####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # If this CIF has been generated from an entry in the Cambridge # Structural Database, then it will include bibliographic, chemical, # crystal, experimental, refinement or atomic coordinate data resulting # from the CCDC's data processing and validation procedures. # ####################################################################### data_image0 _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 _space_group_name_Hall 'P 1' loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z _cell_length_a 32.9095 _cell_length_b 32.8963 _cell_length_c 10.4899 _cell_angle_alpha 90.0123 _cell_angle_beta 90.0783 _cell_angle_gamma 120.188 _cell_volume 9816.21 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z H1 H 0.40610 0.93123 0.54044 H2 H 0.25989 0.72308 0.54229 H3 H 0.26320 0.80063 0.54508 H4 H 0.41232 0.87001 0.63730 H5 H 0.40863 0.79279 0.63082 C1 C 0.31682 0.95621 0.60315 C2 C 0.30955 0.99444 0.60363 C3 C 0.34799 0.03932 0.58344 C4 C 0.39314 0.04472 0.56781 N1 N 0.39990 0.00761 0.56672 C5 C 0.36265 0.96405 0.58201 C6 C 0.37040 0.92370 0.57252 C7 C 0.29331 0.75558 0.56229 C8 C 0.29508 0.79873 0.56456 C9 C 0.33789 0.84068 0.58938 C10 C 0.37887 0.83811 0.61356 C11 C 0.37674 0.79471 0.61109 C12 C 0.33408 0.75287 0.58586 C13 C 0.33156 0.70674 0.58593 N2 N 0.62297 0.32638 0.58059 N3 N 0.33586 0.88212 0.59587 N4 N 0.37201 0.70573 0.58675 H6 H 0.47256 0.18237 0.63894 H7 H 0.54095 0.26352 0.63384 H8 H 0.63270 0.20935 0.53529 H9 H 0.56395 0.12755 0.53490 H10 H 0.42602 0.11979 0.51448 C14 C 0.63160 0.29041 0.58139 C15 C 0.50738 0.18799 0.61225 C16 C 0.54582 0.23355 0.61105 C17 C 0.59123 0.24188 0.58267 C18 C 0.59727 0.20315 0.55689 C19 C 0.55901 0.15744 0.55752 C20 C 0.51338 0.14933 0.58300 C21 C 0.43403 0.09254 0.55310 N5 N 0.47575 0.10283 0.58628 H11 H 0.28745 0.92017 0.61780 H12 H 0.34334 0.07021 0.58254 H13 H 0.06548 0.47031 0.53496 H14 H 0.27435 0.53981 0.54157 H15 H 0.19844 0.46337 0.54224 H16 H 0.12413 0.53788 0.63444 H17 H 0.19972 0.61355 0.63023 C22 C 0.04226 0.35602 0.59078 C23 C 0.00415 0.31024 0.59104 C24 C 0.03401 0.39393 0.57395 C25 C 0.07374 0.44259 0.56628 C26 C 0.24107 0.53901 0.56106 C27 C 0.19889 0.49644 0.56221 C28 C 0.15607 0.49531 0.58622 C29 C 0.15677 0.53796 0.61097 C30 C 0.19928 0.58048 0.60984 C31 C 0.24195 0.58164 0.58508 C32 C 0.28756 0.62600 0.58581 N6 N 0.11557 0.45083 0.59095 H18 H 0.07842 0.36291 0.60256 C33 C 0.95902 0.30343 0.57468 C34 C 0.95334 0.34308 0.56180 N7 N 0.99033 0.38722 0.56121 H19 H 0.81604 0.28707 0.63591 H20 H 0.79406 0.42363 0.53529 H21 H 0.87477 0.43434 0.53355 H22 H 0.87765 0.30111 0.51281 C35 C 0.81150 0.31699 0.60993 C36 C 0.76659 0.31118 0.60937 C37 C 0.75962 0.34919 0.58176 C38 C 0.79912 0.39366 0.55625 C39 C 0.84423 0.39979 0.55612 C40 C 0.85092 0.36132 0.58057 C41 C 0.90570 0.33647 0.54957 N8 N 0.89685 0.36892 0.58213 H23 H 0.92821 0.26765 0.57404 N9 N 0.28873 0.66753 0.58549 N10 N 0.67537 0.29685 0.58137 C42 C 0.71143 0.34160 0.58093 H24 H 0.73594 0.27663 0.63198 H25 H 0.51568 0.58430 0.53418 H26 H 0.45787 0.73400 0.54627 H27 H 0.53069 0.72808 0.54808 H28 H 0.44682 0.57903 0.63777 H29 H 0.37458 0.58532 0.63277 C43 C 0.62824 0.67703 0.59405 C44 C 0.67563 0.68920 0.60152 C45 C 0.59266 0.62987 0.57641 C46 C 0.54368 0.61997 0.56790 C47 C 0.45569 0.70005 0.56562 C48 C 0.49625 0.69684 0.56736 C49 C 0.49370 0.65324 0.59054 C50 C 0.44949 0.61296 0.61501 C51 C 0.40907 0.61657 0.61329 C52 C 0.41149 0.65989 0.58851 C53 C 0.36831 0.66300 0.58730 N11 N 0.53649 0.65405 0.59484 H30 H 0.61743 0.70369 0.60012 C54 C 0.68506 0.65221 0.58594 C55 C 0.64754 0.60567 0.56884 N12 N 0.60217 0.59473 0.56511 H31 H 0.71116 0.52931 0.63563 H32 H 0.57824 0.36824 0.53156 H33 H 0.56466 0.43643 0.53096 H34 H 0.69456 0.57752 0.52327 C56 C 0.68195 0.49429 0.60915 C57 C 0.68936 0.45616 0.60802 C58 C 0.65235 0.41048 0.57982 C59 C 0.60738 0.40387 0.55327 C60 C 0.59968 0.44181 0.55371 C61 C 0.63701 0.48769 0.57994 C62 C 0.65794 0.56710 0.55621 N13 N 0.62701 0.52440 0.58337 H35 H 0.72133 0.65878 0.59098 N14 N 0.32669 0.62259 0.58681 N15 N 0.70525 0.37910 0.58019 C63 C 0.66053 0.37025 0.58000 H36 H 0.72439 0.46148 0.63099 C64 C 0.71225 0.73878 0.62632 C65 C 0.75873 0.75857 0.58160 C66 C 0.69997 0.76779 0.69671 C67 C 0.79231 0.80609 0.60537 H37 H 0.76929 0.73720 0.52485 C68 C 0.73243 0.81476 0.72126 H38 H 0.66420 0.75323 0.73492 C69 C 0.77865 0.83410 0.67530 C70 C 0.84032 0.82871 0.55761 H39 H 0.72237 0.83679 0.77607 O1 O 0.80851 0.88083 0.70113 H40 H 0.85099 0.80839 0.49676 C71 C 0.87127 0.87423 0.58419 C72 C 0.85987 0.90470 0.66621 H41 H 0.90687 0.89103 0.54313 C73 C 0.88803 0.92327 0.79782 N16 N 0.86907 0.94801 0.60109 C74 C 0.88864 0.96984 0.81149 C75 C 0.86287 0.88885 0.90788 C76 C 0.93895 0.93302 0.78732 C77 C 0.84636 0.94506 0.48023 C78 C 0.87763 0.98234 0.69267 C79 C 0.89805 0.99884 0.91751 H42 H 0.85783 0.85383 0.88671 H43 H 0.88340 0.90124 0.99660 H44 H 0.82815 0.88468 0.92692 H45 H 0.95944 0.95186 0.87219 H46 H 0.94007 0.90024 0.77990 H47 H 0.95729 0.95493 0.70407 H48 H 0.81004 0.93882 0.49131 H49 H 0.86678 0.97784 0.42489 H50 H 0.84429 0.91598 0.42291 C80 C 0.87660 1.02427 0.67813 H51 H 0.90621 0.98921 1.01075 C81 C 0.89615 1.04041 0.90420 H52 H 0.86793 1.03423 0.58633 C82 C 0.88575 1.05280 0.78598 H53 H 0.90291 1.06339 0.98735 H54 H 0.88420 1.08537 0.77757 H55 H 0.00949 0.28000 0.60350 H56 H 0.27417 0.98935 0.61854 C2 C 0.30955 -0.00556 0.60363 C3 C 0.34799 1.03932 0.58344 N1 N 0.39990 1.00761 0.56672 C5 C 0.36265 -0.03595 0.58201 C23 C 1.00415 0.31024 0.59104 C24 C 1.03401 0.39393 0.57395 C33 C -0.04098 0.30343 0.57468 N7 N -0.00967 0.38722 0.56121 H1 H 0.40610 1.93123 0.54044 H2 H 0.25989 1.72308 0.54229 H3 H 0.26320 1.80063 0.54508 H4 H 0.41232 1.87001 0.63730 H5 H 0.40863 1.79279 0.63082 C1 C 0.31682 1.95621 0.60315 C2 C 0.30955 1.99444 0.60363 C4 C 0.39314 1.04472 0.56781 C5 C 0.36265 1.96405 0.58201 C6 C 0.37040 1.92370 0.57252 C7 C 0.29331 1.75558 0.56229 C8 C 0.29508 1.79873 0.56456 C9 C 0.33789 1.84068 0.58938 C10 C 0.37887 1.83811 0.61356 C11 C 0.37674 1.79471 0.61109 C12 C 0.33408 1.75287 0.58586 C13 C 0.33156 1.70674 0.58593 N2 N 0.62297 1.32638 0.58059 N3 N 0.33586 1.88212 0.59587 N4 N 0.37201 1.70573 0.58675 H6 H 0.47256 1.18237 0.63894 H7 H 0.54095 1.26352 0.63384 H8 H 0.63270 1.20935 0.53529 H9 H 0.56395 1.12755 0.53490 H10 H 0.42602 1.11979 0.51448 C14 C 0.63160 1.29041 0.58139 C15 C 0.50738 1.18799 0.61225 C16 C 0.54582 1.23355 0.61105 C17 C 0.59123 1.24188 0.58267 C18 C 0.59727 1.20315 0.55689 C19 C 0.55901 1.15744 0.55752 C20 C 0.51338 1.14933 0.58300 C21 C 0.43403 1.09254 0.55310 N5 N 0.47575 1.10283 0.58628 H11 H 0.28745 1.92017 0.61780 H12 H 0.34334 1.07021 0.58254 H13 H 0.06548 1.47031 0.53496 H14 H 0.27435 1.53981 0.54157 H15 H 0.19844 1.46337 0.54224 H16 H 0.12413 1.53788 0.63444 H17 H 0.19972 1.61355 0.63023 C22 C 0.04226 1.35602 0.59078 C23 C 0.00415 1.31024 0.59104 C24 C 0.03401 1.39393 0.57395 C25 C 0.07374 1.44259 0.56628 C26 C 0.24107 1.53901 0.56106 C27 C 0.19889 1.49644 0.56221 C28 C 0.15607 1.49531 0.58622 C29 C 0.15677 1.53796 0.61097 C30 C 0.19928 1.58048 0.60984 C31 C 0.24195 1.58164 0.58508 C32 C 0.28756 1.62600 0.58581 N6 N 0.11557 1.45083 0.59095 H18 H 0.07842 1.36291 0.60256 C33 C 0.95902 1.30343 0.57468 C34 C 0.95334 1.34308 0.56180 N7 N 0.99033 1.38722 0.56121 H19 H 0.81604 1.28707 0.63591 H20 H 0.79406 1.42363 0.53529 H21 H 0.87477 1.43434 0.53355 H22 H 0.87765 1.30111 0.51281 C35 C 0.81150 1.31699 0.60993 C36 C 0.76659 1.31118 0.60937 C37 C 0.75962 1.34919 0.58176 C38 C 0.79912 1.39366 0.55625 C39 C 0.84423 1.39979 0.55612 C40 C 0.85092 1.36132 0.58057 C41 C 0.90570 1.33647 0.54957 N8 N 0.89685 1.36892 0.58213 H23 H 0.92821 1.26765 0.57404 N9 N 0.28873 1.66753 0.58549 N10 N 0.67537 1.29685 0.58137 C42 C 0.71143 1.34160 0.58093 H24 H 0.73594 1.27663 0.63198 H25 H 0.51568 1.58430 0.53418 H26 H 0.45787 1.73400 0.54627 H27 H 0.53069 1.72808 0.54808 H28 H 0.44682 1.57903 0.63777 H29 H 0.37458 1.58532 0.63277 C43 C 0.62824 1.67703 0.59405 C44 C 0.67563 1.68920 0.60152 C45 C 0.59266 1.62987 0.57641 C46 C 0.54368 1.61997 0.56790 C47 C 0.45569 1.70005 0.56562 C48 C 0.49625 1.69684 0.56736 C49 C 0.49370 1.65324 0.59054 C50 C 0.44949 1.61296 0.61501 C51 C 0.40907 1.61657 0.61329 C52 C 0.41149 1.65989 0.58851 C53 C 0.36831 1.66300 0.58730 N11 N 0.53649 1.65405 0.59484 H30 H 0.61743 1.70369 0.60012 C54 C 0.68506 1.65221 0.58594 C55 C 0.64754 1.60567 0.56884 N12 N 0.60217 1.59473 0.56511 H31 H 0.71116 1.52931 0.63563 H32 H 0.57824 1.36824 0.53156 H33 H 0.56466 1.43643 0.53096 H34 H 0.69456 1.57752 0.52327 C56 C 0.68195 1.49429 0.60915 C57 C 0.68936 1.45616 0.60802 C58 C 0.65235 1.41048 0.57982 C59 C 0.60738 1.40387 0.55327 C60 C 0.59968 1.44181 0.55371 C61 C 0.63701 1.48769 0.57994 C62 C 0.65794 1.56710 0.55621 N13 N 0.62701 1.52440 0.58337 H35 H 0.72133 1.65878 0.59098 N14 N 0.32669 1.62259 0.58681 N15 N 0.70525 1.37910 0.58019 C63 C 0.66053 1.37025 0.58000 H36 H 0.72439 1.46148 0.63099 C64 C 0.71225 1.73878 0.62632 C65 C 0.75873 1.75857 0.58160 C66 C 0.69997 1.76779 0.69671 C67 C 0.79231 1.80609 0.60537 H37 H 0.76929 1.73720 0.52485 C68 C 0.73243 1.81476 0.72126 H38 H 0.66420 1.75323 0.73492 C69 C 0.77865 1.83410 0.67530 C70 C 0.84032 1.82871 0.55761 H39 H 0.72237 1.83679 0.77607 O1 O 0.80851 1.88083 0.70113 H40 H 0.85099 1.80839 0.49676 C71 C 