7662 11 7650 7653 11 7650 7656 11 7644 7647 4 7638 7641 13 7725 7728 3 7713 7716 11 7713 7719 11 7713 7722 11 7707 7710 4 7701 7704 4 7695 7698 13 7758 7761 3 7749 7752 4 7749 7755 4 7743 7746 4 7737 7740 13 7806 7809 13 7806 7812 13 7791 7794 11 7791 7797 11 7782 7785 11 7782 7788 11 7776 7779 4 7770 7773 13 7878 7881 16 7878 7884 16 7869 7872 16 7869 7875 16 7860 7863 16 7851 7854 4 7851 7857 4 7842 7845 11 7842 7848 11 7833 7836 11 7833 7839 11 7827 7830 4 7821 7824 13 7932 7935 11 7932 7938 11 7932 7941 11 7920 7923 11 7920 7926 11 7920 7929 11 7914 7917 11 7905 7908 11 7905 7911 11 7899 7902 4 7893 7896 13 7971 7974 3 7962 7965 4 7962 7968 4 7956 7959 4 7950 7953 13 7995 7998 11 7995 8001 11 7995 8004 11 7989 7992 4 7983 7986 13 8070 8073 16 8070 8076 16 8061 8064 16 8061 8067 16 8052 8055 16 8043 8046 4 8043 8049 4 8034 8037 11 8034 8040 11 8025 8028 11 8025 8031 11 8019 8022 4 8013 8016 13 8106 8109 3 8097 8100 4 8097 8103 4 8091 8094 4 8085 8088 13 8154 8157 13 8154 8160 13 8139 8142 11 8139 8145 11 8130 8133 11 8130 8136 11 8124 8127 4 8118 8121 13 8226 8229 16 8226 8232 16 8217 8220 16 8217 8223 16 8208 8211 16 8199 8202 4 8199 8205 4 8190 8193 11 8190 8196 11 8181 8184 11 8181 8187 11 8175 8178 4 8169 8172 13 8277 8280 13 8277 8283 13 8262 8265 11 8262 8268 11 8253 8256 11 8253 8259 11 8247 8250 4 8241 8244 13 8331 8334 11 8331 8337 11 8331 8340 11 8319 8322 11 8319 8325 11 8319 8328 11 8313 8316 11 8304 8307 11 8304 8310 11 8298 8301 4 8292 8295 13 8388 8391 11 8388 8394 11 8388 8397 11 8376 8379 11 8376 8382 11 8376 8385 11 8370 8373 11 8361 8364 11 8361 8367 11 8355 8358 4 8349 8352 13 8442 8445 13 8442 8448 13 8427 8430 11 8427 8433 11 8418 8421 11 8418 8424 11 8412 8415 4 8406 8409 13 8514 8517 20 8508 8511 20 8502 8505 20 8496 8499 20 8487 8490 25 8481 8484 27 8469 8472 11 8469 8475 11 8463 8466 4 8457 8460 13 8562 8565 4 8562 8568 4 8562 8571 4 8550 8553 4 8550 8556 4 8541 8544 11 8541 8547 11 8535 8538 4 8529 8532 13 8610 8613 11 8610 8616 11 8610 8619 11 8598 8601 11 8598 8604 11 8598 8607 11 8592 8595 11 8586 8589 4 8580 8583 13 8640 8643 11 8640 8646 11 8634 8637 4 8628 8631 13 8676 8679 11 8676 8682 11 8670 8673 4 8664 8667 13 8757 8760 16 8757 8763 16 8748 8751 16 8748 8754 16 8739 8742 16 8730 8733 4 8730 8736 4 8721 8724 11 8721 8727 11 8712 8715 11 8712 8718 11 8706 8709 4 8700 8703 13 8802 8805 11 8802 8808 11 8802 8811 11 8790 8793 11 8790 8796 11 8790 8799 11 8784 8787 11 8778 8781 4 8772 8775 13 8832 8835 11 8832 8838 11 8832 8841 11 8826 8829 4 8820 8823 13 8856 8859 15 8856 8862 15 8850 8853 13 8901 8904 4 8892 8895 11 8892 8898 11 8883 8886 11 8883 8889 11 8874 8877 4 8874 8880 4 8952 8955 11 8952 8958 11 8952 8961 11 8940 8943 11 8940 8946 11 8940 8949 11 8934 8937 11 8925 8928 11 8925 8931 11 8919 8922 4 8913 8916 13 9009 9012 11 9009 9015 11 9009 9018 11 9000 9003 11 9000 9006 11 8988 8991 11 8988 8994 11 8988 8997 11 8982 8985 11 8976 8979 4 8970 8973 13 9084 9087 16 9084 9090 16 9075 9078 16 9075 9081 16 9066 9069 16 9057 9060 4 9057 9063 4 9048 9051 11 9048 9054 11 9039 9042 11 9039 9045 11 9033 9036 4 9027 9030 13 9120 9123 3 9111 9114 4 9111 9117 4 9105 9108 4 9099 9102 13 9162 9165 11 9162 9168 11 9162 9171 11 9150 9153 11 9150 9156 11 9150 9159 11 9144 9147 11 9138 9141 4 9132 9135 13 9219 9222 11 9219 9225 11 9219 9228 11 9207 9210 11 9207 9213 11 9207 9216 11 9201 9204 11 9192 9195 11 9192 9198 11 9186 9189 4 9180 9183 13 9267 9270 4 9258 9261 11 9258 9264 11 9249 9252 11 9249 9255 11 9240 9243 4 9240 9246 4 9291 9294 11 9291 9297 11 9291 9300 11 9285 9288 4 9279 9282 13 9315 9318 15 9315 9321 15 9309 9312 13 9387 9390 20 9381 9384 20 9375 9378 20 9369 9372 20 9360 9363 25 9354 9357 27 9342 9345 11 9342 9348 11 9336 9339 4 9330 9333 13 9450 9453 20 9444 9447 20 9438 9441 20 9432 9435 20 9426 9429 20 9414 9417 11 9414 9420 11 9408 9411 4 9402 9405 13 9501 9504 11 9501 9507 11 9501 9510 11 9492 9495 11 9492 9498 11 9480 9483 11 9480 9486 11 9480 9489 11 9474 9477 11 9468 9471 4 9462 9465 13 9531 9534 11 9531 9537 11 9531 9540 11 9525 9528 4 9519 9522 13 9561 9564 11 9561 9567 11 9555 9558 4 9549 9552 13 9633 9636 9 9633 9639 9 9633 9642 9 9624 9627 6 9624 9630 6 9615 9618 11 9615 9621 11 9606 9609 11 9606 9612 11 9597 9600 11 9597 9603 11 9591 9594 4 9585 9588 13 9681 9684 3 9669 9672 11 9669 9675 11 9669 9678 11 9663 9666 4 9657 9660 4 9651 9654 13 9699 9702 15 9699 9705 15 9693 9696 13 9726 9729 11 9726 9732 11 9726 9735 11 9720 9723 4 9714 9717 13 9750 9753 15 9750 9756 15 9744 9747 13 9786 9789 11 9786 9792 11 9777 9780 11 9777 9783 11 9771 9774 4 9765 9768 13 9867 9870 16 9867 9873 16 9858 9861 16 9858 9864 16 9849 9852 16 9840 9843 4 9840 9846 4 9831 9834 11 9831 9837 11 9822 9825 11 9822 9828 11 9816 9819 4 9810 9813 13 9888 9891 15 9888 9894 15 9882 9885 13 9915 9918 11 9915 9921 11 9915 9924 11 9909 9912 4 9903 9906 13 9990 9993 16 9990 9996 16 9981 9984 16 9981 9987 16 9972 9975 16 9963 9966 4 9963 9969 4 9954 9957 11 9954 9960 11 9945 9948 11 9945 9951 11 9939 9942 4 9933 9936 13 10011 10014 15 10011 10017 15 10005 10008 13 10065 10068 11 10065 10071 11 10065 10074 11 10056 10059 11 10056 10062 11 10044 10047 11 10044 10050 11 10044 10053 11 10038 10041 11 10032 10035 4 10026 10029 13 10113 10116 11 10113 10119 11 10113 10122 11 10101 10104 11 10101 10107 11 10101 10110 11 10095 10098 11 10089 10092 4 10083 10086 13 10143 10146 11 10143 10149 11 10143 10152 11 10137 10140 4 10131 10134 13 10200 10203 11 10200 10206 11 10200 10209 11 10188 10191 11 10188 10194 11 10188 10197 11 10182 10185 11 10173 10176 11 10173 10179 11 10167 10170 4 10161 10164 13 10257 10260 11 10257 10263 11 10257 10266 11 10245 10248 11 10245 10251 11 10245 10254 11 10239 10242 11 10230 10233 11 10230 10236 11 10224 10227 4 10218 10221 13 10281 10284 15 10281 10287 15 10275 10278 13 10326 10329 4 10317 10320 11 10317 10323 11 10308 10311 11 10308 10314 11 10299 10302 4 10299 10305 4 10365 10368 13 10365 10371 13 10350 10353 11 10350 10356 11 10344 10347 4 10338 10341 13 10407 10410 13 10407 10413 13 10392 10395 11 10392 10398 11 10386 10389 4 10380 10383 13 10470 10473 9 10470 10476 9 10470 10479 9 10461 10464 6 10461 10467 6 10452 10455 11 10452 10458 11 10443 10446 11 10443 10449 11 10434 10437 11 10434 10440 11 10428 10431 4 10422 10425 13 10500 10503 11 10500 10506 11 10500 10509 11 10494 10497 4 10488 10491 13 10539 10542 11 10539 10545 11 10530 10533 11 10530 10536 11 10524 10527 4 10518 10521 13 10620 10623 16 10620 10626 16 10611 10614 16 10611 10617 16 10602 10605 16 10593 10596 4 10593 10599 4 10584 10587 11 10584 10590 11 10575 10578 11 10575 10581 11 10569 10572 4 10563 10566 13 10674 10677 11 10674 10680 11 10674 10683 11 10665 10668 11 10665 10671 11 10653 10656 11 10653 10659 11 10653 10662 11 10647 10650 11 10641 10644 4 10635 10638 13 10722 10725 11 10722 10728 11 10722 10731 11 10710 10713 11 10710 10716 11 10710 10719 11 10704 10707 11 10698 10701 4 10692 10695 13 10770 10773 11 10770 10776 11 10770 10779 11 10758 10761 11 10758 10764 11 10758 10767 11 10752 10755 11 10746 10749 4 10740 10743 13 10827 10830 11 10827 10833 11 10827 10836 11 10818 10821 11 10818 10824 11 10806 10809 11 10806 10812 11 10806 10815 11 10800 10803 11 10794 10797 4 10788 10791 13 10896 10899 20 10890 10893 20 10884 10887 3 10875 10878 20 10869 10872 20 10857 10860 11 10857 10863 11 10851 10854 4 10845 10848 13 10947 10950 11 10947 10953 11 10947 10956 11 10935 10938 11 10935 10941 11 10935 10944 11 10929 10932 11 10920 10923 11 10920 10926 11 10914 10917 4 10908 10911 13 11022 11025 16 11022 11028 16 11013 11016 16 11013 11019 16 11004 11007 16 10995 10998 4 10995 11001 4 10986 10989 11 10986 10992 11 10977 10980 11 10977 10983 11 10971 10974 4 10965 10968 13 11049 11052 11 11049 11055 11 11043 11046 4 11037 11040 13 11103 11106 3 11091 11094 11 11091 11097 11 11091 11100 11 11085 11088 4 11079 11082 4 11073 11076 13 11145 11148 4 11136 11139 11 11136 11142 11 11127 11130 11 11127 11133 11 11118 11121 4 11118 11124 4 11169 11172 11 11169 11175 11 11169 11178 11 11163 11166 4 11157 11160 13 11208 11211 3 11199 11202 4 11199 11205 4 11193 11196 4 11187 11190 13 11253 11256 4 11253 11259 4 11253 11262 4 11241 11244 4 11241 11247 4 11232 11235 11 11232 11238 11 11226 11229 4 11220 11223 13 11283 11286 11 11283 11289 11 11283 11292 11 11277 11280 4 11271 11274 13 11322 11325 11 11322 11328 11 11313 11316 11 11313 11319 11 11307 11310 4 11301 11304 13 11403 11406 16 11403 11409 16 11394 11397 16 11394 11400 16 11385 11388 16 11376 11379 4 11376 11382 4 11367 11370 11 11367 11373 11 11358 11361 11 11358 11364 11 11352 11355 4 11346 11349 13 11445 11448 13 11445 11451 13 11430 11433 11 11430 11436 11 11424 11427 4 11418 11421 13 11496 11499 13 11496 11502 13 11481 11484 11 11481 11487 11 11472 11475 11 11472 11478 11 11466 11469 4 11460 11463 13 11547 11550 13 11547 11553 13 11532 11535 11 11532 11538 11 11523 11526 11 11523 11529 11 11517 11520 4 11511 11514 13 11601 11604 11 11601 11607 11 11601 11610 11 11592 11595 11 11592 11598 11 11580 11583 11 11580 11586 11 11580 11589 11 11574 11577 11 11568 11571 4 11562 11565 13 11631 11634 11 11631 11637 11 11631 11640 11 11625 11628 4 11619 11622 13 11655 11658 15 11655 11661 15 11649 11652 13 11709 11712 11 11709 11715 11 11709 11718 11 11700 11703 11 11700 11706 11 11688 11691 11 11688 11694 11 11688 11697 11 11682 11685 11 11676 11679 4 11670 11673 13 11733 11736 15 11733 11739 15 11727 11730 13 11760 11763 11 11760 11766 11 11760 11769 11 11754 11757 4 11748 11751 13 11790 11793 11 11790 11796 11 11790 11799 11 11784 11787 4 11778 11781 13 11847 11850 11 11847 11853 11 11847 11856 11 11835 11838 11 11835 11841 11 11835 11844 11 11829 11832 11 11820 11823 11 11820 11826 11 11814 11817 4 11808 11811 13 11904 11907 11 11904 11910 11 11904 11913 11 11895 11898 11 11895 11901 11 11883 11886 11 11883 11889 11 11883 11892 11 11877 11880 11 11871 11874 4 11865 11868 13 11943 11946 11 11943 11949 11 11934 11937 11 11934 11940 11 11928 11931 4 11922 11925 13 12006 12009 33 11997 12000 35 11991 11994 25 11979 11982 11 11979 11985 11 11973 11976 4 11967 11970 13 12075 12078 20 12069 12072 20 12063 12066 20 12057 12060 20 12048 12051 25 12042 12045 27 12030 12033 11 12030 12036 11 12024 12027 4 12018 12021 13 12126 12129 13 12126 12132 13 12111 12114 11 12111 12117 11 12102 12105 11 12102 12108 11 12096 12099 4 12090 12093 13 12198 12201 16 12198 12204 16 12189 12192 16 12189 12195 16 12180 12183 16 12171 12174 4 12171 12177 4 12162 12165 11 12162 12168 11 12153 12156 11 12153 12159 11 12147 12150 4 12141 12144 13 12303 12306 43 12294 12297 46 12276 12279 50 12276 12282 50 12270 12273 52 12249 12252 57 12249 12255 57 12249 12258 57 12237 12240 46 12237 12243 46 12222 12225 63 12216 12219 65 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 33 36 1 33 39 2 18 27 5 12 18 7 12 33 8 0 12 10 75 78 1 75 81 2 69 75 8 60 69 7 51 60 7 42 51 7 39 42 12 39 69 12 126 129 1 126 132 2 111 114 1 111 117 2 102 111 8 93 102 7 87 93 7 87 126 8 81 87 12 168 171 1 168 174 2 162 168 8 153 162 7 144 153 7 135 144 7 132 135 12 132 162 12 225 228 1 225 231 2 195 201 7 195 213 7 186 195 7 180 186 7 180 225 8 174 180 12 270 273 1 270 276 2 261 264 14 261 267 14 252 261 8 243 252 7 237 243 7 237 270 8 231 237 12 321 324 1 321 327 2 306 309 1 306 312 2 