0.87127 1.87423 0.58419 C72 C 0.85987 1.90470 0.66621 H41 H 0.90687 1.89103 0.54313 C73 C 0.88803 1.92327 0.79782 N16 N 0.86907 1.94801 0.60109 C74 C 0.88864 1.96984 0.81149 C75 C 0.86287 1.88885 0.90788 C76 C 0.93895 1.93302 0.78732 C77 C 0.84636 1.94506 0.48023 C78 C 0.87763 1.98234 0.69267 C79 C 0.89805 1.99884 0.91751 H42 H 0.85783 1.85383 0.88671 H43 H 0.88340 1.90124 0.99660 H44 H 0.82815 1.88468 0.92692 H45 H 0.95944 1.95186 0.87219 H46 H 0.94007 1.90024 0.77990 H47 H 0.95729 1.95493 0.70407 H48 H 0.81004 1.93882 0.49131 H49 H 0.86678 1.97784 0.42489 H50 H 0.84429 1.91598 0.42291 C80 C 0.87660 2.02427 0.67813 H51 H 0.90621 1.98921 1.01075 C81 C 0.89615 2.04041 0.90420 H52 H 0.86793 2.03423 0.58633 C82 C 0.88575 2.05280 0.78598 H53 H 0.90291 2.06339 0.98735 H54 H 0.88420 2.08537 0.77757 H55 H 0.00949 1.28000 0.60350 H56 H 0.27417 1.98935 0.61854 C3 C 0.34799 2.03932 0.58344 N1 N 0.39990 2.00761 0.56672 C23 C 1.00415 1.31024 0.59104 C24 C 1.03401 1.39393 0.57395 C33 C -0.04098 1.30343 0.57468 N7 N -0.00967 1.38722 0.56121 H1 H 1.40610 0.93123 0.54044 H2 H 1.25989 0.72308 0.54229 H3 H 1.26320 0.80063 0.54508 H4 H 1.41232 0.87001 0.63730 H5 H 1.40863 0.79279 0.63082 C1 C 1.31682 0.95621 0.60315 C2 C 1.30955 0.99444 0.60363 C3 C 1.34799 0.03932 0.58344 C4 C 1.39314 0.04472 0.56781 N1 N 1.39990 0.00761 0.56672 C5 C 1.36265 0.96405 0.58201 C6 C 1.37040 0.92370 0.57252 C7 C 1.29331 0.75558 0.56229 C8 C 1.29508 0.79873 0.56456 C9 C 1.33789 0.84068 0.58938 C10 C 1.37887 0.83811 0.61356 C11 C 1.37674 0.79471 0.61109 C12 C 1.33408 0.75287 0.58586 C13 C 1.33156 0.70674 0.58593 N2 N 1.62297 0.32638 0.58059 N3 N 1.33586 0.88212 0.59587 N4 N 1.37201 0.70573 0.58675 H6 H 1.47256 0.18237 0.63894 H7 H 1.54095 0.26352 0.63384 H8 H 1.63270 0.20935 0.53529 H9 H 1.56395 0.12755 0.53490 H10 H 1.42602 0.11979 0.51448 C14 C 1.63160 0.29041 0.58139 C15 C 1.50738 0.18799 0.61225 C16 C 1.54582 0.23355 0.61105 C17 C 1.59123 0.24188 0.58267 C18 C 1.59727 0.20315 0.55689 C19 C 1.55901 0.15744 0.55752 C20 C 1.51338 0.14933 0.58300 C21 C 1.43403 0.09254 0.55310 N5 N 1.47575 0.10283 0.58628 H11 H 1.28745 0.92017 0.61780 H12 H 1.34334 0.07021 0.58254 H13 H 1.06548 0.47031 0.53496 H14 H 1.27435 0.53981 0.54157 H15 H 1.19844 0.46337 0.54224 H16 H 1.12413 0.53788 0.63444 H17 H 1.19972 0.61355 0.63023 C22 C 1.04226 0.35602 0.59078 C25 C 1.07374 0.44259 0.56628 C26 C 1.24107 0.53901 0.56106 C27 C 1.19889 0.49644 0.56221 C28 C 1.15607 0.49531 0.58622 C29 C 1.15677 0.53796 0.61097 C30 C 1.19928 0.58048 0.60984 C31 C 1.24195 0.58164 0.58508 C32 C 1.28756 0.62600 0.58581 N6 N 1.11557 0.45083 0.59095 H18 H 1.07842 0.36291 0.60256 C33 C 1.95902 0.30343 0.57468 C34 C 1.95334 0.34308 0.56180 N7 N 1.99033 0.38722 0.56121 H19 H 1.81604 0.28707 0.63591 H20 H 1.79406 0.42363 0.53529 H21 H 1.87477 0.43434 0.53355 H22 H 1.87765 0.30111 0.51281 C35 C 1.81150 0.31699 0.60993 C36 C 1.76659 0.31118 0.60937 C37 C 1.75962 0.34919 0.58176 C38 C 1.79912 0.39366 0.55625 C39 C 1.84423 0.39979 0.55612 C40 C 1.85092 0.36132 0.58057 C41 C 1.90570 0.33647 0.54957 N8 N 1.89685 0.36892 0.58213 H23 H 1.92821 0.26765 0.57404 N9 N 1.28873 0.66753 0.58549 N10 N 1.67537 0.29685 0.58137 C42 C 1.71143 0.34160 0.58093 H24 H 1.73594 0.27663 0.63198 H25 H 1.51568 0.58430 0.53418 H26 H 1.45787 0.73400 0.54627 H27 H 1.53069 0.72808 0.54808 H28 H 1.44682 0.57903 0.63777 H29 H 1.37458 0.58532 0.63277 C43 C 1.62824 0.67703 0.59405 C44 C 1.67563 0.68920 0.60152 C45 C 1.59266 0.62987 0.57641 C46 C 1.54368 0.61997 0.56790 C47 C 1.45569 0.70005 0.56562 C48 C 1.49625 0.69684 0.56736 C49 C 1.49370 0.65324 0.59054 C50 C 1.44949 0.61296 0.61501 C51 C 1.40907 0.61657 0.61329 C52 C 1.41149 0.65989 0.58851 C53 C 1.36831 0.66300 0.58730 N11 N 1.53649 0.65405 0.59484 H30 H 1.61743 0.70369 0.60012 C54 C 1.68506 0.65221 0.58594 C55 C 1.64754 0.60567 0.56884 N12 N 1.60217 0.59473 0.56511 H31 H 1.71116 0.52931 0.63563 H32 H 1.57824 0.36824 0.53156 H33 H 1.56466 0.43643 0.53096 H34 H 1.69456 0.57752 0.52327 C56 C 1.68195 0.49429 0.60915 C57 C 1.68936 0.45616 0.60802 C58 C 1.65235 0.41048 0.57982 C59 C 1.60738 0.40387 0.55327 C60 C 1.59968 0.44181 0.55371 C61 C 1.63701 0.48769 0.57994 C62 C 1.65794 0.56710 0.55621 N13 N 1.62701 0.52440 0.58337 H35 H 1.72133 0.65878 0.59098 N14 N 1.32669 0.62259 0.58681 N15 N 1.70525 0.37910 0.58019 C63 C 1.66053 0.37025 0.58000 H36 H 1.72439 0.46148 0.63099 C64 C 1.71225 0.73878 0.62632 C65 C 1.75873 0.75857 0.58160 C66 C 1.69997 0.76779 0.69671 C67 C 1.79231 0.80609 0.60537 H37 H 1.76929 0.73720 0.52485 C68 C 1.73243 0.81476 0.72126 H38 H 1.66420 0.75323 0.73492 C69 C 1.77865 0.83410 0.67530 C70 C 1.84032 0.82871 0.55761 H39 H 1.72237 0.83679 0.77607 O1 O 1.80851 0.88083 0.70113 H40 H 1.85099 0.80839 0.49676 C71 C 1.87127 0.87423 0.58419 C72 C 1.85987 0.90470 0.66621 H41 H 1.90687 0.89103 0.54313 C73 C 1.88803 0.92327 0.79782 N16 N 1.86907 0.94801 0.60109 C74 C 1.88864 0.96984 0.81149 C75 C 1.86287 0.88885 0.90788 C76 C 1.93895 0.93302 0.78732 C77 C 1.84636 0.94506 0.48023 C78 C 1.87763 0.98234 0.69267 C79 C 1.89805 0.99884 0.91751 H42 H 1.85783 0.85383 0.88671 H43 H 1.88340 0.90124 0.99660 H44 H 1.82815 0.88468 0.92692 H45 H 1.95944 0.95186 0.87219 H46 H 1.94007 0.90024 0.77990 H47 H 1.95729 0.95493 0.70407 H48 H 1.81004 0.93882 0.49131 H49 H 1.86678 0.97784 0.42489 H50 H 1.84429 0.91598 0.42291 C80 C 1.87660 1.02427 0.67813 H51 H 1.90621 0.98921 1.01075 C81 C 1.89615 1.04041 0.90420 H52 H 1.86793 1.03423 0.58633 C82 C 1.88575 1.05280 0.78598 H53 H 1.90291 1.06339 0.98735 H54 H 1.88420 1.08537 0.77757 H55 H 1.00949 0.28000 0.60350 H56 H 1.27417 0.98935 0.61854 C2 C 1.30955 -0.00556 0.60363 C3 C 1.34799 1.03932 0.58344 N1 N 1.39990 1.00761 0.56672 C5 C 1.36265 -0.03595 0.58201 C23 C 2.00415 0.31024 0.59104 C24 C 2.03401 0.39393 0.57395 H1 H 1.40610 1.93123 0.54044 H2 H 1.25989 1.72308 0.54229 H3 H 1.26320 1.80063 0.54508 H4 H 1.41232 1.87001 0.63730 H5 H 1.40863 1.79279 0.63082 C1 C 1.31682 1.95621 0.60315 C2 C 1.30955 1.99444 0.60363 C4 C 1.39314 1.04472 0.56781 C5 C 1.36265 1.96405 0.58201 C6 C 1.37040 1.92370 0.57252 C7 C 1.29331 1.75558 0.56229 C8 C 1.29508 1.79873 0.56456 C9 C 1.33789 1.84068 0.58938 C10 C 1.37887 1.83811 0.61356 C11 C 1.37674 1.79471 0.61109 C12 C 1.33408 1.75287 0.58586 C13 C 1.33156 1.70674 0.58593 N2 N 1.62297 1.32638 0.58059 N3 N 1.33586 1.88212 0.59587 N4 N 1.37201 1.70573 0.58675 H6 H 1.47256 1.18237 0.63894 H7 H 1.54095 1.26352 0.63384 H8 H 1.63270 1.20935 0.53529 H9 H 1.56395 1.12755 0.53490 H10 H 1.42602 1.11979 0.51448 C14 C 1.63160 1.29041 0.58139 C15 C 1.50738 1.18799 0.61225 C16 C 1.54582 1.23355 0.61105 C17 C 1.59123 1.24188 0.58267 C18 C 1.59727 1.20315 0.55689 C19 C 1.55901 1.15744 0.55752 C20 C 1.51338 1.14933 0.58300 C21 C 1.43403 1.09254 0.55310 N5 N 1.47575 1.10283 0.58628 H11 H 1.28745 1.92017 0.61780 H12 H 1.34334 1.07021 0.58254 H13 H 1.06548 1.47031 0.53496 H14 H 1.27435 1.53981 0.54157 H15 H 1.19844 1.46337 0.54224 H16 H 1.12413 1.53788 0.63444 H17 H 1.19972 1.61355 0.63023 C22 C 1.04226 1.35602 0.59078 C25 C 1.07374 1.44259 0.56628 C26 C 1.24107 1.53901 0.56106 C27 C 1.19889 1.49644 0.56221 C28 C 1.15607 1.49531 0.58622 C29 C 1.15677 1.53796 0.61097 C30 C 1.19928 1.58048 0.60984 C31 C 1.24195 1.58164 0.58508 C32 C 1.28756 1.62600 0.58581 N6 N 1.11557 1.45083 0.59095 H18 H 1.07842 1.36291 0.60256 C33 C 1.95902 1.30343 0.57468 C34 C 1.95334 1.34308 0.56180 N7 N 1.99033 1.38722 0.56121 H19 H 1.81604 1.28707 0.63591 H20 H 1.79406 1.42363 0.53529 H21 H 1.87477 1.43434 0.53355 H22 H 1.87765 1.30111 0.51281 C35 C 1.81150 1.31699 0.60993 C36 C 1.76659 1.31118 0.60937 C37 C 1.75962 1.34919 0.58176 C38 C 1.79912 1.39366 0.55625 C39 C 1.84423 1.39979 0.55612 C40 C 1.85092 1.36132 0.58057 C41 C 1.90570 1.33647 0.54957 N8 N 1.89685 1.36892 0.58213 H23 H 1.92821 1.26765 0.57404 N9 N 1.28873 1.66753 0.58549 N10 N 1.67537 1.29685 0.58137 C42 C 1.71143 1.34160 0.58093 H24 H 1.73594 1.27663 0.63198 H25 H 1.51568 1.58430 0.53418 H26 H 1.45787 1.73400 0.54627 H27 H 1.53069 1.72808 0.54808 H28 H 1.44682 1.57903 0.63777 H29 H 1.37458 1.58532 0.63277 C43 C 1.62824 1.67703 0.59405 C44 C 1.67563 1.68920 0.60152 C45 C 1.59266 1.62987 0.57641 C46 C 1.54368 1.61997 0.56790 C47 C 1.45569 1.70005 0.56562 C48 C 1.49625 1.69684 0.56736 C49 C 1.49370 1.65324 0.59054 C50 C 1.44949 1.61296 0.61501 C51 C 1.40907 1.61657 0.61329 C52 C 1.41149 1.65989 0.58851 C53 C 1.36831 1.66300 0.58730 N11 N 1.53649 1.65405 0.59484 H30 H 1.61743 1.70369 0.60012 C54 C 1.68506 1.65221 0.58594 C55 C 1.64754 1.60567 0.56884 N12 N 1.60217 1.59473 0.56511 H31 H 1.71116 1.52931 0.63563 H32 H 1.57824 1.36824 0.53156 H33 H 1.56466 1.43643 0.53096 H34 H 1.69456 1.57752 0.52327 C56 C 1.68195 1.49429 0.60915 C57 C 1.68936 1.45616 0.60802 C58 C 1.65235 1.41048 0.57982 C59 C 1.60738 1.40387 0.55327 C60 C 1.59968 1.44181 0.55371 C61 C 1.63701 1.48769 0.57994 C62 C 1.65794 1.56710 0.55621 N13 N 1.62701 1.52440 0.58337 H35 H 1.72133 1.65878 0.59098 N14 N 1.32669 1.62259 0.58681 N15 N 1.70525 1.37910 0.58019 C63 C 1.66053 1.37025 0.58000 H36 H 1.72439 1.46148 0.63099 C64 C 1.71225 1.73878 0.62632 C65 C 1.75873 1.75857 0.58160 C66 C 1.69997 1.76779 0.69671 C67 C 1.79231 1.80609 0.60537 H37 H 1.76929 1.73720 0.52485 C68 C 1.73243 1.81476 0.72126 H38 H 1.66420 1.75323 0.73492 C69 C 1.77865 1.83410 0.67530 C70 C 1.84032 1.82871 0.55761 H39 H 