297 306 8 288 297 7 282 288 7 282 321 8 276 282 12 378 381 1 378 384 2 357 366 7 339 345 7 339 357 7 333 339 7 333 378 8 327 333 12 444 447 1 444 450 2 423 432 10 414 423 7 405 414 7 396 405 7 390 396 7 390 444 8 384 390 12 501 504 1 501 507 2 471 477 7 471 489 7 462 471 7 456 462 7 456 501 8 450 456 12 534 537 1 534 540 2 519 528 5 513 519 7 513 534 8 507 513 12 579 582 1 579 585 2 570 573 14 570 576 14 561 570 8 552 561 7 546 552 7 546 579 8 540 546 12 612 615 1 612 618 2 597 606 5 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1125 1131 12 1212 1215 1 1212 1218 2 1182 1188 7 1182 1200 7 1173 1182 7 1167 1173 7 1167 1212 8 1161 1167 12 1242 1245 1 1242 1248 2 1224 1230 7 1224 1242 8 1218 1224 12 1275 1278 1 1275 1281 2 1260 1269 5 1254 1260 7 1254 1275 8 1248 1254 12 1296 1299 1 1296 1302 2 1287 1296 8 1281 1287 12 1368 1371 1 1368 1374 2 1347 1350 17 1347 1359 17 1341 1347 17 1332 1341 18 1323 1332 7 1314 1323 7 1308 1314 7 1308 1368 8 1302 1308 12 1410 1413 1 1410 1416 2 1386 1392 7 1386 1404 5 1380 1386 7 1380 1410 8 1374 1380 12 1467 1470 1 1467 1473 2 1437 1443 7 1437 1455 7 1428 1437 7 1422 1428 7 1422 1467 8 1416 1422 12 1509 1512 1 1509 1515 2 1485 1491 7 1485 1503 5 1479 1485 7 1479 1509 8 1473 1479 12 1539 1542 1 1539 1545 2 1521 1527 7 1521 1539 8 1515 1521 12 1611 1614 1 1611 1617 2 1602 1608 21 1596 1602 22 1590 1596 22 1584 1590 22 1581 1584 23 1581 1608 24 1575 1581 26 1569 1575 28 1566 1569 29 1566 1608 30 1557 1566 31 1551 1557 7 1551 1611 8 1545 1551 12 1683 1686 1 1683 1689 2 1662 1665 17 1662 1674 17 1656 1662 17 1647 1656 18 1638 1647 7 1629 1638 7 1623 1629 7 1623 1683 8 1617 1623 12 1713 1716 1 1713 1719 2 1695 1701 7 1695 1713 8 1689 1695 12 1749 1752 1 1749 1755 2 1740 1743 14 1740 1746 14 1731 1740 8 1725 1731 7 1725 1749 8 1719 1725 12 1794 1797 1 1794 1800 2 1785 1788 14 1785 1791 14 1776 1785 8 1767 1776 7 1761 1767 7 1761 1794 8 1755 1761 12 1866 1869 1 1866 1872 2 1845 1848 17 1845 1857 17 1839 1845 17 1830 1839 18 1821 1830 7 1812 1821 7 1806 1812 7 1806 1866 8 1800 1806 12 1926 1929 1 1926 1932 2 1914 1920 22 1908 1914 22 1902 1908 22 1896 1902 22 1893 1896 22 1893 1920 22 1884 1893 32 1878 1884 7 1878 1926 8 1872 1878 12 1968 1971 1 1968 1974 2 1962 1968 8 1953 1962 7 1944 1953 7 1935 1944 7 1932 1935 12 1932 1962 12 2019 2022 1 2019 2025 2 2004 2007 19 1995 2004 19 1986 1995 7 1980 1986 7 1980 2019 8 1974 1980 12 2070 2073 1 2070 2076 2 2055 2058 19 2046 2055 19 2037 2046 7 2031 2037 7 2031 2070 8 2025 2031 12 2103 2106 1 2103 2109 2 2088 2097 5 2082 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12 8451 8454 1 8451 8457 2 8436 8439 1 8436 8442 2 8427 8436 8 8418 8427 7 8412 8418 7 8412 8451 8 8406 8412 12 8523 8526 1 8523 8529 2 8514 8520 21 8508 8514 22 8502 8508 22 8496 8502 22 8493 8496 23 8493 8520 24 8487 8493 26 8481 8487 28 8478 8481 29 8478 8520 30 8469 8478 31 8463 8469 7 8463 8523 8 8457 8463 12 8574 8577 1 8574 8580 2 8559 8562 19 8550 8559 19 8541 8550 7 8535 8541 7 8535 8574 8 8529 8535 12 8622 8625 1 8622 8628 2 8592 8598 7 8592 8610 7 8586 8592 7 8586 8622 8 8580 8586 12 8658 8661 1 8658 8664 2 8649 8652 14 8649 8655 14 8640 8649 8 8634 8640 7 8634 8658 8 8628 8634 12 8694 8697 1 8694 8700 2 8685 8688 14 8685 8691 14 8676 8685 8 8670 8676 7 8670 8694 8 8664 8670 12 8766 8769 1 8766 8772 2 8745 8748 17 8745 8757 17 8739 8745 17 8730 8739 18 8721 8730 7 8712 8721 7 8706 8712 7 8706 8766 8 8700 8706 12 8814 8817 1 8814 8820 2 8784 8790 7 8784 8802 7 8778 8784 7 8778 8814 8 8772 8778 12 8844 8847 1 8844 8850 2 8826 8832 7 8826 8844 8 8820 8826 12 8865 8868 1 8865 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9366 9369 23 9366 9393 24 9360 9366 26 9354 9360 28 9351 9354 29 9351 9393 30 9342 9351 31 9336 9342 7 9336 9396 8 9330 9336 12 9456 9459 1 9456 9462 2 9444 9450 22 9438 9444 22 9432 9438 22 9426 9432 22 9423 9426 22 9423 9450 22 9414 9423 32 9408 9414 7 9408 9456 8 9402 9408 12 9513 9516 1 9513 9519 2 9492 9501 7 9474 9480 7 9474 9492 7 9468 9474 7 9468 9513 8 9462 9468 12 9543 9546 1 9543 9549 2 9525 9531 7 9525 9543 8 9519 9525 12 9579 9582 1 9579 9585 2 9570 9573 14 9570 9576 14 9561 9570 8 9555 9561 7 9555 9579 8 9549 9555 12 9645 9648 1 9645 9651 2 9624 9633 10 9615 9624 7 9606 9615 7 9597 9606 7 9591 9597 7 9591 9645 8 9585 9591 12 9687 9690 1 9687 9693 2 9663 9669 7 9663 9681 5 9657 9663 7 9657 9687 8 9651 9657 12 9708 9711 1 9708 9714 2 9699 9708 8 9693 9699 12 9738 9741 1 9738 9744 2 9720 9726 7 9720 9738 8 9714 9720 12 9759 9762 1 9759 9765 2 9750 9759 8 9744 9750 12 9804 9807 1 9804 9810 2 9795 9798 14 9795 9801 14 9786 9795 8 9777 9786 7 9771 9777 7 9771 9804 8 9765 9771 12 9876 9879 1 9876 9882 2 9855 9858 17 9855 9867 17 9849 9855 17 9840 9849 18 9831 9840 7 9822 9831 7 9816 9822 7 9816 9876 8 9810 9816 12 9897 9900 1 9897 9903 2 9888 9897 8 9882 9888 12 9927 9930 1 9927 9933 2 9909 9915 7 9909 9927 8 9903 9909 12 9999 10002 1 9999 10005 2 9978 9981 17 9978 9990 17 9972 9978 17 9963 9972 18 9954 9963 7 9945 9954 7 9939 9945 7 9939 9999 8 9933 9939 12 10020 10023 1 10020 10026 2 10011 10020 8 10005 10011 12 10077 10080 1 10077 10083 2 10056 10065 7 10038 10044 7 10038 10056 7 10032 10038 7 10032 10077 8 10026 10032 12 10125 10128 1 10125 10131 2 10095 10101 7 10095 10113 7 10089 10095 7 10089 10125 8 10083 10089 12 10155 10158 1 10155 10161 2 10137 10143 7 10137 10155 8 10131 10137 12 10212 10215 1 10212 10218 2 10182 10188 7 10182 10200 7 10173 10182 7 10167 10173 7 10167 10212 8 10161 10167 12 10269 10272 1 10269 10275 2 10239 10245 7 10239 10257 7 10230 10239 7 10224 10230 7 10224 10269 8 10218 10224 12 10290 10293 1 10290 10296 2 10281 10290 8 10275 10281 