1.72237 1.83679 0.77607 O1 O 1.80851 1.88083 0.70113 H40 H 1.85099 1.80839 0.49676 C71 C 1.87127 1.87423 0.58419 C72 C 1.85987 1.90470 0.66621 H41 H 1.90687 1.89103 0.54313 C73 C 1.88803 1.92327 0.79782 N16 N 1.86907 1.94801 0.60109 C74 C 1.88864 1.96984 0.81149 C75 C 1.86287 1.88885 0.90788 C76 C 1.93895 1.93302 0.78732 C77 C 1.84636 1.94506 0.48023 C78 C 1.87763 1.98234 0.69267 C79 C 1.89805 1.99884 0.91751 H42 H 1.85783 1.85383 0.88671 H43 H 1.88340 1.90124 0.99660 H44 H 1.82815 1.88468 0.92692 H45 H 1.95944 1.95186 0.87219 H46 H 1.94007 1.90024 0.77990 H47 H 1.95729 1.95493 0.70407 H48 H 1.81004 1.93882 0.49131 H49 H 1.86678 1.97784 0.42489 H50 H 1.84429 1.91598 0.42291 C80 C 1.87660 2.02427 0.67813 H51 H 1.90621 1.98921 1.01075 C81 C 1.89615 2.04041 0.90420 H52 H 1.86793 2.03423 0.58633 C82 C 1.88575 2.05280 0.78598 H53 H 1.90291 2.06339 0.98735 H54 H 1.88420 2.08537 0.77757 H55 H 1.00949 1.28000 0.60350 H56 H 1.27417 1.98935 0.61854 C3 C 1.34799 2.03932 0.58344 N1 N 1.39990 2.00761 0.56672 C23 C 2.00415 1.31024 0.59104 C24 C 2.03401 1.39393 0.57395 H1 H 0.40610 0.93123 1.54044 H2 H 0.25989 0.72308 1.54229 H3 H 0.26320 0.80063 1.54508 H4 H 0.41232 0.87001 1.63730 H5 H 0.40863 0.79279 1.63082 C1 C 0.31682 0.95621 1.60315 C2 C 0.30955 0.99444 1.60363 C3 C 0.34799 0.03932 1.58344 C4 C 0.39314 0.04472 1.56781 N1 N 0.39990 0.00761 1.56672 C5 C 0.36265 0.96405 1.58201 C6 C 0.37040 0.92370 1.57252 C7 C 0.29331 0.75558 1.56229 C8 C 0.29508 0.79873 1.56456 C9 C 0.33789 0.84068 1.58938 C10 C 0.37887 0.83811 1.61356 C11 C 0.37674 0.79471 1.61109 C12 C 0.33408 0.75287 1.58586 C13 C 0.33156 0.70674 1.58593 N2 N 0.62297 0.32638 1.58059 N3 N 0.33586 0.88212 1.59587 N4 N 0.37201 0.70573 1.58675 H6 H 0.47256 0.18237 1.63894 H7 H 0.54095 0.26352 1.63384 H8 H 0.63270 0.20935 1.53529 H9 H 0.56395 0.12755 1.53490 H10 H 0.42602 0.11979 1.51448 C14 C 0.63160 0.29041 1.58139 C15 C 0.50738 0.18799 1.61225 C16 C 0.54582 0.23355 1.61105 C17 C 0.59123 0.24188 1.58267 C18 C 0.59727 0.20315 1.55689 C19 C 0.55901 0.15744 1.55752 C20 C 0.51338 0.14933 1.58300 C21 C 0.43403 0.09254 1.55310 N5 N 0.47575 0.10283 1.58628 H11 H 0.28745 0.92017 1.61780 H12 H 0.34334 0.07021 1.58254 H13 H 0.06548 0.47031 1.53496 H14 H 0.27435 0.53981 1.54157 H15 H 0.19844 0.46337 1.54224 H16 H 0.12413 0.53788 1.63444 H17 H 0.19972 0.61355 1.63023 C22 C 0.04226 0.35602 1.59078 C23 C 0.00415 0.31024 1.59104 C24 C 0.03401 0.39393 1.57395 C25 C 0.07374 0.44259 1.56628 C26 C 0.24107 0.53901 1.56106 C27 C 0.19889 0.49644 1.56221 C28 C 0.15607 0.49531 1.58622 C29 C 0.15677 0.53796 1.61097 C30 C 0.19928 0.58048 1.60984 C31 C 0.24195 0.58164 1.58508 C32 C 0.28756 0.62600 1.58581 N6 N 0.11557 0.45083 1.59095 H18 H 0.07842 0.36291 1.60256 C33 C 0.95902 0.30343 1.57468 C34 C 0.95334 0.34308 1.56180 N7 N 0.99033 0.38722 1.56121 H19 H 0.81604 0.28707 1.63591 H20 H 0.79406 0.42363 1.53529 H21 H 0.87477 0.43434 1.53355 H22 H 0.87765 0.30111 1.51281 C35 C 0.81150 0.31699 1.60993 C36 C 0.76659 0.31118 1.60937 C37 C 0.75962 0.34919 1.58176 C38 C 0.79912 0.39366 1.55625 C39 C 0.84423 0.39979 1.55612 C40 C 0.85092 0.36132 1.58057 C41 C 0.90570 0.33647 1.54957 N8 N 0.89685 0.36892 1.58213 H23 H 0.92821 0.26765 1.57404 N9 N 0.28873 0.66753 1.58549 N10 N 0.67537 0.29685 1.58137 C42 C 0.71143 0.34160 1.58093 H24 H 0.73594 0.27663 1.63198 H25 H 0.51568 0.58430 1.53418 H26 H 0.45787 0.73400 1.54627 H27 H 0.53069 0.72808 1.54808 H28 H 0.44682 0.57903 1.63777 H29 H 0.37458 0.58532 1.63277 C43 C 0.62824 0.67703 1.59405 C44 C 0.67563 0.68920 1.60152 C45 C 0.59266 0.62987 1.57641 C46 C 0.54368 0.61997 1.56790 C47 C 0.45569 0.70005 1.56562 C48 C 0.49625 0.69684 1.56736 C49 C 0.49370 0.65324 1.59054 C50 C 0.44949 0.61296 1.61501 C51 C 0.40907 0.61657 1.61329 C52 C 0.41149 0.65989 1.58851 C53 C 0.36831 0.66300 1.58730 N11 N 0.53649 0.65405 1.59484 H30 H 0.61743 0.70369 1.60012 C54 C 0.68506 0.65221 1.58594 C55 C 0.64754 0.60567 1.56884 N12 N 0.60217 0.59473 1.56511 H31 H 0.71116 0.52931 1.63563 H32 H 0.57824 0.36824 1.53156 H33 H 0.56466 0.43643 1.53096 H34 H 0.69456 0.57752 1.52327 C56 C 0.68195 0.49429 1.60915 C57 C 0.68936 0.45616 1.60802 C58 C 0.65235 0.41048 1.57982 C59 C 0.60738 0.40387 1.55327 C60 C 0.59968 0.44181 1.55371 C61 C 0.63701 0.48769 1.57994 C62 C 0.65794 0.56710 1.55621 N13 N 0.62701 0.52440 1.58337 H35 H 0.72133 0.65878 1.59098 N14 N 0.32669 0.62259 1.58681 N15 N 0.70525 0.37910 1.58019 C63 C 0.66053 0.37025 1.58000 H36 H 0.72439 0.46148 1.63099 C64 C 0.71225 0.73878 1.62632 C65 C 0.75873 0.75857 1.58160 C66 C 0.69997 0.76779 1.69671 C67 C 0.79231 0.80609 1.60537 H37 H 0.76929 0.73720 1.52485 C68 C 0.73243 0.81476 1.72126 H38 H 0.66420 0.75323 1.73492 C69 C 0.77865 0.83410 1.67530 C70 C 0.84032 0.82871 1.55761 H39 H 0.72237 0.83679 1.77607 O1 O 0.80851 0.88083 1.70113 H40 H 0.85099 0.80839 1.49676 C71 C 0.87127 0.87423 1.58419 C72 C 0.85987 0.90470 1.66621 H41 H 0.90687 0.89103 1.54313 C73 C 0.88803 0.92327 1.79782 N16 N 0.86907 0.94801 1.60109 C74 C 0.88864 0.96984 1.81149 C75 C 0.86287 0.88885 1.90788 C76 C 0.93895 0.93302 1.78732 C77 C 0.84636 0.94506 1.48023 C78 C 0.87763 0.98234 1.69267 C79 C 0.89805 0.99884 1.91751 H42 H 0.85783 0.85383 1.88671 H43 H 0.88340 0.90124 1.99660 H44 H 0.82815 0.88468 1.92692 H45 H 0.95944 0.95186 1.87219 H46 H 0.94007 0.90024 1.77990 H47 H 0.95729 0.95493 1.70407 H48 H 0.81004 0.93882 1.49131 H49 H 0.86678 0.97784 1.42489 H50 H 0.84429 0.91598 1.42291 C80 C 0.87660 1.02427 1.67813 H51 H 0.90621 0.98921 2.01075 C81 C 0.89615 1.04041 1.90420 H52 H 0.86793 1.03423 1.58633 C82 C 0.88575 1.05280 1.78598 H53 H 0.90291 1.06339 1.98735 H54 H 0.88420 1.08537 1.77757 H55 H 0.00949 0.28000 1.60350 H56 H 0.27417 0.98935 1.61854 C2 C 0.30955 -0.00556 1.60363 C3 C 0.34799 1.03932 1.58344 N1 N 0.39990 1.00761 1.56672 C5 C 0.36265 -0.03595 1.58201 C23 C 1.00415 0.31024 1.59104 C24 C 1.03401 0.39393 1.57395 C33 C -0.04098 0.30343 1.57468 N7 N -0.00967 0.38722 1.56121 H1 H 0.40610 1.93123 1.54044 H2 H 0.25989 1.72308 1.54229 H3 H 0.26320 1.80063 1.54508 H4 H 0.41232 1.87001 1.63730 H5 H 0.40863 1.79279 1.63082 C1 C 0.31682 1.95621 1.60315 C2 C 0.30955 1.99444 1.60363 C4 C 0.39314 1.04472 1.56781 C5 C 0.36265 1.96405 1.58201 C6 C 0.37040 1.92370 1.57252 C7 C 0.29331 1.75558 1.56229 C8 C 0.29508 1.79873 1.56456 C9 C 0.33789 1.84068 1.58938 C10 C 0.37887 1.83811 1.61356 C11 C 0.37674 1.79471 1.61109 C12 C 0.33408 1.75287 1.58586 C13 C 0.33156 1.70674 1.58593 N2 N 0.62297 1.32638 1.58059 N3 N 0.33586 1.88212 1.59587 N4 N 0.37201 1.70573 1.58675 H6 H 0.47256 1.18237 1.63894 H7 H 0.54095 1.26352 1.63384 H8 H 0.63270 1.20935 1.53529 H9 H 0.56395 1.12755 1.53490 H10 H 0.42602 1.11979 1.51448 C14 C 0.63160 1.29041 1.58139 C15 C 0.50738 1.18799 1.61225 C16 C 0.54582 1.23355 1.61105 C17 C 0.59123 1.24188 1.58267 C18 C 0.59727 1.20315 1.55689 C19 C 0.55901 1.15744 1.55752 C20 C 0.51338 1.14933 1.58300 C21 C 0.43403 1.09254 1.55310 N5 N 0.47575 1.10283 1.58628 H11 H 0.28745 1.92017 1.61780 H12 H 0.34334 1.07021 1.58254 H13 H 0.06548 1.47031 1.53496 H14 H 0.27435 1.53981 1.54157 H15 H 0.19844 1.46337 1.54224 H16 H 0.12413 1.53788 1.63444 H17 H 0.19972 1.61355 1.63023 C22 C 0.04226 1.35602 1.59078 C23 C 0.00415 1.31024 1.59104 C24 C 0.03401 1.39393 1.57395 C25 C 0.07374 1.44259 1.56628 C26 C 0.24107 1.53901 1.56106 C27 C 0.19889 1.49644 1.56221 C28 C 0.15607 1.49531 1.58622 C29 C 0.15677 1.53796 1.61097 C30 C 0.19928 1.58048 1.60984 C31 C 0.24195 1.58164 1.58508 C32 C 0.28756 1.62600 1.58581 N6 N 0.11557 1.45083 1.59095 H18 H 0.07842 1.36291 1.60256 C33 C 0.95902 1.30343 1.57468 C34 C 0.95334 1.34308 1.56180 N7 N 0.99033 1.38722 1.56121 H19 H 0.81604 1.28707 1.63591 H20 H 0.79406 1.42363 1.53529 H21 H 0.87477 1.43434 1.53355 H22 H 0.87765 1.30111 1.51281 C35 C 0.81150 1.31699 1.60993 C36 C 0.76659 1.31118 1.60937 C37 C 0.75962 1.34919 1.58176 C38 C 0.79912 1.39366 1.55625 C39 C 0.84423 1.39979 1.55612 C40 C 0.85092 1.36132 1.58057 C41 C 0.90570 1.33647 1.54957 N8 N 0.89685 1.36892 1.58213 H23 H 0.92821 1.26765 1.57404 N9 N 0.28873 1.66753 1.58549 N10 N 0.67537 1.29685 1.58137 C42 C 0.71143 1.34160 1.58093 H24 H 0.73594 1.27663 1.63198 H25 H 0.51568 1.58430 1.53418 H26 H 0.45787 1.73400 1.54627 H27 H 0.53069 1.72808 1.54808 H28 H 0.44682 1.57903 1.63777 H29 H 0.37458 1.58532 1.63277 C43 C 0.62824 1.67703 1.59405 C44 C 0.67563 1.68920 1.60152 C45 C 0.59266 1.62987 1.57641 C46 C 0.54368 1.61997 1.56790 C47 C 0.45569 1.70005 1.56562 C48 C 0.49625 1.69684 1.56736 C49 C 0.49370 1.65324 1.59054 C50 C 0.44949 1.61296 1.61501 C51 C 0.40907 1.61657 1.61329 C52 C 0.41149 1.65989 1.58851 C53 C 0.36831 1.66300 1.58730 N11 N 0.53649 1.65405 1.59484 H30 H 0.61743 1.70369 1.60012 C54 C 0.68506 1.65221 1.58594 C55 C 0.64754 1.60567 1.56884 N12 N 0.60217 1.59473 1.56511 H31 H 0.71116 1.52931 1.63563 H32 H 0.57824 1.36824 1.53156 H33 H 0.56466 1.43643 1.53096 H34 H 0.69456 1.57752 1.52327 C56 C 0.68195 1.49429 1.60915 C57 C 0.68936 1.45616 1.60802 C58 C 0.65235 1.41048 1.57982 C59 C 0.60738 1.40387 1.55327 C60 C 0.59968 1.44181 1.55371 C61 C 0.63701 1.48769 1.57994 C62 C 0.65794 1.56710 1.55621 N13 N 0.62701 1.52440 1.58337 H35 H 0.72133 1.65878 1.59098 N14 N 0.32669 1.62259 1.58681 N15 N 0.70525 1.37910 1.58019 C63 C 0.66053 1.37025 1.58000 H36 H 0.72439 1.46148 1.63099 C64 C 0.71225 1.73878 1.62632 C65 C 0.75873 1.75857 1.58160 C66 C 0.69997 1.76779 1.69671 C67 C 0.79231 1.80609 1.60537 H37 H 0.76929 1.73720 1.52485 C68 C 0.73243 1.81476 1.72126 H38 H 0.66420 1.75323 1.73492 C69 C 0.77865 1.83410 1.67530 C70 C 0.84032 1.82871 1.55761 H39 H 0.72237 1.83679 1.77607 O1 O 0.80851 1.88083 1.70113 H40 H 0.85099 1.80839 1.49676 C71 C 0.87127 1.87423 1.58419 C72 C 0.85987 1.90470 1.66621 H41 H 0.90687 1.89103 1.54313 C73 C 0.88803 1.92327 1.79782 N16 N 0.86907 1.94801 1.60109 C74 C 0.88864 1.96984 1.81149 C75 C 0.86287 1.88885 1.90788 C76 C 0.93895 1.93302 1.78732 C77 C 0.84636 1.94506 1.48023 C78 C 0.87763 1.98234 1.69267 C79 C 0.89805 1.99884 1.91751 H42 H 0.85783 1.85383 1.88671 H43 H 0.88340 1.90124 1.99660 H44 H 0.82815 1.88468 1.92692 H45 H 0.95944 1.95186 1.87219 H46 H 0.94007 1.90024 1.77990 H47 H 0.95729 1.95493 1.70407 H48 H 0.81004 1.93882 1.49131 H49 H 0.86678 1.97784 1.42489 H50 H 0.84429 1.91598 1.42291 C80 C 0.87660 2.02427 1.67813 H51 H 0.90621 1.98921 2.01075 C81 C 0.89615 2.04041 1.90420 H52 H 0.86793 2.03423 1.58633 C82 C 0.88575 2.05280 1.78598 H53 H 0.90291 2.06339 1.98735 H54 H 0.88420 2.08537 1.77757 H55 H 0.00949 1.28000 1.60350 H56 H 0.27417 1.98935 1.61854 C3 C 0.34799 2.03932 1.58344 N1 N 0.39990 2.00761 1.56672 C23 C 1.00415 1.31024 1.59104 C24 C 1.03401 1.39393 1.57395 C33 C -0.04098 1.30343 1.57468 N7 N -0.00967 1.38722 1.56121 H1 H 1.40610 0.93123 1.54044 H2 H 1.25989 0.72308 1.54229 H3 H 1.26320 0.80063 1.54508 H4 H 1.41232 0.87001 1.63730 H5 H 1.40863 0.79279 1.63082 C1 C 1.31682 0.95621 1.60315 C2 C 1.30955 0.99444 1.60363 C3 C 1.34799 0.03932 1.58344 C4 C 1.39314 0.04472 1.56781 N1 N 1.39990 0.00761 1.56672 C5 C 1.36265 0.96405 1.58201 C6 C 1.37040 0.92370 1.57252 C7 C 1.29331 0.75558 1.56229 C8 C 1.29508 0.79873 1.56456 C9 C 1.33789 0.84068 1.58938 C10 C 1.37887 0.83811 1.61356 C11 C 1.37674 0.79471 1.61109 C12 C 1.33408 0.75287 1.58586 C13 C 1.33156 0.70674 1.58593 N2 N 1.62297 0.32638 1.58059 N3 N 1.33586 0.88212 1.59587 N4 N 1.37201 0.70573 1.58675 H6 H 1.47256 0.18237 1.63894 H7 H 1.54095 0.26352 1.63384 H8 H 1.63270 0.20935 1.53529 H9 H 1.56395 0.12755 1.53490 H10 H 1.42602 0.11979 1.51448 C14 C 1.63160 0.29041 1.58139 C15 C 1.50738 0.18799 1.61225 C16 C 1.54582 0.23355 1.61105 C17 C 1.59123 0.24188 1.58267 C18 C 1.59727 0.20315 1.55689 C19 C 1.55901 0.15744 1.55752 C20 C 1.51338 0.14933 1.58300 C21 C 1.43403 0.09254 1.55310 N5 N 1.47575 0.10283 1.58628 H11 H 1.28745 0.92017 1.61780 H12 H 1.34334 0.07021 1.58254 H13 H 1.06548 0.47031 1.53496 H14 H 1.27435 0.53981 1.54157 H15 H 1.19844 0.46337 1.54224 H16 H 1.12413 0.53788 1.63444 H17 H 1.19972 0.61355 1.63023 C22 C 1.04226 0.35602 1.59078 C25 C 1.07374 0.44259 1.56628 C26 C 1.24107 0.53901 1.56106 C27 C 1.19889 0.49644 1.56221 C28 C 1.15607 0.49531 1.58622 C29 C 1.15677 0.53796 1.61097 C30 C 1.19928 0.58048 1.60984 C31 C 1.24195 0.58164 1.58508 C32 C 1.28756 0.62600 1.58581 N6 N 1.11557 0.45083 1.59095 H18 H 1.07842 0.36291 1.60256 C33 C 1.95902 0.30343 1.57468 C34 C 1.95334 0.34308 1.56180 N7 N 1.99033 0.38722 1.56121 H19 H 1.81604 0.28707 1.63591 H20 H 1.79406 0.42363 1.53529 H21 H 1.87477 0.43434 1.53355 H22 H 1.87765 0.30111 1.51281 C35 C 1.81150 0.31699 1.60993 C36 C 1.76659 0.31118 1.60937 C37 C 1.75962 0.34919 1.58176 C38 C 1.79912 0.39366 1.55625 C39 C 1.84423 0.39979 1.55612 C40 C 1.85092 0.36132 1.58057 C41 C 1.90570 0.33647 1.54957 N8 N 1.89685 0.36892 1.58213 H23 H 1.92821 0.26765 1.57404 N9 N 1.28873 0.66753 1.58549 N10 N 1.67537 0.29685 1.58137 C42 C 1.71143 0.34160 1.58093 H24 H 1.73594 0.27663 1.63198 H25 H 1.51568 0.58430 1.53418 H26 H 1.45787 0.73400 1.54627 H27 H 1.53069 0.72808 1.54808 H28 H 1.44682 0.57903 1.63777 H29 H 1.37458 0.58532 1.63277 C43 C 1.62824 0.67703 1.59405 C44 C 1.67563 0.68920 1.60152 C45 C 1.59266 0.62987 1.57641 C46 C 1.54368 0.61997 1.56790 C47 C 1.45569 0.70005 1.56562 C48 C 1.49625 0.69684 1.56736 C49 C 1.49370 0.65324 1.59054 C50 C 1.44949 0.61296 1.61501 C51 C 1.40907 0.61657 1.61329 C52 C 1.41149 0.65989 1.58851 C53 C 1.36831 0.66300 1.58730 N11 N 1.53649 0.65405 1.59484 H30 H 1.61743 0.70369 1.60012 C54 C 1.68506 0.65221 1.58594 C55 C 1.64754 0.60567 1.56884 N12 N 1.60217 0.59473 1.56511 H31 H 1.71116 0.52931 1.63563 H32 H 1.57824 0.36824 1.53156 H33 H 1.56466 0.43643 1.53096 H34 H 1.69456 0.57752 1.52327 C56 C 1.68195 0.49429 1.60915 C57 C 1.68936 0.45616 1.60802 C58 C 1.65235 0.41048 1.57982 C59 C 1.60738 0.40387 1.55327 C60 C 1.59968 0.44181 1.55371 C61 C 1.63701 0.48769 1.57994 C62 C 1.65794 0.56710 1.55621 N13 N 1.62701 0.52440 1.58337 H35 H 1.72133 0.65878 1.59098 N14 N 1.32669 0.62259 1.58681 N15 N 1.70525 0.37910 1.58019 C63 C 1.66053 0.37025 1.58000 H36 H 1.72439 0.46148 1.63099 C64 C 1.71225 0.73878 1.62632 C65 C 1.75873 0.75857 1.58160 C66 C 1.69997 0.76779 1.69671 C67 C 1.79231 0.80609 1.60537 H37 H 1.76929 0.73720 1.52485 C68 C 1.73243 0.81476 1.72126 H38 H 1.66420 0.75323 1.73492 C69 C 1.77865 0.83410 1.67530 C70 C 1.84032 0.82871 1.55761 H39 H 1.72237 0.83679 1.77607 O1 O 1.80851 0.88083 1.70113 H40 H 1.85099 0.80839 1.49676 C71 C 1.87127 0.87423 1.58419 C72 C 1.85987 0.90470 1.66621 H41 H 1.90687 0.89103 1.54313 C73 C 1.88803 0.92327 1.79782 N16 N 1.86907 0.94801 1.60109 C74 C 1.88864 0.96984 1.81149 C75 C 1.86287 0.88885 1.90788 C76 C 1.93895 0.93302 1.78732 C77 C 1.84636 0.94506 1.48023 C78 C 1.87763 0.98234 1.69267 C79 C 1.89805 0.99884 1.91751 H42 H 1.85783 0.85383 1.88671 H43 H 1.88340 0.90124 1.99660 H44 H 1.82815 0.88468 1.92692 H45 H 1.95944 0.95186 1.87219 H46 H 1.94007 0.90024 1.77990 H47 H 1.95729 0.95493 1.70407 H48 H 1.81004 0.93882 1.49131 H49 H 1.86678 0.97784 1.42489 H50 H 1.84429 0.91598 1.42291 C80 C 1.87660 1.02427 1.67813 H51 H 1.90621 0.98921 2.01075 C81 C 1.89615 1.04041 1.90420 H52 H 1.86793 1.03423 1.58633 C82 C 1.88575 1.05280 1.78598 H53 H 1.90291 1.06339 1.98735 H54 H 1.88420 1.08537 1.77757 H55 H 1.00949 0.28000 1.60350 H56 H 1.27417 0.98935 1.61854 C2 C 1.30955 -0.00556 1.60363 C3 C 1.34799 1.03932 1.58344 N1 N 1.39990 1.00761 1.56672 C5 C 1.36265 -0.03595 1.58201 C23 C 2.00415 0.31024 1.59104 C24 C 2.03401 0.39393 1.57395 H1 H 1.40610 1.93123 1.54044 H2 H 1.25989 1.72308 1.54229 H3 H 1.26320 1.80063 1.54508 H4 H 1.41232 1.87001 1.63730 H5 H 1.40863 1.79279 1.63082 C1 C 1.31682 1.95621 1.60315 C2 C 1.30955 1.99444 1.60363 C4 C 1.39314 1.04472 1.56781 C5 C 1.36265 1.96405 1.58201 C6 C 1.37040 1.92370 1.57252 C7 C 1.29331 1.75558 1.56229 C8 C 1.29508 1.79873 1.56456 C9 C 1.33789 1.84068 1.58938 C10 C 1.37887 1.83811 1.61356 C11 C 1.37674 1.79471 1.61109 C12 C 1.33408 1.75287 1.58586 C13 C 1.33156 1.70674 1.58593 N2 N 1.62297 1.32638 1.58059 N3 N 1.33586 1.88212 1.59587 N4 N 1.37201 1.70573 1.58675 H6 H 1.47256 1.18237 1.63894 H7 H 1.54095 1.26352 1.63384 H8 H 1.63270 1.20935 1.53529 H9 H 1.56395 1.12755 1.53490 H10 H 1.42602 1.11979 1.51448 C14 C 1.63160 1.29041 1.58139 C15 C 1.50738 1.18799 1.61225 C16 C 1.54582 1.23355 1.61105 C17 C 1.59123 1.24188 1.58267 C18 C 1.59727 1.20315 1.55689 C19 C 1.55901 1.15744 1.55752 C20 C 1.51338 1.14933 1.58300 C21 C 1.43403 1.09254 1.55310 N5 N 1.47575 1.10283 1.58628 H11 H 1.28745 1.92017 1.61780 H12 H 1.34334 1.07021 1.58254 H13 H 1.06548 1.47031 1.53496 H14 H 1.27435 1.53981 1.54157 H15 H 1.19844 1.46337 1.54224 H16 H 1.12413 1.53788 1.63444 H17 H 1.19972 1.61355 1.63023 C22 C 1.04226 1.35602 1.59078 C25 C 1.07374 1.44259 1.56628 C26 C 1.24107 1.53901 1.56106 C27 C 1.19889 1.49644 1.56221 C28 C 1.15607 1.49531 1.58622 C29 C 1.15677 1.53796 1.61097 C30 C 1.19928 1.58048 1.60984 C31 C 1.24195 1.58164 1.58508 C32 C 1.28756 1.62600 1.58581 N6 N 1.11557 1.45083 1.59095 H18 H 1.07842 1.36291 1.60256 C33 C 1.95902 1.30343 1.57468 C34 C 1.95334 1.34308 1.56180 N7 N 1.99033 1.38722 1.56121 H19 H 1.81604 1.28707 1.63591 H20 H 1.79406 1.42363 1.53529 H21 H 1.87477 1.43434 1.53355 H22 H 1.87765 1.30111 1.51281 C35 C 1.81150 1.31699 1.60993 C36 C 1.76659 1.31118 1.60937 C37 C 1.75962 1.34919 1.58176 C38 C 1.79912 1.39366 1.55625 C39 C 1.84423 1.39979 1.55612 C40 C 1.85092 1.36132 1.58057 C41 C 1.90570 1.33647 1.54957 N8 N 1.89685 1.36892 1.58213 H23 H 1.92821 1.26765 1.57404 N9 N 1.28873 1.66753 1.58549 N10 N 1.67537 1.29685 1.58137 C42 C 1.71143 1.34160 1.58093 H24 H 1.73594 1.27663 1.63198 H25 H 1.51568 1.58430 1.53418 H26 H 1.45787 1.73400 1.54627 H27 H 1.53069 1.72808 1.54808 H28 H 1.44682 1.57903 1.63777 H29 H 1.37458 1.58532 1.63277 C43 C 1.62824 1.67703 1.59405 C44 C 1.67563 1.68920 1.60152 C45 C 1.59266 1.62987 1.57641 C46 C 1.54368 1.61997 1.56790 C47 C 1.45569 1.70005 1.56562 C48 C 1.49625 1.69684 1.56736 C49 C 1.49370 1.65324 1.59054 C50 C 1.44949 1.61296 1.61501 C51 C 1.40907 1.61657 1.61329 C52 C 1.41149 1.65989 1.58851 C53 C 1.36831 1.66300 1.58730 N11 N 1.53649 1.65405 1.59484 H30 H 1.61743 1.70369 1.60012 C54 C 1.68506 1.65221 1.58594 C55 C 1.64754 1.60567 1.56884 N12 N 1.60217 1.59473 1.56511 H31 H 1.71116 1.52931 1.63563 H32 H 1.57824 1.36824 1.53156 H33 H 1.56466 1.43643 1.53096 H34 H 1.69456 1.57752 1.52327 C56 C 1.68195 1.49429 1.60915 C57 C 1.68936 1.45616 1.60802 C58 C 1.65235 1.41048 1.57982 C59 C 1.60738 1.40387 1.55327 C60 C 1.59968 1.44181 1.55371 C61 C 1.63701 1.48769 1.57994 C62 C 1.65794 1.56710 1.55621 N13 N 1.62701 1.52440 1.58337 H35 H 1.72133 1.65878 1.59098 N14 N 1.32669 1.62259 1.58681 N15 N 1.70525 1.37910 1.58019 C63 C 1.66053 1.37025 1.58000 H36 H 