12 10332 10335 1 10332 10338 2 10326 10332 8 10317 10326 7 10308 10317 7 10299 10308 7 10296 10299 12 10296 10326 12 10374 10377 1 10374 10380 2 10359 10362 1 10359 10365 2 10350 10359 8 10344 10350 7 10344 10374 8 10338 10344 12 10416 10419 1 10416 10422 2 10401 10404 1 10401 10407 2 10392 10401 8 10386 10392 7 10386 10416 8 10380 10386 12 10482 10485 1 10482 10488 2 10461 10470 10 10452 10461 7 10443 10452 7 10434 10443 7 10428 10434 7 10428 10482 8 10422 10428 12 10512 10515 1 10512 10518 2 10494 10500 7 10494 10512 8 10488 10494 12 10557 10560 1 10557 10563 2 10548 10551 14 10548 10554 14 10539 10548 8 10530 10539 7 10524 10530 7 10524 10557 8 10518 10524 12 10629 10632 1 10629 10635 2 10608 10611 17 10608 10620 17 10602 10608 17 10593 10602 18 10584 10593 7 10575 10584 7 10569 10575 7 10569 10629 8 10563 10569 12 10686 10689 1 10686 10692 2 10665 10674 7 10647 10653 7 10647 10665 7 10641 10647 7 10641 10686 8 10635 10641 12 10734 10737 1 10734 10740 2 10704 10710 7 10704 10722 7 10698 10704 7 10698 10734 8 10692 10698 12 10782 10785 1 10782 10788 2 10752 10758 7 10752 10770 7 10746 10752 7 10746 10782 8 10740 10746 12 10839 10842 1 10839 10845 2 10818 10827 7 10800 10806 7 10800 10818 7 10794 10800 7 10794 10839 8 10788 10794 12 10902 10905 1 10902 10908 2 10890 10896 22 10881 10884 41 10881 10890 42 10875 10881 42 10869 10875 22 10866 10869 22 10866 10896 22 10857 10866 32 10851 10857 7 10851 10902 8 10845 10851 12 10959 10962 1 10959 10965 2 10929 10935 7 10929 10947 7 10920 10929 7 10914 10920 7 10914 10959 8 10908 10914 12 11031 11034 1 11031 11037 2 11010 11013 17 11010 11022 17 11004 11010 17 10995 11004 18 10986 10995 7 10977 10986 7 10971 10977 7 10971 11031 8 10965 10971 12 11067 11070 1 11067 11073 2 11058 11061 14 11058 11064 14 11049 11058 8 11043 11049 7 11043 11067 8 11037 11043 12 11109 11112 1 11109 11115 2 11085 11091 7 11085 11103 5 11079 11085 7 11079 11109 8 11073 11079 12 11151 11154 1 11151 11157 2 11145 11151 8 11136 11145 7 11127 11136 7 11118 11127 7 11115 11118 12 11115 11145 12 11181 11184 1 11181 11187 2 11163 11169 7 11163 11181 8 11157 11163 12 11214 11217 1 11214 11220 2 11199 11208 5 11193 11199 7 11193 11214 8 11187 11193 12 11265 11268 1 11265 11271 2 11250 11253 19 11241 11250 19 11232 11241 7 11226 11232 7 11226 11265 8 11220 11226 12 11295 11298 1 11295 11301 2 11277 11283 7 11277 11295 8 11271 11277 12 11340 11343 1 11340 11346 2 11331 11334 14 11331 11337 14 11322 11331 8 11313 11322 7 11307 11313 7 11307 11340 8 11301 11307 12 11412 11415 1 11412 11418 2 11391 11394 17 11391 11403 17 11385 11391 17 11376 11385 18 11367 11376 7 11358 11367 7 11352 11358 7 11352 11412 8 11346 11352 12 11454 11457 1 11454 11460 2 11439 11442 1 11439 11445 2 11430 11439 8 11424 11430 7 11424 11454 8 11418 11424 12 11505 11508 1 11505 11511 2 11490 11493 1 11490 11496 2 11481 11490 8 11472 11481 7 11466 11472 7 11466 11505 8 11460 11466 12 11556 11559 1 11556 11562 2 11541 11544 1 11541 11547 2 11532 11541 8 11523 11532 7 11517 11523 7 11517 11556 8 11511 11517 12 11613 11616 1 11613 11619 2 11592 11601 7 11574 11580 7 11574 11592 7 11568 11574 7 11568 11613 8 11562 11568 12 11643 11646 1 11643 11649 2 11625 11631 7 11625 11643 8 11619 11625 12 11664 11667 1 11664 11670 2 11655 11664 8 11649 11655 12 11721 11724 1 11721 11727 2 11700 11709 7 11682 11688 7 11682 11700 7 11676 11682 7 11676 11721 8 11670 11676 12 11742 11745 1 11742 11748 2 11733 11742 8 11727 11733 12 11772 11775 1 11772 11778 2 11754 11760 7 11754 11772 8 11748 11754 12 11802 11805 1 11802 11808 2 11784 11790 7 11784 11802 8 11778 11784 12 11859 11862 1 11859 11865 2 11829 11835 7 11829 11847 7 11820 11829 7 11814 11820 7 11814 11859 8 11808 11814 12 11916 11919 1 11916 11922 2 11895 11904 7 11877 11883 7 11877 11895 7 11871 11877 7 11871 11916 8 11865 11871 12 11961 11964 1 11961 11967 2 11952 11955 14 11952 11958 14 11943 11952 8 11934 11943 7 11928 11934 7 11928 11961 8 11922 11928 12 12012 12015 1 12012 12018 2 12003 12006 34 11997 12003 36 11991 11997 37 11988 11991 38 11988 12006 39 11979 11988 40 11973 11979 7 11973 12012 8 11967 11973 12 12084 12087 1 12084 12090 2 12075 12081 21 12069 12075 22 12063 12069 22 12057 12063 22 12054 12057 23 12054 12081 24 12048 12054 26 12042 12048 28 12039 12042 29 12039 12081 30 12030 12039 31 12024 12030 7 12024 12084 8 12018 12024 12 12135 12138 1 12135 12141 2 12120 12123 1 12120 12126 2 12111 12120 8 12102 12111 7 12096 12102 7 12096 12135 8 12090 12096 12 12207 12210 14 12207 12213 14 12186 12189 17 12186 12198 17 12180 12186 17 12171 12180 18 12162 12171 7 12153 12162 7 12147 12153 7 12147 12207 8 12141 12147 12 12300 12303 44 12300 12309 45 12294 12300 47 12291 12294 48 12285 12288 45 12285 12291 49 12276 12285 51 12270 12276 53 12270 12291 54 12261 12264 55 12261 12267 55 12261 12270 56 12246 12249 58 12246 12261 59 12246 12294 58 12237 12246 58 12234 12237 60 12231 12234 61 12228 12231 62 12222 12228 64 12216 12222 66 12216 12234 67 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 24 18 27 3 21 18 24 4 21 18 27 3 18 27 30 6 15 12 18 7 15 12 33 8 12 18 21 9 12 18 24 9 9 0 12 13 6 0 9 14 6 0 12 13 3 0 6 14 3 0 9 14 3 0 12 13 0 12 15 15 75 81 84 18 72 69 75 19 66 60 69 20 63 60 66 21 63 60 69 20 60 69 72 9 57 51 60 20 54 51 57 21 54 51 60 20 51 60 63 20 51 60 66 20 48 42 51 9 45 42 48 4 45 42 51 9 42 51 54 20 42 51 57 20 39 42 45 24 39 42 48 24 39 69 72 24 120 117 123 27 111 117 120 18 111 117 123 18 108 102 111 28 105 102 108 21 105 102 111 28 99 93 102 20 96 93 99 21 96 93 102 20 93 102 105 20 93 102 108 20 90 87 93 9 90 87 126 19 87 93 96 20 87 93 99 20 84 81 87 29 81 87 90 24 168 174 177 18 165 