1.72439 1.46148 1.63099 C64 C 1.71225 1.73878 1.62632 C65 C 1.75873 1.75857 1.58160 C66 C 1.69997 1.76779 1.69671 C67 C 1.79231 1.80609 1.60537 H37 H 1.76929 1.73720 1.52485 C68 C 1.73243 1.81476 1.72126 H38 H 1.66420 1.75323 1.73492 C69 C 1.77865 1.83410 1.67530 C70 C 1.84032 1.82871 1.55761 H39 H 1.72237 1.83679 1.77607 O1 O 1.80851 1.88083 1.70113 H40 H 1.85099 1.80839 1.49676 C71 C 1.87127 1.87423 1.58419 C72 C 1.85987 1.90470 1.66621 H41 H 1.90687 1.89103 1.54313 C73 C 1.88803 1.92327 1.79782 N16 N 1.86907 1.94801 1.60109 C74 C 1.88864 1.96984 1.81149 C75 C 1.86287 1.88885 1.90788 C76 C 1.93895 1.93302 1.78732 C77 C 1.84636 1.94506 1.48023 C78 C 1.87763 1.98234 1.69267 C79 C 1.89805 1.99884 1.91751 H42 H 1.85783 1.85383 1.88671 H43 H 1.88340 1.90124 1.99660 H44 H 1.82815 1.88468 1.92692 H45 H 1.95944 1.95186 1.87219 H46 H 1.94007 1.90024 1.77990 H47 H 1.95729 1.95493 1.70407 H48 H 1.81004 1.93882 1.49131 H49 H 1.86678 1.97784 1.42489 H50 H 1.84429 1.91598 1.42291 C80 C 1.87660 2.02427 1.67813 H51 H 1.90621 1.98921 2.01075 C81 C 1.89615 2.04041 1.90420 H52 H 1.86793 2.03423 1.58633 C82 C 1.88575 2.05280 1.78598 H53 H 1.90291 2.06339 1.98735 H54 H 1.88420 2.08537 1.77757 H55 H 1.00949 1.28000 1.60350 H56 H 1.27417 1.98935 1.61854 C3 C 1.34799 2.03932 1.58344 N1 N 1.39990 2.00761 1.56672 C23 C 2.00415 1.31024 1.59104 C24 C 2.03401 1.39393 1.57395 H57 H 0.52949 0.59435 0.87149 H59 H 0.46867 0.74071 0.87508 H61 H 0.54269 0.73712 0.87752 H63 H 0.46192 0.58821 0.97147 H65 H 0.38858 0.59217 0.96533 C83 C 0.64400 0.68346 0.93845 C85 C 0.68961 0.69097 0.93863 C87 C 0.69602 0.65272 0.91692 C89 C 0.65615 0.60751 0.90029 N17 N 0.61218 0.60056 0.89889 C91 C 0.60590 0.63766 0.91536 C93 C 0.55777 0.62989 0.90506 C95 C 0.46745 0.70726 0.89543 C97 C 0.50873 0.70535 0.89753 C99 C 0.50753 0.66251 0.92265 C101 C 0.46375 0.62167 0.94744 C103 C 0.42257 0.62396 0.94516 C105 C 0.42371 0.66661 0.91949 C107 C 0.38016 0.66917 0.91934 N19 N 0.70726 0.37784 0.91418 N21 N 0.55091 0.66438 0.92929 N23 N 0.33846 0.62871 0.91889 H67 H 0.71474 0.52850 0.96909 H69 H 0.72709 0.46006 0.96413 H71 H 0.58046 0.36801 0.86729 H73 H 0.56780 0.43679 0.86679 H75 H 0.69831 0.57496 0.84534 C109 C 0.66264 0.36923 0.91386 C111 C 0.68529 0.49360 0.94287 C113 C 0.69219 0.45516 0.94167 C115 C 0.65477 0.40964 0.91406 C117 C 0.60992 0.40351 0.88851 C119 C 0.60270 0.44178 0.88907 C121 C 0.64050 0.48747 0.91433 C123 C 0.66308 0.56677 0.88478 N25 N 0.63170 0.52501 0.91825 H77 H 0.63731 0.71264 0.95472 H79 H 0.73163 0.65751 0.91585 H81 H 0.40905 0.93501 0.87183 H83 H 0.27049 0.72578 0.87869 H85 H 0.26965 0.80135 0.88228 H87 H 0.41910 0.87667 0.97241 H89 H 0.41949 0.80141 0.96540 C125 C 0.31742 0.95655 0.93432 C127 C 0.30921 0.99417 0.93556 C129 C 0.36376 0.96556 0.91486 C131 C 0.37318 0.92632 0.90579 C133 C 0.30302 0.75922 0.89840 C135 C 0.30246 0.80117 0.90117 C137 C 0.34425 0.84415 0.92545 C139 C 0.38648 0.84387 0.94880 C141 C 0.38666 0.80156 0.94607 C143 C 0.34505 0.75874 0.92103 C145 C 0.34374 0.71322 0.92023 N27 N 0.34002 0.88435 0.93189 H91 H 0.28847 0.92020 0.94732 C147 C 0.34714 0.03956 0.91759 C149 C 0.39270 0.04601 0.90219 N29 N 0.40039 0.00949 0.90061 H93 H 0.47404 0.18397 0.97229 H95 H 0.63276 0.20712 0.86806 H97 H 0.56275 0.12607 0.86759 H99 H 0.42555 0.12159 0.85302 C151 C 0.50854 0.18874 0.94554 C153 C 0.54764 0.23384 0.94423 C155 C 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0.28925 0.96935 H119 H 0.79415 0.42255 0.86752 H121 H 0.87583 0.43576 0.86509 H123 H 0.88557 0.30547 0.85289 C193 C 0.81558 0.31852 0.94336 C195 C 0.77009 0.31132 0.94330 C197 C 0.76172 0.34840 0.91534 C199 C 0.80037 0.39332 0.88871 C201 C 0.84596 0.40083 0.88814 C203 C 0.85416 0.36334 0.91332 C205 C 0.91214 0.34208 0.88577 N41 N 0.90080 0.37308 0.91465 H125 H 0.94134 0.27909 0.91405 N43 N 0.30100 0.67408 0.91996 N45 N 0.67717 0.29553 0.91507 C207 C 0.71331 0.34026 0.91483 H127 H 0.74016 0.27637 0.96659 C209 C 0.03195 0.29007 0.94297 C211 C 0.00640 0.24382 0.89524 C213 C 0.07411 0.30364 1.01100 C215 C 0.02262 0.21184 0.91269 H129 H -0.02639 0.23226 0.84115 C217 C 0.09109 0.27293 1.02818 H131 H 0.09414 0.33905 1.05274 C219 C 0.06557 0.22710 0.97822 C221 C -0.00182 0.16387 0.86377 H133 H 0.12401 0.28402 1.08042 O2 O 0.08507 0.19915 0.99525 H135 H -0.03368 0.15214 0.80546 C223 C 0.01429 0.13409 0.88741 C225 C 0.05751 0.14727 0.96590 H137 H -0.00439 0.09823 0.84758 C227 C 0.05039 0.12148 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0.88851 C119 C 0.60270 1.44178 0.88907 C121 C 0.64050 1.48747 0.91433 C123 C 0.66308 1.56677 0.88478 N25 N 0.63170 1.52501 0.91825 H77 H 0.63731 1.71264 0.95472 H79 H 0.73163 1.65751 0.91585 H81 H 0.40905 1.93501 0.87183 H83 H 0.27049 1.72578 0.87869 H85 H 0.26965 1.80135 0.88228 H87 H 0.41910 1.87667 0.97241 H89 H 0.41949 1.80141 0.96540 C125 C 0.31742 1.95655 0.93432 C127 C 0.30921 1.99417 0.93556 C129 C 0.36376 1.96556 0.91486 C131 C 0.37318 1.92632 0.90579 C133 C 0.30302 1.75922 0.89840 C135 C 0.30246 1.80117 0.90117 C137 C 0.34425 1.84415 0.92545 C139 C 0.38648 1.84387 0.94880 C141 C 0.38666 1.80156 0.94607 C143 C 0.34505 1.75874 0.92103 C145 C 0.34374 1.71322 0.92023 N27 N 0.34002 1.88435 0.93189 H91 H 0.28847 1.92020 0.94732 C149 C 0.39270 1.04601 0.90219 H93 H 0.47404 1.18397 0.97229 H95 H 0.63276 1.20712 0.86806 H97 H 0.56275 1.12607 0.86759 H99 H 0.42555 1.12159 0.85302 C151 C 0.50854 1.18874 0.94554 C153 C 0.54764 1.23384 0.94423 C155 C 0.59267 1.24111 0.91570 C157 C 0.59766 1.20177 0.88977 C159 C 0.55868 1.15649 0.89035 C161 C 0.51345 1.14945 0.91601 C163 C 0.43345 1.09391 0.88853 N31 N 0.47520 1.10334 0.91864 H101 H 0.34172 1.06998 0.91768 N33 N 0.38408 1.71204 0.91990 N35 N 0.62501 1.32544 0.91396 C165 C 0.63348 1.28937 0.91469 H103 H 0.54367 1.26435 0.96706 H105 H 0.07180 1.48593 0.86516 H107 H 0.27988 1.54277 0.87475 H109 H 0.20047 1.47024 0.87417 H111 H 0.13659 1.55464 0.96697 H113 H 0.21578 1.62659 0.96427 C167 C 0.05253 1.37337 0.91567 C169 C 0.01762 1.32575 0.92241 C171 C 0.04046 1.40859 0.90236 C173 C 0.07952 1.45778 0.89582 C175 C 0.24825 1.54513 0.89425 C177 C 0.20411 1.50474 0.89465 C179 C 0.16324 1.50753 0.91812 C181 C 0.16772 1.55180 0.94412 C183 C 0.21211 1.59205 0.94366 C185 C 0.25284 1.58938 0.91877 C187 C 0.29948 1.63244 0.91919 N37 N 0.12091 1.46484 0.92094 H115 H 0.09021 1.38470 0.91919 C189 C 0.97083 1.31562 0.90968 C191 C 0.96132 1.35281 0.89599 N39 N 0.99551 1.39843 0.89361 H117 H 0.82118 1.28925 0.96935 H119 H 0.79415 1.42255 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0.15810 0.77528 C237 C 1.12013 0.13412 0.99240 C239 C 1.12127 0.12141 1.22092 H139 H 1.00785 0.14837 1.18555 H141 H 1.03257 0.12666 1.29799 H143 H 1.06857 0.18194 1.22482 H145 H 1.01224 0.05034 1.17938 H147 H 0.97642 0.06539 1.08791 H149 H 1.01580 0.05117 1.01090 H151 H 1.13764 0.19536 0.77946 H153 H 1.12181 0.13778 0.72327 H155 H 1.07988 0.15686 0.71840 C241 C 1.16440 0.13814 0.97692 H157 H 1.10501 0.11526 1.31592 C243 C 1.16615 0.12661 1.20657 H159 H 1.18163 0.14514 0.88331 C245 C 1.18699 0.13443 1.08604 H161 H 1.18493 0.12440 1.29078 H163 H 1.22211 0.13835 1.07674 H165 H 1.27350 0.98826 0.95013 H167 H 1.71998 0.72639 0.95455 C127 C 1.30921 -0.00583 0.93556 C129 C 1.36376 -0.03444 0.91486 C147 C 1.34714 1.03956 0.91759 N29 N 1.40039 1.00949 0.90061 C169 C 2.01762 0.32575 0.92241 C171 C 2.04046 0.40859 0.90236 H57 H 1.52949 1.59435 0.87149 H59 H 1.46867 1.74071 0.87508 H61 H 1.54269 1.73712 0.87752 H63 H 1.46192 1.58821 0.97147 H65 H 1.38858 1.59217 0.96533 C83 C 1.64400 1.68346 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0.70535 1.89753 C99 C 0.50753 0.66251 1.92265 C101 C 0.46375 0.62167 1.94744 C103 C 0.42257 0.62396 1.94516 C105 C 0.42371 0.66661 1.91949 C107 C 0.38016 0.66917 1.91934 N19 N 0.70726 0.37784 1.91418 N21 N 0.55091 0.66438 1.92929 N23 N 0.33846 0.62871 1.91889 H67 H 0.71474 0.52850 1.96909 H69 H 0.72709 0.46006 1.96413 H71 H 0.58046 0.36801 1.86729 H73 H 0.56780 0.43679 1.86679 H75 H 0.69831 0.57496 1.84534 C109 C 0.66264 0.36923 1.91386 C111 C 0.68529 0.49360 1.94287 C113 C 0.69219 0.45516 1.94167 C115 C 0.65477 0.40964 1.91406 C117 C 0.60992 0.40351 1.88851 C119 C 0.60270 0.44178 1.88907 C121 C 0.64050 0.48747 1.91433 C123 C 0.66308 0.56677 1.88478 N25 N 0.63170 0.52501 1.91825 H77 H 0.63731 0.71264 1.95472 H79 H 0.73163 0.65751 1.91585 H81 H 0.40905 0.93501 1.87183 H83 H 0.27049 0.72578 1.87869 H85 H 0.26965 0.80135 1.88228 H87 H 0.41910 0.87667 1.97241 H89 H 0.41949 0.80141 1.96540 C125 C 0.31742 0.95655 1.93432 C127 C 0.30921 0.99417 1.93556 C129 C 0.36376 0.96556 1.91486 C131 C 0.37318 0.92632 1.90579 C133 C 0.30302 0.75922 1.89840 C135 C 0.30246 0.80117 1.90117 C137 C 0.34425 0.84415 1.92545 C139 C 0.38648 0.84387 1.94880 C141 C 0.38666 0.80156 1.94607 C143 C 0.34505 0.75874 1.92103 C145 C 0.34374 0.71322 1.92023 N27 N 0.34002 0.88435 1.93189 H91 H 0.28847 0.92020 1.94732 C147 C 0.34714 0.03956 1.91759 C149 C 0.39270 0.04601 1.90219 N29 N 0.40039 0.00949 1.90061 H93 H 0.47404 0.18397 1.97229 H95 H 0.63276 0.20712 1.86806 H97 H 0.56275 0.12607 1.86759 H99 H 0.42555 0.12159 1.85302 C151 C 0.50854 0.18874 1.94554 C153 C 0.54764 0.23384 1.94423 C155 C 0.59267 0.24111 1.91570 C157 C 0.59766 0.20177 1.88977 C159 C 0.55868 0.15649 1.89035 C161 C 0.51345 0.14945 1.91601 C163 C 0.43345 0.09391 1.88853 N31 N 0.47520 0.10334 1.91864 H101 H 0.34172 0.06998 1.91768 N33 N 0.38408 0.71204 1.91990 N35 N 0.62501 0.32544 1.91396 C165 C 0.63348 0.28937 1.91469 H103 H 0.54367 0.26435 1.96706 H105 H 0.07180 0.48593 1.86516 H107 H 0.27988 0.54277 1.87475 H109 H 0.20047 0.47024 1.87417 H111 H 0.13659 0.55464 1.96697 H113 H 0.21578 0.62659 1.96427 C167 C 0.05253 0.37337 1.91567 C169 C 0.01762 0.32575 1.92241 C171 C 0.04046 0.40859 1.90236 C173 C 0.07952 0.45778 1.89582 C175 C 0.24825 0.54513 1.89425 C177 C 0.20411 0.50474 1.89465 C179 C 0.16324 0.50753 1.91812 C181 C 0.16772 0.55180 1.94412 C183 C 0.21211 0.59205 1.94366 C185 C 0.25284 0.58938 1.91877 C187 C 0.29948 0.63244 1.91919 N37 N 0.12091 0.46484 1.92094 H115 H 0.09021 0.38470 1.91919 C189 C 0.97083 0.31562 1.90968 C191 C 0.96132 0.35281 1.89599 N39 N 0.99551 0.39843 1.89361 H117 H 0.82118 0.28925 1.96935 H119 H 0.79415 0.42255 1.86752 H121 H 0.87583 0.43576 1.86509 H123 H 0.88557 0.30547 1.85289 C193 C 0.81558 0.31852 1.94336 C195 C 0.77009 0.31132 1.94330 C197 C 0.76172 0.34840 1.91534 C199 C 0.80037 0.39332 1.88871 C201 C 0.84596 0.40083 1.88814 C203 C 0.85416 0.36334 1.91332 C205 C 0.91214 0.34208 1.88577 N41 N 0.90080 0.37308 1.91465 H125 H 0.94134 0.27909 1.91405 N43 N 0.30100 0.67408 1.91996 N45 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0.13764 0.19536 1.77946 H153 H 0.12181 0.13778 1.72327 H155 H 0.07988 0.15686 1.71840 C241 C 0.16440 0.13814 1.97692 H157 H 0.10501 0.11526 2.31592 C243 C 0.16615 0.12661 2.20657 H159 H 0.18163 0.14514 1.88331 C245 C 0.18699 0.13443 2.08604 H161 H 0.18493 0.12440 2.29078 H163 H 0.22211 0.13835 2.07674 H165 H 0.27350 0.98826 1.95013 H167 H 0.71998 0.72639 1.95455 C127 C 0.30921 -0.00583 1.93556 C129 C 0.36376 -0.03444 1.91486 C147 C 0.34714 1.03956 1.91759 N29 N 0.40039 1.00949 1.90061 C169 C 1.01762 0.32575 1.92241 C171 C 1.04046 0.40859 1.90236 C189 C -0.02917 0.31562 1.90968 N39 N -0.00449 0.39843 1.89361 H57 H 0.52949 1.59435 1.87149 H59 H 0.46867 1.74071 1.87508 H61 H 0.54269 1.73712 1.87752 H63 H 0.46192 1.58821 1.97147 H65 H 0.38858 1.59217 1.96533 C83 C 0.64400 1.68346 1.93845 C85 C 0.68961 1.69097 1.93863 C87 C 0.69602 1.65272 1.91692 C89 C 0.65615 1.60751 1.90029 N17 N 0.61218 1.60056 1.89889 C91 C 0.60590 1.63766 1.91536 C93 C 0.55777 1.62989 1.90506 C95 C 0.46745 1.70726 1.89543 C97 C 0.50873 1.70535 1.89753 C99 C 0.50753 1.66251 1.92265 C101 C 0.46375 1.62167 1.94744 C103 C 0.42257 1.62396 1.94516 C105 C 0.42371 1.66661 1.91949 C107 C 0.38016 1.66917 1.91934 N19 N 0.70726 1.37784 1.91418 N21 N 0.55091 1.66438 1.92929 N23 N 0.33846 1.62871 1.91889 H67 H 0.71474 1.52850 1.96909 H69 H 0.72709 1.46006 1.96413 H71 H 0.58046 1.36801 1.86729 H73 H 0.56780 1.43679 1.86679 H75 H 0.69831 1.57496 1.84534 C109 C 0.66264 1.36923 1.91386 C111 C 0.68529 1.49360 1.94287 C113 C 0.69219 1.45516 1.94167 C115 C 0.65477 1.40964 1.91406 C117 C 0.60992 1.40351 1.88851 C119 C 0.60270 1.44178 1.88907 C121 C 0.64050 1.48747 1.91433 C123 C 0.66308 1.56677 1.88478 N25 N 0.63170 1.52501 1.91825 H77 H 0.63731 1.71264 1.95472 H79 H 0.73163 1.65751 1.91585 H81 H 0.40905 1.93501 1.87183 H83 H 0.27049 1.72578 1.87869 H85 H 0.26965 1.80135 1.88228 H87 H 0.41910 1.87667 1.97241 H89 H 0.41949 1.80141 1.96540 C125 C 0.31742 1.95655 1.93432 C127 C 0.30921 1.99417 1.93556 C129 C 0.36376 1.96556 1.91486 C131 C 0.37318 1.92632 1.90579 C133 C 0.30302 1.75922 1.89840 C135 C 0.30246 1.80117 1.90117 C137 C 0.34425 1.84415 1.92545 C139 C 0.38648 1.84387 1.94880 C141 C 0.38666 1.80156 1.94607 C143 C 0.34505 1.75874 1.92103 C145 C 0.34374 1.71322 1.92023 N27 N 0.34002 1.88435 1.93189 H91 H 0.28847 1.92020 1.94732 C149 C 0.39270 1.04601 1.90219 H93 H 0.47404 1.18397 1.97229 H95 H 0.63276 1.20712 1.86806 H97 H 0.56275 1.12607 1.86759 H99 H 0.42555 1.12159 1.85302 C151 C 0.50854 1.18874 1.94554 C153 C 0.54764 1.23384 1.94423 C155 C 0.59267 1.24111 1.91570 C157 C 0.59766 1.20177 1.88977 C159 C 0.55868 1.15649 1.89035 C161 C 0.51345 1.14945 1.91601 C163 C 0.43345 1.09391 1.88853 N31 N 0.47520 1.10334 1.91864 H101 H 0.34172 1.06998 1.91768 N33 N 0.38408 1.71204 1.91990 N35 N 0.62501 1.32544 1.91396 C165 C 0.63348 1.28937 1.91469 H103 H 0.54367 1.26435 1.96706 H105 H 0.07180 1.48593 1.86516 H107 H 0.27988 1.54277 1.87475 H109 H 0.20047 1.47024 1.87417 H111 H 0.13659 1.55464 1.96697 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1.90117 C137 C 1.34425 0.84415 1.92545 C139 C 1.38648 0.84387 1.94880 C141 C 1.38666 0.80156 1.94607 C143 C 1.34505 0.75874 1.92103 C145 C 1.34374 0.71322 1.92023 N27 N 1.34002 0.88435 1.93189 H91 H 1.28847 0.92020 1.94732 C147 C 1.34714 0.03956 1.91759 C149 C 1.39270 0.04601 1.90219 N29 N 1.40039 0.00949 1.90061 H93 H 1.47404 0.18397 1.97229 H95 H 1.63276 0.20712 1.86806 H97 H 1.56275 0.12607 1.86759 H99 H 1.42555 0.12159 1.85302 C151 C 1.50854 0.18874 1.94554 C153 C 1.54764 0.23384 1.94423 C155 C 1.59267 0.24111 1.91570 C157 C 1.59766 0.20177 1.88977 C159 C 1.55868 0.15649 1.89035 C161 C 1.51345 0.14945 1.91601 C163 C 1.43345 0.09391 1.88853 N31 N 1.47520 0.10334 1.91864 H101 H 1.34172 0.06998 1.91768 N33 N 1.38408 0.71204 1.91990 N35 N 1.62501 0.32544 1.91396 C165 C 1.63348 0.28937 1.91469 H103 H 1.54367 0.26435 1.96706 H105 H 1.07180 0.48593 1.86516 H107 H 1.27988 0.54277 1.87475 H109 H 1.20047 0.47024 1.87417 H111 H 1.13659 0.55464 1.96697 H113 H 1.21578 0.62659 1.96427 C167 C 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0.24382 1.89524 C213 C 1.07411 0.30364 2.01100 C215 C 1.02262 0.21184 1.91269 H129 H 0.97361 0.23226 1.84115 C217 C 1.09109 0.27293 2.02818 H131 H 1.09414 0.33905 2.05274 C219 C 1.06557 0.22710 1.97822 C221 C 0.99818 0.16387 1.86377 H133 H 1.12401 0.28402 2.08042 O2 O 1.08507 0.19915 1.99525 H135 H 0.96632 0.15214 1.80546 C223 C 1.01429 0.13409 1.88741 C225 C 1.05751 0.14727 1.96590 H137 H 0.99561 0.09823 1.84758 C227 C 1.05039 0.12148 2.10017 N47 N 1.09141 0.13796 1.90020 C229 C 1.09836 0.12510 2.11348 C231 C 1.03933 0.14607 2.20776 C233 C 1.01156 0.06924 2.09366 C235 C 1.10868 0.15810 1.77528 C237 C 1.12013 0.13412 1.99240 C239 C 1.12127 0.12141 2.22092 H139 H 1.00785 0.14837 2.18555 H141 H 1.03257 0.12666 2.29799 H143 H 1.06857 0.18194 2.22482 H145 H 1.01224 0.05034 2.17938 H147 H 0.97642 0.06539 2.08791 H149 H 1.01580 0.05117 2.01090 H151 H 1.13764 0.19536 1.77946 H153 H 1.12181 0.13778 1.72327 H155 H 1.07988 0.15686 1.71840 C241 C 1.16440 0.13814 1.97692 H157 H 1.10501 0.11526 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1.34505 1.75874 1.92103 C145 C 1.34374 1.71322 1.92023 N27 N 1.34002 1.88435 1.93189 H91 H 1.28847 1.92020 1.94732 C149 C 1.39270 1.04601 1.90219 H93 H 1.47404 1.18397 1.97229 H95 H 1.63276 1.20712 1.86806 H97 H 1.56275 1.12607 1.86759 H99 H 1.42555 1.12159 1.85302 C151 C 1.50854 1.18874 1.94554 C153 C 1.54764 1.23384 1.94423 C155 C 1.59267 1.24111 1.91570 C157 C 1.59766 1.20177 1.88977 C159 C 1.55868 1.15649 1.89035 C161 C 1.51345 1.14945 1.91601 C163 C 1.43345 1.09391 1.88853 N31 N 1.47520 1.10334 1.91864 H101 H 1.34172 1.06998 1.91768 N33 N 1.38408 1.71204 1.91990 N35 N 1.62501 1.32544 1.91396 C165 C 1.63348 1.28937 1.91469 H103 H 1.54367 1.26435 1.96706 H105 H 1.07180 1.48593 1.86516 H107 H 1.27988 1.54277 1.87475 H109 H 1.20047 1.47024 1.87417 H111 H 1.13659 1.55464 1.96697 H113 H 1.21578 1.62659 1.96427 C167 C 1.05253 1.37337 1.91567 C173 C 1.07952 1.45778 1.89582 C175 C 1.24825 1.54513 1.89425 C177 C 1.20411 1.50474 1.89465 C179 C 1.16324 1.50753 1.91812 C181 C 1.16772 1.55180 1.94412 C183 C 1.21211 1.59205 1.94366 C185 C 1.25284 1.58938 1.91877 C187 C 1.29948 1.63244 1.91919 N37 N 1.12091 1.46484 1.92094 H115 H 1.09021 1.38470 1.91919 C189 C 1.97083 1.31562 1.90968 C191 C 1.96132 1.35281 1.89599 N39 N 1.99551 1.39843 1.89361 H117 H 1.82118 1.28925 1.96935 H119 H 1.79415 1.42255 1.86752 H121 H 1.87583 1.43576 1.86509 H123 H 1.88557 1.30547 1.85289 C193 C 1.81558 1.31852 1.94336 C195 C 1.77009 1.31132 1.94330 C197 C 1.76172 1.34840 1.91534 C199 C 1.80037 1.39332 1.88871 C201 C 1.84596 1.40083 1.88814 C203 C 1.85416 1.36334 1.91332 C205 C 1.91214 1.34208 1.88577 N41 N 1.90080 1.37308 1.91465 H125 H 1.94134 1.27909 1.91405 N43 N 1.30100 1.67408 1.91996 N45 N 1.67717 1.29553 1.91507 C207 C 1.71331 1.34026 1.91483 H127 H 1.74016 1.27637 1.96659 C209 C 1.03195 1.29007 1.94297 C211 C 1.00640 1.24382 1.89524 C213 C 1.07411 1.30364 2.01100 C215 C 1.02262 1.21184 1.91269 H129 H 0.97361 1.23226 1.84115 C217 C 1.09109 1.27293 2.02818 H131 H 1.09414 1.33905 2.05274 C219 C 1.06557 1.22710 1.97822 C221 C 0.99818 1.16387 1.86377 H133 H 1.12401 1.28402 2.08042 O2 O 1.08507 1.19915 1.99525 H135 H 0.96632 1.15214 1.80546 C223 C 1.01429 1.13409 1.88741 C225 C 1.05751 1.14727 1.96590 H137 H 0.99561 1.09823 1.84758 C227 C 1.05039 1.12148 2.10017 N47 N 1.09141 1.13796 1.90020 C229 C 1.09836 1.12510 2.11348 C231 C 1.03933 1.14607 2.20776 C233 C 1.01156 1.06924 2.09366 C235 C 1.10868 1.15810 1.77528 C237 C 1.12013 1.13412 1.99240 C239 C 1.12127 1.12141 2.22092 H139 H 1.00785 1.14837 2.18555 H141 H 1.03257 1.12666 2.29799 H143 H 1.06857 1.18194 2.22482 H145 H 1.01224 1.05034 2.17938 H147 H 0.97642 1.06539 2.08791 H149 H 1.01580 1.05117 2.01090 H151 H 1.13764 1.19536 1.77946 H153 H 1.12181 1.13778 1.72327 H155 H 1.07988 1.15686 1.71840 C241 C 1.16440 1.13814 1.97692 H157 H 1.10501 1.11526 2.31592 C243 C 1.16615 1.12661 2.20657 H159 H 1.18163 1.14514 1.88331 C245 C 1.18699 1.13443 