162 168 19 159 153 162 20 156 153 159 21 156 153 162 20 153 162 165 9 150 144 153 20 147 144 150 21 147 144 153 20 144 153 156 20 144 153 159 20 141 135 144 9 138 135 141 4 138 135 144 9 135 144 147 20 135 144 150 20 132 135 138 24 132 135 141 24 132 162 165 24 225 231 234 18 219 213 222 21 216 213 219 21 216 213 222 21 207 201 210 21 204 201 207 21 204 201 210 21 198 195 201 20 198 195 213 20 195 201 204 20 195 201 207 20 195 201 210 20 195 213 216 20 195 213 219 20 195 213 222 20 192 186 195 20 189 186 192 21 189 186 195 20 186 195 198 20 183 180 186 9 183 180 225 19 180 186 189 20 180 186 192 20 177 174 180 29 174 180 183 24 270 276 279 18 258 252 261 28 255 252 258 21 255 252 261 28 249 243 252 20 246 243 249 21 246 243 252 20 243 252 255 20 243 252 258 20 240 237 243 9 240 237 270 19 237 243 246 20 237 243 249 20 234 231 237 29 231 237 240 24 321 327 330 18 315 312 318 27 306 312 315 18 306 312 318 18 303 297 306 28 300 297 303 21 300 297 306 28 294 288 297 20 291 288 294 21 291 288 297 20 288 297 300 20 288 297 303 20 285 282 288 9 285 282 321 19 282 288 291 20 282 288 294 20 279 276 282 29 276 282 285 24 378 384 387 18 372 366 375 21 369 366 372 21 369 366 375 21 363 357 366 20 360 357 363 21 360 357 366 20 357 366 369 20 357 366 372 20 357 366 375 20 351 345 354 21 348 345 351 21 348 345 354 21 342 339 345 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1077 18 1056 1050 1059 28 1053 1050 1056 21 1053 1050 1059 28 1047 1041 1050 20 1044 1041 1047 21 1044 1041 1050 20 1041 1050 1053 20 1041 1050 1056 20 1038 1035 1041 9 1038 1035 1068 19 1035 1041 1044 20 1035 1041 1047 20 1032 1029 1035 29 1029 1035 1038 24 1119 1125 1128 18 1113 1107 1116 4 1110 1107 1113 4 1110 1107 1116 4 1104 1107 1110 43 1104 1107 1113 43 1104 1107 1116 43 1101 1095 1104 43 1098 1095 1101 4 1098 1095 1104 43 1092 1086 1095 20 1089 1086 1092 21 1089 1086 1095 20 1086 1095 1098 9 1086 1095 1101 9 1083 1080 1086 9 1083 1080 1119 19 1080 1086 1089 20 1080 1086 1092 20 1077 1074 1080 29 1074 1080 1083 24 1155 1161 1164 18 1143 1137 1146 28 1140 1137 1143 21 1140 1137 1146 28 1134 1131 1137 9 1134 1131 1155 19 1131 1137 1140 20 1131 1137 1143 20 1128 1125 1131 29 1125 1131 1134 24 1212 1218 1221 18 1206 1200 1209 21 1203 1200 1206 21 1203 1200 1209 21 1194 1188 1197 21 1191 1188 1194 21 1191 1188 1197 21 1185 1182 1188 20 1185 1182 1200 20 1182 1188 1191 20 1182 1188 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1332 20 1326 1323 1329 21 1326 1323 1332 20 1323 1332 1335 9 1323 1332 1338 9 1320 1314 1323 20 1317 1314 1320 21 1317 1314 1323 20 1314 1323 1326 20 1314 1323 1329 20 1311 1308 1314 9 1311 1308 1368 19 1308 1314 1317 20 1308 1314 1320 20 1305 1302 1308 29 1302 1308 1311 24 1410 1416 1419 18 1398 1392 1401 21 1395 1392 1398 21 1395 1392 1401 21 1389 1386 1392 9 1389 1386 1404 3 1386 1392 1395 20 1386 1392 1398 20 1386 1392 1401 20 1386 1404 1407 6 1383 1380 1386 9 1383 1380 1410 19 1380 1386 1389 9 1377 1374 1380 29 1374 1380 1383 24 1467 1473 1476 18 1461 1455 1464 21 1458 1455 1461 21 1458 1455 1464 21 1449 1443 1452 21 1446 1443 1449 21 1446 1443 1452 21 1440 1437 1443 20 1440 1437 1455 20 1437 1443 1446 20 1437 1443 1449 20 1437 1443 1452 20 1437 1455 1458 20 1437 1455 1461 20 1437 1455 1464 20 1434 1428 1437 20 1431 1428 1434 21 1431 1428 1437 20 1428 1437 1440 20 1425 1422 1428 9 1425 1422 1467 19 1422 1428 1431 20 1422 1428 1434 20 1419 1416 1422 29 1416 1422 1425 24 1509 1515 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1656 39 1650 1647 1653 4 1650 1647 1656 39 1647 1656 1659 40 1644 1638 1647 20 1641 1638 1644 21 1641 1638 1647 20 1638 1647 1650 9 1638 1647 1653 9 1635 1629 1638 20 1632 1629 1635 21 1632 1629 1638 20 1629 1638 1641 20 1629 1638 1644 20 1626 1623 1629 9 1626 1623 1683 19 1623 1629 1632 20 1623 1629 1635 20 1620 1617 1623 29 1617 1623 1626 24 1713 1719 1722 18 1707 1701 1710 21 1704 1701 1707 21 1704 1701 1710 21 1698 1695 1701 9 1698 1695 1713 19 1695 1701 1704 20 1695 1701 1707 20 1695 1701 1710 20 1692 1689 1695 29 1689 1695 1698 24 1749 1755 1758 18 1737 1731 1740 28 1734 1731 1737 21 1734 1731 1740 28 1728 1725 1731 9 1728 1725 1749 19 1725 1731 1734 20 1725 1731 1737 20 1722 1719 1725 29 1719 1725 1728 24 1794 1800 1803 18 1782 1776 1785 28 1779 1776 1782 21 1779 1776 1785 28 1773 1767 1776 20 1770 1767 1773 21 1770 1767 1776 20 1767 1776 1779 20 1767 1776 1782 20 1764 1761 1767 9 1764 1761 1794 19 1761 1767 1770 20 1761 1767 1773 20 1758 1755 1761 29 1755 1761 1764 24 1866 1872 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10380 10386 10389 24 10482 10488 10491 18 10476 10470 10479 14 10473 10470 10476 14 10473 10470 10479 14 10467 10461 10470 15 10464 10461 10467 32 10464 10461 10470 15 10461 10470 10473 13 10461 10470 10476 13 10461 10470 10479 13 10458 10452 10461 20 10455 10452 10458 21 10455 10452 10461 20 10452 10461 10464 7 10452 10461 10467 7 10449 10443 10452 20 10446 10443 10449 21 10446 10443 10452 20 10443 10452 10455 20 10443 10452 10458 20 10440 10434 10443 20 10437 10434 10440 21 10437 10434 10443 20 10434 10443 10446 20 10434 10443 10449 20 10431 10428 10434 9 10431 10428 10482 19 10428 10434 10437 20 10428 10434 10440 20 10425 10422 10428 29 10422 10428 10431 24 10512 10518 10521 18 10506 10500 10509 21 10503 10500 10506 21 10503 10500 10509 21 10497 10494 10500 9 10497 10494 10512 19 10494 10500 10503 20 10494 10500 10506 20 10494 10500 10509 20 10491 10488 10494 29 10488 10494 10497 24 10557 10563 10566 18 10545 10539 10548 28 10542 10539 10545 21 10542 10539 10548 28 10536 10530 10539 20 10533 10530 10536 21 10533 10530 10539 20 10530 10539 10542 20 10530 10539 10545 20 10527 10524 10530 