2.08604 H161 H 1.18493 1.12440 2.29078 H163 H 1.22211 1.13835 2.07674 H165 H 1.27350 1.98826 1.95013 H167 H 1.71998 1.72639 1.95455 C147 C 1.34714 2.03956 1.91759 N29 N 1.40039 2.00949 1.90061 C169 C 2.01762 1.32575 1.92241 C171 C 2.04046 1.40859 1.90236 H58 H 0.07420 0.47875 0.19967 H60 H 0.28201 0.54144 0.20640 H62 H 0.20447 0.46678 0.20621 H64 H 0.13499 0.54587 0.29996 H66 H 0.21220 0.61984 0.29631 C84 C 0.04849 0.36391 0.25895 C86 C 0.01004 0.31833 0.25896 C88 C 0.96524 0.31212 0.24120 C90 C 0.96015 0.35212 0.22793 N18 N 0.99749 0.39607 0.22691 C92 C 0.04094 0.40218 0.24028 C94 C 0.08146 0.45042 0.23170 C96 C 0.24949 0.54213 0.22614 C98 C 0.20635 0.50050 0.22674 C100 C 0.16439 0.50110 0.25105 C102 C 0.16692 0.54457 0.27651 C104 C 0.21032 0.58609 0.27564 C106 C 0.25217 0.58555 0.25083 C108 C 0.29828 0.62938 0.25199 N20 N 0.68089 0.30331 0.24725 N22 N 0.12289 0.45743 0.25600 N24 N 0.29942 0.67091 0.25318 H68 H 0.82285 0.29514 0.30099 H70 H 0.74237 0.28364 0.29714 H72 H 0.79878 0.43029 0.19915 H74 H 0.87991 0.44209 0.19747 H76 H 0.88465 0.31007 0.17861 C110 C 0.71687 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0.17861 C110 C 0.71687 1.34808 0.24663 C112 C 0.81788 1.32478 0.27480 C114 C 0.77273 1.31837 0.27426 C116 C 0.76518 1.35599 0.24653 C118 C 0.80432 1.40063 0.22039 C120 C 0.84966 1.40737 0.22030 C122 C 0.85698 1.36934 0.24544 C124 C 0.91252 1.34552 0.21539 N26 N 0.90318 1.37764 0.24780 H78 H 0.08448 1.37044 0.27209 H80 H 0.93415 1.27652 0.24034 H82 H 0.53410 1.59966 0.20702 H84 H 0.46556 1.73955 0.21012 H86 H 0.54162 1.73977 0.21376 H88 H 0.46587 1.59039 0.30435 H90 H 0.39057 1.59062 0.29729 C126 C 0.64791 1.69105 0.27071 C128 C 0.69373 1.69911 0.27258 C130 C 0.61025 1.64481 0.24984 C132 C 0.56164 1.63563 0.24006 C134 C 0.46600 1.70689 0.22997 C136 C 0.50835 1.70711 0.23279 C138 C 0.50904 1.66521 0.25746 C140 C 0.46615 1.62314 0.28068 C142 C 0.42386 1.62330 0.27789 C144 C 0.42316 1.66505 0.25292 C146 C 0.37898 1.66637 0.25292 N28 N 0.55335 1.66915 0.26453 H92 H 0.64080 1.72007 0.28440 C148 C 0.70082 1.66113 0.25355 C150 C 0.66139 1.61567 0.23646 N30 N 0.61721 1.60811 0.23462 H94 H 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1.71011 0.25449 N38 N 0.35132 1.88744 0.26219 H116 H 0.30230 1.91956 0.26411 C192 C 0.40176 1.04767 0.23504 H118 H 0.47825 1.18729 0.30495 H120 H 0.63930 1.21656 0.20202 H122 H 0.57126 1.13429 0.20192 H124 H 0.43099 1.12302 0.18790 C194 C 0.51327 1.19339 0.27856 C196 C 0.55129 1.23919 0.27705 C198 C 0.59694 1.24813 0.24899 C200 C 0.60367 1.20982 0.22343 C202 C 0.56584 1.16391 0.22414 C204 C 0.51997 1.15512 0.24978 C206 C 0.44079 1.09663 0.22301 N42 N 0.48317 1.10827 0.25292 H126 H 0.34943 1.06919 0.25282 N44 N 0.38253 1.70900 0.25434 N46 N 0.62825 1.33262 0.24792 C208 C 0.63706 1.29677 0.24790 H128 H 0.54591 1.26887 0.29951 C210 C 0.26833 1.98049 0.28298 C212 C 0.25072 2.00901 0.23796 C214 C 0.23718 1.93832 0.34762 C216 C 0.20332 1.99615 0.25618 H130 H 0.27382 2.04168 0.18556 C218 C 0.19016 1.92468 0.36583 H132 H 0.24997 1.91571 0.38636 C220 C 0.17310 1.95350 0.32006 C222 C 0.18305 2.02376 0.20911 H134 H 0.16636 1.89187 0.41605 O3 O 0.12620 1.93748 0.33921 H136 H 0.20500 2.05528 0.15120 C224 C 0.13785 2.01078 0.23339 C226 C 0.10558 1.96845 0.31201 H138 H 0.12294 2.03151 0.19395 C228 C 0.08915 1.97766 0.44725 N48 N 0.06096 1.93714 0.24729 C230 C 0.04217 1.93185 0.46097 C232 C 0.12438 1.98548 0.55389 C234 C 0.08086 2.01982 0.44207 C236 C 0.06136 1.91917 0.12143 C238 C 0.02762 1.91014 0.33996 C240 C 0.01499 1.91035 0.56871 H140 H 0.15958 2.01514 0.53159 H142 H 0.11341 1.99361 0.64488 H144 H 0.12768 1.95423 0.56944 H146 H 0.06322 2.02158 0.52918 H148 H 0.11422 2.05336 0.43430 H150 H 0.05854 2.01740 0.36089 H152 H 0.06641 1.88818 0.12359 H154 H 0.02808 1.90876 0.07056 H156 H 0.09015 1.94683 0.06451 C242 C -0.01471 1.86739 0.32477 H158 H 0.02607 1.92656 0.66371 C244 C -0.02667 1.86675 0.55470 H160 H -0.02627 1.85027 0.23119 C246 C -0.04128 1.84597 0.43436 H162 H -0.04786 1.84864 0.63923 H164 H -0.07399 1.81182 0.42556 H166 H 0.72378 1.73475 0.28835 H168 H 0.01491 1.28781 0.27180 C86 C 1.01004 1.31833 0.25896 C88 C -0.03476 1.31212 0.24120 N18 N -0.00251 1.39607 0.22691 C92 C 1.04094 1.40218 0.24028 C190 C 0.35541 2.03912 0.24934 N40 N 0.41205 2.01284 0.23292 H58 H 1.07420 0.47875 0.19967 H60 H 1.28201 0.54144 0.20640 H62 H 1.20447 0.46678 0.20621 H64 H 1.13499 0.54587 0.29996 H66 H 1.21220 0.61984 0.29631 C84 C 1.04849 0.36391 0.25895 C88 C 1.96524 0.31212 0.24120 C90 C 1.96015 0.35212 0.22793 N18 N 1.99749 0.39607 0.22691 C94 C 1.08146 0.45042 0.23170 C96 C 1.24949 0.54213 0.22614 C98 C 1.20635 0.50050 0.22674 C100 C 1.16439 0.50110 0.25105 C102 C 1.16692 0.54457 0.27651 C104 C 1.21032 0.58609 0.27564 C106 C 1.25217 0.58555 0.25083 C108 C 1.29828 0.62938 0.25199 N20 N 1.68089 0.30331 0.24725 N22 N 1.12289 0.45743 0.25600 N24 N 1.29942 0.67091 0.25318 H68 H 1.82285 0.29514 0.30099 H70 H 1.74237 0.28364 0.29714 H72 H 1.79878 0.43029 0.19915 H74 H 1.87991 0.44209 0.19747 H76 H 1.88465 0.31007 0.17861 C110 C 1.71687 0.34808 0.24663 C112 C 1.81788 0.32478 0.27480 C114 C 1.77273 0.31837 0.27426 C116 C 1.76518 0.35599 0.24653 C118 C 1.80432 0.40063 0.22039 C120 C 1.84966 0.40737 0.22030 C122 C 1.85698 0.36934 0.24544 C124 C 1.91252 0.34552 0.21539 N26 N 1.90318 0.37764 0.24780 H78 H 1.08448 0.37044 0.27209 H80 H 1.93415 0.27652 0.24034 H82 H 1.53410 0.59966 0.20702 H84 H 1.46556 0.73955 0.21012 H86 H 1.54162 0.73977 0.21376 H88 H 1.46587 0.59039 0.30435 H90 H 1.39057 0.59062 0.29729 C126 C 1.64791 0.69105 0.27071 C128 C 1.69373 0.69911 0.27258 C130 C 1.61025 0.64481 0.24984 C132 C 1.56164 0.63563 0.24006 C134 C 1.46600 0.70689 0.22997 C136 C 1.50835 0.70711 0.23279 C138 C 1.50904 0.66521 0.25746 C140 C 1.46615 0.62314 0.28068 C142 C 1.42386 0.62330 0.27789 C144 C 1.42316 0.66505 0.25292 C146 C 1.37898 0.66637 0.25292 N28 N 1.55335 0.66915 0.26453 H92 H 1.64080 0.72007 0.28440 C148 C 1.70082 0.66113 0.25355 C150 C 1.66139 0.61567 0.23646 N30 N 1.61721 0.60811 0.23462 H94 H 1.71863 0.53563 0.30568 H96 H 1.58365 0.37589 0.20049 H98 H 1.57182 0.44518 0.19997 H100 H 1.70395 0.58316 0.18443 C152 C 1.68905 0.50092 0.27861 C154 C 1.69549 0.46221 0.27741 C156 C 1.65790 0.41692 0.24861 C158 C 1.61327 0.41122 0.22236 C160 C 1.60652 0.44978 0.22289 C162 C 1.64456 0.49529 0.24876 C164 C 1.66843 0.57502 0.22125 N32 N 1.63632 0.53317 0.25189 H102 H 1.73663 0.66640 0.25400 N34 N 1.33741 0.62585 0.25189 N36 N 1.71052 0.38546 0.24672 C166 C 1.66576 0.37650 0.24753 H104 H 1.73018 0.46670 0.30056 H106 H 1.42142 0.93635 0.20401 H108 H 1.27143 0.72842 0.21192 H110 H 1.27731 0.80722 0.21394 H112 H 1.42606 0.87301 0.30763 H114 H 1.41981 0.79444 0.30237 C168 C 1.32936 0.95705 0.25857 C170 C 1.31784 0.99272 0.26356 C172 C 1.37640 0.96821 0.24354 C174 C 1.38573 0.92880 0.23625 C176 C 1.30530 0.76036 0.23220 C178 C 1.30849 0.80414 0.23408 C180 C 1.35202 0.84538 0.25834 C182 C 1.39220 0.84160 0.28396 C184 C 1.38862 0.79755 0.28211 C186 C 1.34538 0.75648 0.25608 C188 C 1.34219 0.71011 0.25449 N38 N 1.35132 0.88744 0.26219 H116 H 1.30230 0.91956 0.26411 C190 C 1.35541 0.03912 0.24934 C192 C 1.40176 0.04767 0.23504 N40 N 1.41205 0.01284 0.23292 H118 H 1.47825 0.18729 0.30495 H120 H 1.63930 0.21656 0.20202 H122 H 1.57126 0.13429 0.20192 H124 H 1.43099 0.12302 0.18790 C194 C 1.51327 0.19339 0.27856 C196 C 1.55129 0.23919 0.27705 C198 C 1.59694 0.24813 0.24899 C200 C 1.60367 0.20982 0.22343 C202 C 1.56584 0.16391 0.22414 C204 C 1.51997 0.15512 0.24978 C206 C 1.44079 0.09663 0.22301 N42 N 1.48317 0.10827 0.25292 H126 H 1.34943 0.06919 0.25282 N44 N 1.38253 0.70900 0.25434 N46 N 1.62825 0.33262 0.24792 C208 C 1.63706 0.29677 0.24790 H128 H 1.54591 0.26887 0.29951 C210 C 1.26833 0.98049 0.28298 C212 C 1.25072 1.00901 0.23796 C214 C 1.23718 0.93832 0.34762 C216 C 1.20332 0.99615 0.25618 H130 H 1.27382 1.04168 0.18556 C218 C 1.19016 0.92468 0.36583 H132 H 1.24997 0.91571 0.38636 C220 C 1.17310 0.95350 0.32006 C222 C 1.18305 1.02376 0.20911 H134 H 1.16636 0.89187 0.41605 O3 O 1.12620 0.93748 0.33921 H136 H 1.20500 1.05528 0.15120 C224 C 1.13785 1.01078 0.23339 C226 C 1.10558 0.96845 0.31201 H138 H 1.12294 1.03151 0.19395 C228 C 1.08915 0.97766 0.44725 N48 N 1.06096 0.93714 0.24729 C230 C 1.04217 0.93185 0.46097 C232 C 1.12438 0.98548 0.55389 C234 C 1.08086 1.01982 0.44207 C236 C 1.06136 0.91917 0.12143 C238 C 1.02762 0.91014 0.33996 C240 C 1.01499 0.91035 0.56871 H140 H 1.15958 1.01514 0.53159 H142 H 1.11341 0.99361 0.64488 H144 H 1.12768 0.95423 0.56944 H146 H 1.06322 1.02158 0.52918 H148 H 1.11422 1.05336 0.43430 H150 H 1.05854 1.01740 0.36089 H152 H 1.06641 0.88818 0.12359 H154 H 1.02808 0.90876 0.07056 H156 H 1.09015 0.94683 0.06451 C242 C 0.98529 0.86739 0.32477 H158 H 1.02607 0.92656 0.66371 C244 C 0.97333 0.86675 0.55470 H160 H 0.97373 0.85027 0.23119 C246 C 0.95872 0.84597 0.43436 H162 H 0.95214 0.84864 0.63923 H164 H 0.92601 0.81182 0.42556 H166 H 1.72378 0.73475 0.28835 H168 H 1.01491 0.28781 0.27180 C86 C 2.01004 0.31833 0.25896 C92 C 2.04094 0.40218 0.24028 C170 C 1.31784 -0.00728 0.26356 C172 C 1.37640 -0.03179 0.24354 C190 C 1.35541 1.03912 0.24934 N40 N 1.41205 1.01284 0.23292 H58 H 1.07420 1.47875 0.19967 H60 H 1.28201 1.54144 0.20640 H62 H 1.20447 1.46678 0.20621 H64 H 1.13499 1.54587 0.29996 H66 H 1.21220 1.61984 0.29631 C84 C 1.04849 1.36391 