9 10527 10524 10557 19 10524 10530 10533 20 10524 10530 10536 20 10521 10518 10524 29 10518 10524 10527 24 10629 10635 10638 18 10623 10620 10626 36 10614 10611 10617 36 10608 10611 10614 38 10608 10611 10617 38 10608 10620 10623 38 10608 10620 10626 38 10605 10602 10608 38 10599 10593 10602 39 10596 10593 10599 4 10596 10593 10602 39 10593 10602 10605 40 10590 10584 10593 20 10587 10584 10590 21 10587 10584 10593 20 10584 10593 10596 9 10584 10593 10599 9 10581 10575 10584 20 10578 10575 10581 21 10578 10575 10584 20 10575 10584 10587 20 10575 10584 10590 20 10572 10569 10575 9 10572 10569 10629 19 10569 10575 10578 20 10569 10575 10581 20 10566 10563 10569 29 10563 10569 10572 24 10686 10692 10695 18 10680 10674 10683 21 10677 10674 10680 21 10677 10674 10683 21 10671 10665 10674 20 10668 10665 10671 21 10668 10665 10674 20 10665 10674 10677 20 10665 10674 10680 20 10665 10674 10683 20 10659 10653 10662 21 10656 10653 10659 21 10656 10653 10662 21 10650 10647 10653 20 10650 10647 10665 20 10647 10653 10656 20 10647 10653 10659 20 10647 10653 10662 20 10647 10665 10668 20 10647 10665 10671 20 10644 10641 10647 9 10644 10641 10686 19 10641 10647 10650 20 10638 10635 10641 29 10635 10641 10644 24 10734 10740 10743 18 10728 10722 10731 21 10725 10722 10728 21 10725 10722 10731 21 10716 10710 10719 21 10713 10710 10716 21 10713 10710 10719 21 10707 10704 10710 20 10707 10704 10722 20 10704 10710 10713 20 10704 10710 10716 20 10704 10710 10719 20 10704 10722 10725 20 10704 10722 10728 20 10704 10722 10731 20 10701 10698 10704 9 10701 10698 10734 19 10698 10704 10707 20 10695 10692 10698 29 10692 10698 10701 24 10782 10788 10791 18 10776 10770 10779 21 10773 10770 10776 21 10773 10770 10779 21 10764 10758 10767 21 10761 10758 10764 21 10761 10758 10767 21 10755 10752 10758 20 10755 10752 10770 20 10752 10758 10761 20 10752 10758 10764 20 10752 10758 10767 20 10752 10770 10773 20 10752 10770 10776 20 10752 10770 10779 20 10749 10746 10752 9 10749 10746 10782 19 10746 10752 10755 20 10743 10740 10746 29 10740 10746 10749 24 10839 10845 10848 18 10833 10827 10836 21 10830 10827 10833 21 10830 10827 10836 21 10824 10818 10827 20 10821 10818 10824 21 10821 10818 10827 20 10818 10827 10830 20 10818 10827 10833 20 10818 10827 10836 20 10812 10806 10815 21 10809 10806 10812 21 10809 10806 10815 21 10803 10800 10806 20 10803 10800 10818 20 10800 10806 10809 20 10800 10806 10812 20 10800 10806 10815 20 10800 10818 10821 20 10800 10818 10824 20 10797 10794 10800 9 10797 10794 10839 19 10794 10800 10803 20 10791 10788 10794 29 10788 10794 10797 24 10902 10908 10911 18 10893 10890 10896 47 10890 10896 10899 47 10881 10884 10887 88 10881 10890 10893 89 10878 10875 10881 89 10872 10869 10875 47 10869 10875 10878 47 10866 10869 10872 47 10866 10896 10899 47 10863 10857 10866 69 10860 10857 10863 21 10860 10857 10866 69 10854 10851 10857 9 10854 10851 10902 19 10851 10857 10860 20 10851 10857 10863 20 10848 10845 10851 29 10845 10851 10854 24 10959 10965 10968 18 10953 10947 10956 21 10950 10947 10953 21 10950 10947 10956 21 10941 10935 10944 21 10938 10935 10941 21 10938 10935 10944 21 10932 10929 10935 20 10932 10929 10947 20 10929 10935 10938 20 10929 10935 10941 20 10929 10935 10944 20 10929 10947 10950 20 10929 10947 10953 20 10929 10947 10956 20 10926 10920 10929 20 10923 10920 10926 21 10923 10920 10929 20 10920 10929 10932 20 10917 10914 10920 9 10917 10914 10959 19 10914 10920 10923 20 10914 10920 10926 20 10911 10908 10914 29 10908 10914 10917 24 11031 11037 11040 18 11025 11022 11028 36 11016 11013 11019 36 11010 11013 11016 38 11010 11013 11019 38 11010 11022 11025 38 11010 11022 11028 38 11007 11004 11010 38 11001 10995 11004 39 10998 10995 11001 4 10998 10995 11004 39 10995 11004 11007 40 10992 10986 10995 20 10989 10986 10992 21 10989 10986 10995 20 10986 10995 10998 9 10986 10995 11001 9 10983 10977 10986 20 10980 10977 10983 21 10980 10977 10986 20 10977 10986 10989 20 10977 10986 10992 20 10974 10971 10977 9 10974 10971 11031 19 10971 10977 10980 20 10971 10977 10983 20 10968 10965 10971 29 10965 10971 10974 24 11067 11073 11076 18 11055 11049 11058 28 11052 11049 11055 21 11052 11049 11058 28 11046 11043 11049 9 11046 11043 11067 19 11043 11049 11052 20 11043 11049 11055 20 11040 11037 11043 29 11037 11043 11046 24 11097 11091 11100 21 11094 11091 11097 21 11094 11091 11100 21 11088 11085 11091 9 11088 11085 11103 3 11085 11091 11094 20 11085 11091 11097 20 11085 11091 11100 20 11085 11103 11106 6 11082 11079 11085 9 11082 11079 11109 19 11079 11085 11088 9 11076 11073 11079 29 11073 11079 11082 24 11151 11157 11160 18 11148 11145 11151 19 11142 11136 11145 20 11139 11136 11142 21 11139 11136 11145 20 11136 11145 11148 9 11133 11127 11136 20 11130 11127 11133 21 11130 11127 11136 20 11127 11136 11139 20 11127 11136 11142 20 11124 11118 11127 9 11121 11118 11124 4 11121 11118 11127 9 11118 11127 11130 20 11118 11127 11133 20 11115 11118 11121 24 11115 11118 11124 24 11115 11145 11148 24 11181 11187 11190 18 11175 11169 11178 21 11172 11169 11175 21 11172 11169 11178 21 11166 11163 11169 9 11166 11163 11181 19 11163 11169 11172 20 11163 11169 11175 20 11163 11169 11178 20 11160 11157 11163 29 11157 11163 11166 24 11214 11220 11223 18 11205 11199 11208 3 11202 11199 11205 4 11202 11199 11208 3 11199 11208 11211 6 11196 11193 11199 9 11196 11193 11214 19 11193 11199 11202 9 11193 11199 11205 9 11190 11187 11193 29 11187 11193 11196 24 11265 11271 11274 18 11259 11253 11262 4 11256 11253 11259 4 11256 11253 11262 4 11250 11253 11256 43 11250 11253 11259 43 11250 11253 11262 43 11247 11241 11250 43 11244 11241 11247 4 11244 11241 11250 43 11238 11232 11241 20 11235 11232 11238 21 11235 11232 11241 20 11232 11241 11244 9 11232 11241 11247 9 11229 11226 11232 9 11229 11226 11265 19 11226 11232 11235 20 11226 11232 11238 20 11223 11220 11226 29 11220 11226 11229 24 11295 11301 11304 18 11289 11283 11292 21 11286 11283 11289 21 11286 11283 11292 21 11280 11277 11283 9 11280 11277 11295 19 11277 11283 11286 20 11277 11283 11289 20 11277 11283 11292 20 11274 11271 11277 29 11271 11277 11280 24 11340 11346 11349 18 11328 11322 11331 28 11325 11322 11328 21 11325 11322 11331 28 11319 11313 11322 20 11316 11313 11319 21 11316 11313 11322 20 11313 11322 11325 20 11313 11322 11328 20 11310 11307 11313 9 11310 11307 11340 19 11307 11313 11316 20 11307 11313 11319 20 11304 11301 11307 29 11301 11307 11310 24 11412 11418 11421 18 11406 11403 11409 36 11397 11394 11400 36 11391 11394 11397 38 11391 11394 11400 38 11391 11403 11406 38 11391 11403 11409 38 11388 11385 11391 38 11382 11376 11385 39 11379 11376 11382 4 11379 11376 11385 39 11376 11385 11388 40 11373 11367 11376 20 11370 11367 11373 21 11370 11367 11376 20 11367 11376 11379 9 11367 11376 11382 9 11364 11358 11367 20 11361 11358 11364 21 11361 11358 11367 20 11358 11367 11370 20 11358 11367 11373 20 11355 11352 11358 9 11355 11352 11412 19 11352 11358 11361 20 11352 11358 11364 20 11349 11346 11352 29 11346 11352 11355 24 11454 11460 11463 18 11448 11445 11451 27 11439 11445 11448 18 11439 11445 11451 18 11436 11430 11439 28 11433 11430 11436 21 11433 11430 11439 28 11427 11424 11430 9 11427 11424 11454 19 11424 11430 11433 20 11424 11430 11436 20 11421 11418 11424 29 11418 11424 11427 24 11505 11511 11514 18 11499 11496 11502 27 11490 11496 11499 18 11490 11496 11502 18 11487 11481 11490 28 11484 11481 11487 21 11484 11481 11490 28 11478 11472 11481 20 11475 11472 11478 21 11475 11472 11481 20 11472 11481 11484 20 11472 11481 11487 20 11469 11466 11472 9 11469 11466 11505 19 11466 11472 11475 20 11466 11472 11478 20 11463 11460 11466 29 11460 11466 11469 24 11556 11562 11565 18 11550 11547 11553 27 11541 11547 11550 18 11541 11547 11553 18 11538 11532 11541 28 11535 11532 11538 21 11535 11532 11541 28 11529 11523 11532 20 11526 11523 11529 21 11526 11523 11532 20 11523 11532 11535 20 11523 11532 11538 20 11520 11517 11523 9 11520 11517 11556 19 11517 11523 11526 20 11517 11523 11529 20 11514 11511 11517 29 11511 11517 11520 24 11613 11619 11622 18 11607 11601 11610 21 11604 11601 11607 21 11604 11601 11610 21 11598 11592 11601 20 11595 11592 11598 21 11595 11592 11601 20 11592 11601 11604 20 11592 11601 11607 20 11592 11601 11610 20 11586 11580 11589 21 11583 11580 11586 21 11583 11580 11589 21 11577 11574 11580 20 11577 11574 11592 20 11574 11580 11583 20 11574 11580 11586 20 11574 11580 11589 20 11574 11592 11595 20 11574 11592 11598 20 11571 11568 11574 9 11571 11568 11613 19 11568 11574 11577 20 11565 11562 11568 29 11562 11568 11571 24 11643 11649 11652 18 11637 11631 11640 21 11634 11631 11637 21 11634 11631 11640 21 11628 11625 11631 9 11628 11625 11643 19 11625 11631 11634 20 11625 11631 11637 20 11625 11631 11640 20 11622 11619 11625 29 11619 11625 11628 24 11664 11670 11673 18 11661 11655 11664 33 11658 11655 11661 34 11658 11655 11664 33 11652 11649 11655 29 11649 11655 11658 35 11649 11655 11661 35 11721 11727 11730 18 11715 11709 11718 21 11712 11709 11715 21 11712 11709 11718 21 11706 11700 11709 20 11703 11700 11706 21 11703 11700 11709 20 11700 11709 11712 20 11700 11709 11715 20 11700 11709 11718 20 11694 11688 11697 21 11691 11688 11694 21 11691 11688 11697 21 11685 11682 11688 20 11685 11682 11700 20 11682 11688 11691 20 11682 11688 11694 20 11682 11688 11697 20 11682 11700 11703 20 11682 11700 11706 20 11679 11676 11682 9 11679 11676 11721 19 11676 11682 11685 20 11673 11670 11676 29 11670 11676 11679 24 11742 11748 11751 18 11739 11733 11742 33 11736 11733 11739 34 11736 11733 11742 33 11730 11727 11733 29 11727 11733 11736 35 11727 11733 11739 35 11772 11778 11781 18 11766 11760 11769 21 11763 11760 11766 21 11763 11760 11769 21 11757 11754 11760 9 11757 11754 11772 19 11754 11760 11763 20 11754 11760 11766 20 11754 11760 11769 20 11751 11748 11754 29 11748 11754 11757 24 11802 11808 11811 18 11796 11790 11799 21 11793 11790 11796 21 11793 11790 11799 21 11787 11784 11790 9 11787 11784 11802 19 11784 11790 11793 20 11784 11790 11796 20 11784 11790 11799 20 11781 11778 11784 29 11778 11784 11787 24 11859 11865 11868 18 11853 11847 11856 21 11850 11847 11853 21 11850 11847 11856 21 11841 11835 11844 21 11838 11835 11841 21 11838 11835 11844 21 11832 11829 11835 20 11832 11829 11847 20 11829 11835 11838 20 11829 11835 11841 20 11829 11835 11844 20 11829 11847 11850 20 11829 11847 11853 20 11829 11847 11856 20 11826 11820 11829 20 11823 11820 11826 21 11823 11820 11829 20 11820 11829 11832 20 11817 11814 11820 9 11817 11814 11859 19 11814 11820 11823 20 11814 11820 11826 20 11811 11808 11814 29 11808 11814 11817 24 11916 11922 11925 18 11910 11904 11913 21 11907 11904 11910 21 11907 11904 11913 21 11901 11895 11904 20 11898 11895 11901 21 11898 11895 11904 20 11895 11904 11907 20 11895 11904 11910 20 11895 11904 11913 20 11889 11883 11892 21 11886 11883 11889 21 11886 11883 11892 21 11880 11877 11883 20 11880 11877 11895 20 11877 11883 11886 20 11877 11883 11889 20 11877 11883 11892 20 11877 11895 11898 20 11877 11895 11901 20 11874 11871 11877 9 11874 11871 11916 19 11871 11877 11880 20 11868 11865 11871 29 11865 11871 11874 24 11961 11967 11970 18 11949 11943 11952 28 11946 11943 11949 21 11946 11943 11952 28 11940 11934 11943 20 11937 11934 11940 21 11937 11934 11943 20 11934 11943 11946 20 11934 11943 11949 20 11931 11928 11934 9 11931 11928 11961 19 11928 11934 11937 20 11928 11934 11940 20 11925 11922 11928 29 11922 11928 11931 24 12012 12018 12021 18 12003 12006 12009 72 12000 11997 12003 73 11994 11991 11997 75 11991 11997 12000 77 11988 11991 11994 79 11988 12006 12009 82 11985 11979 11988 83 11982 11979 11985 21 11982 11979 11988 83 11976 11973 11979 9 11976 11973 12012 19 11973 11979 11982 20 11973 11979 11985 20 11970 11967 11973 29 11967 11973 11976 24 12084 12090 12093 18 12078 12075 12081 46 12072 12069 12075 47 12069 12075 12078 47 12066 12063 12069 47 12063 12069 12072 47 12060 12057 12063 47 12057 12063 12066 47 12054 12057 12060 51 12051 12048 12054 54 12045 12042 12048 57 12042 12048 12051 59 12039 12042 12045 61 12036 12030 12039 65 12033 12030 12036 21 12033 12030 12039 65 12027 12024 12030 9 12027 12024 12084 19 12024 12030 12033 20 12024 12030 12036 20 12021 12018 12024 29 12018 12024 12027 24 12135 12141 12144 18 12129 12126 12132 27 12120 12126 12129 18 12120 12126 12132 18 12117 12111 12120 28 12114 12111 12117 21 12114 12111 12120 28 12108 12102 12111 20 12105 12102 12108 21 12105 12102 12111 20 12102 12111 12114 20 12102 12111 12117 20 12099 12096 12102 9 12099 12096 12135 19 12096 12102 12105 20 12096 12102 12108 20 12093 12090 12096 29 12090 12096 12099 24 12201 12198 12204 36 12192 12189 12195 36 12186 12189 12192 38 12186 12189 12195 38 12186 12198 12201 38 12186 12198 12204 38 12183 12180 12186 38 12177 12171 12180 39 12174 12171 12177 4 12174 12171 12180 39 12171 12180 12183 40 12168 12162 12171 20 12165 12162 12168 21 12165 12162 12171 20 12162 12171 12174 9 12162 12171 12177 9 12159 12153 12162 20 12156 12153 12159 21 12156 12153 12162 20 12153 12162 12165 20 12153 12162 12168 20 12150 12147 12153 9 12150 12147 12207 19 12147 12153 12156 20 12147 12153 12159 20 12144 12141 12147 29 12141 12147 12150 24 12300 12303 12306 93 12297 12294 12300 94 12291 12294 12297 97 12282 12276 12285 101 12279 12276 12282 102 12279 12276 12285 101 12273 12270 12276 106 12273 12270 12291 107 12270 12276 12279 108 12270 12276 12282 108 12261 12270 12273 115 12255 12249 12258 118 12252 12249 12255 118 12252 12249 12258 118 12246 12249 12252 120 12246 12249 12255 120 12246 12249 12258 120 12246 12294 12297 124 12243 12237 12246 124 12240 12237 12243 126 12240 12237 12246 124 12234 12237 12240 127 12234 12237 12243 127 12225 12222 12228 131 12219 12216 12222 134 12219 12216 12234 135 12216 12222 12225 136 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 36 33 39 1 33 39 42 2 33 39 69 2 18 12 33 5 12 18 27 10 12 33 36 11 12 33 39 12 0 12 18 16 0 12 33 17 78 75 81 1 75 81 87 2 69 75 78 11 69 75 81 12 60 69 75 5 51 60 69 22 42 39 69 23 42 51 60 22 39 42 51 25 39 69 60 25 39 69 75 26 129 126 132 1 126 132 135 2 126 132 162 2 114 111 117 1 102 111 114 11 102 111 117 12 93 87 126 5 93 102 111 5 87 93 102 22 87 126 129 11 87 126 132 12 81 87 93 25 81 87 126 26 171 168 174 1 168 174 180 2 162 168 171 11 162 168 174 12 153 162 168 5 144 153 162 22 135 132 162 23 135 144 153 22 132 135 144 25 132 162 153 25 132 162 168 26 228 225 231 1 225 231 237 2 201 195 213 22 186 180 225 5 186 195 201 22 186 195 213 22 180 186 195 22 180 225 228 11 180 225 231 12 174 180 186 25 174 180 225 26 273 270 276 1 270 276 282 2 264 261 267 30 252 261 264 31 252 261 267 31 243 237 270 5 243 252 261 5 237 243 252 22 237 270 273 11 237 270 276 12 231 237 243 25 231 237 270 26 324 321 327 1 321 327 333 2 309 306 312 1 297 306 309 11 297 306 312 12 288 282 321 5 288 297 306 5 282 288 297 22 282 321 324 11 282 321 327 12 276 282 288 25 276 282 321 26 381 378 384 1 378 384 390 2 345 339 357 22 339 333 378 5 339 357 366 22 333 339 345 22 333 339 357 22 333 378 381 11 333 378 384 12 327 333 339 25 327 333 378 26 447 444 450 1 444 450 456 2 414 423 432 16 405 414 423 22 396 390 444 5 396 405 414 22 390 396 405 22 390 444 447 11 390 444 450 12 384 390 396 25 384 390 444 26 504 501 507 1 501 507 513 2 477 471 489 22 462 456 501 5 462 471 477 22 462 471 489 22 456 462 471 22 456 501 504 11 456 501 507 12 450 456 462 25 450 456 501 26 537 534 540 1 534 540 546 2 519 513 534 5 513 519 528 10 513 534 537 11 513 534 540 12 507 513 519 25 507 513 534 26 582 579 585 1 579 585 591 2 573 570 576 30 561 570 573 31 561 570 576 31 552 546 579 5 552 561 570 5 546 552 561 22 546 579 582 11 546 579 585 12 540 546 552 25 540 546 579 26 615 612 618 1 612 618 624 2 597 591 612 5 591 597 606 10 591 612 615 11 591 612 618 12 585 591 597 25 585 591 612 26 666 663 669 1 663 669 675 2 651 648 654 1 639 648 651 11 639 648 654 12 630 624 663 5 630 639 648 5 624 630 639 22 624 663 666 11 624 663 669 12 618 624 630 25 618 624 663 26 723 720 726 1 720 726 732 2 696 690 708 22 681 675 720 5 681 690 696 22 681 690 708 22 675 681 690 22 675 720 723 11 675 720 726 12 669 675 681 25 669 675 720 26 756 753 759 1 753 759 765 2 738 732 753 5 732 738 747 10 732 753 756 11 732 753 759 12 726 732 738 25 726 732 753 26 777 774 780 1 774 780 786 2 765 774 777 11 765 774 780 12 759 765 774 26 849 846 852 1 846 852 858 2 828 825 837 37 819 825 828 37 819 825 837 37 810 819 825 41 801 810 819 42 792 786 846 5 792 801 810 22 786 792 801 22 786 846 849 11 786 846 852 12 780 786 792 25 780 786 846 26 897 894 900 1 894 900 906 2 870 864 882 22 864 858 894 5 858 864 870 22 858 864 882 22 858 894 897 11 858 894 900 12 852 858 864 25 852 858 894 26 918 915 921 1 915 921 927 2 906 915 918 11 906 915 921 12 900 906 915 26 969 966 972 1 966 972 978 2 942 951 954 44 933 927 966 5 933 942 951 45 927 933 942 22 927 966 969 11 927 966 972 12 921 927 933 25 921 927 966 26 1026 1023 1029 1 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