0.25895 C88 C 1.96524 1.31212 0.24120 C90 C 1.96015 1.35212 0.22793 N18 N 1.99749 1.39607 0.22691 C94 C 1.08146 1.45042 0.23170 C96 C 1.24949 1.54213 0.22614 C98 C 1.20635 1.50050 0.22674 C100 C 1.16439 1.50110 0.25105 C102 C 1.16692 1.54457 0.27651 C104 C 1.21032 1.58609 0.27564 C106 C 1.25217 1.58555 0.25083 C108 C 1.29828 1.62938 0.25199 N20 N 1.68089 1.30331 0.24725 N22 N 1.12289 1.45743 0.25600 N24 N 1.29942 1.67091 0.25318 H68 H 1.82285 1.29514 0.30099 H70 H 1.74237 1.28364 0.29714 H72 H 1.79878 1.43029 0.19915 H74 H 1.87991 1.44209 0.19747 H76 H 1.88465 1.31007 0.17861 C110 C 1.71687 1.34808 0.24663 C112 C 1.81788 1.32478 0.27480 C114 C 1.77273 1.31837 0.27426 C116 C 1.76518 1.35599 0.24653 C118 C 1.80432 1.40063 0.22039 C120 C 1.84966 1.40737 0.22030 C122 C 1.85698 1.36934 0.24544 C124 C 1.91252 1.34552 0.21539 N26 N 1.90318 1.37764 0.24780 H78 H 1.08448 1.37044 0.27209 H80 H 1.93415 1.27652 0.24034 H82 H 1.53410 1.59966 0.20702 H84 H 1.46556 1.73955 0.21012 H86 H 1.54162 1.73977 0.21376 H88 H 1.46587 1.59039 0.30435 H90 H 1.39057 1.59062 0.29729 C126 C 1.64791 1.69105 0.27071 C128 C 1.69373 1.69911 0.27258 C130 C 1.61025 1.64481 0.24984 C132 C 1.56164 1.63563 0.24006 C134 C 1.46600 1.70689 0.22997 C136 C 1.50835 1.70711 0.23279 C138 C 1.50904 1.66521 0.25746 C140 C 1.46615 1.62314 0.28068 C142 C 1.42386 1.62330 0.27789 C144 C 1.42316 1.66505 0.25292 C146 C 1.37898 1.66637 0.25292 N28 N 1.55335 1.66915 0.26453 H92 H 1.64080 1.72007 0.28440 C148 C 1.70082 1.66113 0.25355 C150 C 1.66139 1.61567 0.23646 N30 N 1.61721 1.60811 0.23462 H94 H 1.71863 1.53563 0.30568 H96 H 1.58365 1.37589 0.20049 H98 H 1.57182 1.44518 0.19997 H100 H 1.70395 1.58316 0.18443 C152 C 1.68905 1.50092 0.27861 C154 C 1.69549 1.46221 0.27741 C156 C 1.65790 1.41692 0.24861 C158 C 1.61327 1.41122 0.22236 C160 C 1.60652 1.44978 0.22289 C162 C 1.64456 1.49529 0.24876 C164 C 1.66843 1.57502 0.22125 N32 N 1.63632 1.53317 0.25189 H102 H 1.73663 1.66640 0.25400 N34 N 1.33741 1.62585 0.25189 N36 N 1.71052 1.38546 0.24672 C166 C 1.66576 1.37650 0.24753 H104 H 1.73018 1.46670 0.30056 H106 H 1.42142 1.93635 0.20401 H108 H 1.27143 1.72842 0.21192 H110 H 1.27731 1.80722 0.21394 H112 H 1.42606 1.87301 0.30763 H114 H 1.41981 1.79444 0.30237 C168 C 1.32936 1.95705 0.25857 C170 C 1.31784 1.99272 0.26356 C172 C 1.37640 1.96821 0.24354 C174 C 1.38573 1.92880 0.23625 C176 C 1.30530 1.76036 0.23220 C178 C 1.30849 1.80414 0.23408 C180 C 1.35202 1.84538 0.25834 C182 C 1.39220 1.84160 0.28396 C184 C 1.38862 1.79755 0.28211 C186 C 1.34538 1.75648 0.25608 C188 C 1.34219 1.71011 0.25449 N38 N 1.35132 1.88744 0.26219 H116 H 1.30230 1.91956 0.26411 C192 C 1.40176 1.04767 0.23504 H118 H 1.47825 1.18729 0.30495 H120 H 1.63930 1.21656 0.20202 H122 H 1.57126 1.13429 0.20192 H124 H 1.43099 1.12302 0.18790 C194 C 1.51327 1.19339 0.27856 C196 C 1.55129 1.23919 0.27705 C198 C 1.59694 1.24813 0.24899 C200 C 1.60367 1.20982 0.22343 C202 C 1.56584 1.16391 0.22414 C204 C 1.51997 1.15512 0.24978 C206 C 1.44079 1.09663 0.22301 N42 N 1.48317 1.10827 0.25292 H126 H 1.34943 1.06919 0.25282 N44 N 1.38253 1.70900 0.25434 N46 N 1.62825 1.33262 0.24792 C208 C 1.63706 1.29677 0.24790 H128 H 1.54591 1.26887 0.29951 C210 C 1.26833 1.98049 0.28298 C212 C 1.25072 2.00901 0.23796 C214 C 1.23718 1.93832 0.34762 C216 C 1.20332 1.99615 0.25618 H130 H 1.27382 2.04168 0.18556 C218 C 1.19016 1.92468 0.36583 H132 H 1.24997 1.91571 0.38636 C220 C 1.17310 1.95350 0.32006 C222 C 1.18305 2.02376 0.20911 H134 H 1.16636 1.89187 0.41605 O3 O 1.12620 1.93748 0.33921 H136 H 1.20500 2.05528 0.15120 C224 C 1.13785 2.01078 0.23339 C226 C 1.10558 1.96845 0.31201 H138 H 1.12294 2.03151 0.19395 C228 C 1.08915 1.97766 0.44725 N48 N 1.06096 1.93714 0.24729 C230 C 1.04217 1.93185 0.46097 C232 C 1.12438 1.98548 0.55389 C234 C 1.08086 2.01982 0.44207 C236 C 1.06136 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1.31212 1.24120 C90 C 0.96015 1.35212 1.22793 N18 N 0.99749 1.39607 1.22691 C92 C 0.04094 1.40218 1.24028 C94 C 0.08146 1.45042 1.23170 C96 C 0.24949 1.54213 1.22614 C98 C 0.20635 1.50050 1.22674 C100 C 0.16439 1.50110 1.25105 C102 C 0.16692 1.54457 1.27651 C104 C 0.21032 1.58609 1.27564 C106 C 0.25217 1.58555 1.25083 C108 C 0.29828 1.62938 1.25199 N20 N 0.68089 1.30331 1.24725 N22 N 0.12289 1.45743 1.25600 N24 N 0.29942 1.67091 1.25318 H68 H 0.82285 1.29514 1.30099 H70 H 0.74237 1.28364 1.29714 H72 H 0.79878 1.43029 1.19915 H74 H 0.87991 1.44209 1.19747 H76 H 0.88465 1.31007 1.17861 C110 C 0.71687 1.34808 1.24663 C112 C 0.81788 1.32478 1.27480 C114 C 0.77273 1.31837 1.27426 C116 C 0.76518 1.35599 1.24653 C118 C 0.80432 1.40063 1.22039 C120 C 0.84966 1.40737 1.22030 C122 C 0.85698 1.36934 1.24544 C124 C 0.91252 1.34552 1.21539 N26 N 0.90318 1.37764 1.24780 H78 H 0.08448 1.37044 1.27209 H80 H 0.93415 1.27652 1.24034 H82 H 0.53410 1.59966 1.20702 H84 H 0.46556 1.73955 1.21012 H86 H 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0.70900 1.25434 N46 N 1.62825 0.33262 1.24792 C208 C 1.63706 0.29677 1.24790 H128 H 1.54591 0.26887 1.29951 C210 C 1.26833 0.98049 1.28298 C212 C 1.25072 1.00901 1.23796 C214 C 1.23718 0.93832 1.34762 C216 C 1.20332 0.99615 1.25618 H130 H 1.27382 1.04168 1.18556 C218 C 1.19016 0.92468 1.36583 H132 H 1.24997 0.91571 1.38636 C220 C 1.17310 0.95350 1.32006 C222 C 1.18305 1.02376 1.20911 H134 H 1.16636 0.89187 1.41605 O3 O 1.12620 0.93748 1.33921 H136 H 1.20500 1.05528 1.15120 C224 C 1.13785 1.01078 1.23339 C226 C 1.10558 0.96845 1.31201 H138 H 1.12294 1.03151 1.19395 C228 C 1.08915 0.97766 1.44725 N48 N 1.06096 0.93714 1.24729 C230 C 1.04217 0.93185 1.46097 C232 C 1.12438 0.98548 1.55389 C234 C 1.08086 1.01982 1.44207 C236 C 1.06136 0.91917 1.12143 C238 C 1.02762 0.91014 1.33996 C240 C 1.01499 0.91035 1.56871 H140 H 1.15958 1.01514 1.53159 H142 H 1.11341 0.99361 1.64488 H144 H 1.12768 0.95423 1.56944 H146 H 1.06322 1.02158 1.52918 H148 H 1.11422 1.05336 1.43430 H150 H 1.05854 1.01740 1.36089 H152 H 1.06641 0.88818 1.12359 H154 H 1.02808 0.90876 1.07056 H156 H 1.09015 0.94683 1.06451 C242 C 0.98529 0.86739 1.32477 H158 H 1.02607 0.92656 1.66371 C244 C 0.97333 0.86675 1.55470 H160 H 0.97373 0.85027 1.23119 C246 C 0.95872 0.84597 1.43436 H162 H 0.95214 0.84864 1.63923 H164 H 0.92601 0.81182 1.42556 H166 H 1.72378 0.73475 1.28835 H168 H 1.01491 0.28781 1.27180 C86 C 2.01004 0.31833 1.25896 C92 C 2.04094 0.40218 1.24028 C170 C 1.31784 -0.00728 1.26356 C172 C 1.37640 -0.03179 1.24354 C190 C 1.35541 1.03912 1.24934 N40 N 1.41205 1.01284 1.23292 H58 H 1.07420 1.47875 1.19967 H60 H 1.28201 1.54144 1.20640 H62 H 1.20447 1.46678 1.20621 H64 H 1.13499 1.54587 1.29996 H66 H 1.21220 1.61984 1.29631 C84 C 1.04849 1.36391 1.25895 C88 C 1.96524 1.31212 1.24120 C90 C 1.96015 1.35212 1.22793 N18 N 1.99749 1.39607 1.22691 C94 C 1.08146 1.45042 1.23170 C96 C 1.24949 1.54213 1.22614 C98 C 1.20635 1.50050 1.22674 C100 C 1.16439 1.50110 1.25105 C102 C 1.16692 1.54457 1.27651 C104 C 1.21032 1.58609 1.27564 C106 C 1.25217 1.58555 1.25083 C108 C 1.29828 1.62938 1.25199 N20 N 1.68089 1.30331 1.24725 N22 N 1.12289 1.45743 1.25600 N24 N 1.29942 1.67091 1.25318 H68 H 1.82285 1.29514 1.30099 H70 H 1.74237 1.28364 1.29714 H72 H 1.79878 1.43029 1.19915 H74 H 1.87991 1.44209 1.19747 H76 H 1.88465 1.31007 1.17861 C110 C 1.71687 1.34808 1.24663 C112 C 1.81788 1.32478 1.27480 C114 C 1.77273 1.31837 1.27426 C116 C 1.76518 1.35599 1.24653 C118 C 1.80432 1.40063 1.22039 C120 C 1.84966 1.40737 1.22030 C122 C 1.85698 1.36934 1.24544 C124 C 1.91252 1.34552 1.21539 N26 N 1.90318 1.37764 1.24780 H78 H 1.08448 1.37044 1.27209 H80 H 1.93415 1.27652 1.24034 H82 H 1.53410 1.59966 1.20702 H84 H 1.46556 1.73955 1.21012 H86 H 1.54162 1.73977 1.21376 H88 H 1.46587 1.59039 1.30435 H90 H 1.39057 1.59062 1.29729 C126 C 1.64791 1.69105 1.27071 C128 C 1.69373 1.69911 1.27258 C130 C 1.61025 1.64481 1.24984 C132 C 1.56164 1.63563 1.24006 C134 C 1.46600 1.70689 1.22997 C136 C 1.50835 1.70711 1.23279 C138 C 1.50904 1.66521 1.25746 C140 C 1.46615 1.62314 1.28068 C142 C 1.42386 1.62330 1.27789 C144 C 1.42316 1.66505 1.25292 C146 C 1.37898 1.66637 1.25292 N28 N 1.55335 1.66915 1.26453 H92 H 1.64080 1.72007 1.28440 C148 C 1.70082 1.66113 1.25355 C150 C 1.66139 1.61567 1.23646 N30 N 1.61721 1.60811 1.23462 H94 H 1.71863 1.53563 1.30568 H96 H 1.58365 1.37589 1.20049 H98 H 1.57182 1.44518 1.19997 H100 H 1.70395 1.58316 1.18443 C152 C 1.68905 1.50092 1.27861 C154 C 1.69549 1.46221 1.27741 C156 C 1.65790 1.41692 1.24861 C158 C 1.61327 1.41122 1.22236 C160 C 1.60652 1.44978 1.22289 C162 C 1.64456 1.49529 1.24876 C164 C 1.66843 1.57502 1.22125 N32 N 1.63632 1.53317 1.25189 H102 H 1.73663 1.66640 1.25400 N34 N 1.33741 1.62585 1.25189 N36 N 1.71052 1.38546 1.24672 C166 C 1.66576 1.37650 1.24753 H104 H 1.73018 1.46670 1.30056 H106 H 1.42142 1.93635 1.20401 H108 H 1.27143 1.72842 1.21192 H110 H 1.27731 1.80722 1.21394 H112 H 1.42606 1.87301 1.30763 H114 H 1.41981 1.79444 1.30237 C168 C 1.32936 1.95705 1.25857 C170 C 1.31784 1.99272 1.26356 C172 C 1.37640 1.96821 1.24354 C174 C 1.38573 1.92880 1.23625 C176 C 1.30530 1.76036 1.23220 C178 C 1.30849 1.80414 1.23408 C180 C 1.35202 1.84538 1.25834 C182 C 1.39220 1.84160 1.28396 C184 C 1.38862 1.79755 1.28211 C186 C 1.34538 1.75648 1.25608 C188 C 1.34219 1.71011 1.25449 N38 N 1.35132 1.88744 1.26219 H116 H 1.30230 1.91956 1.26411 C192 C 1.40176 1.04767 1.23504 H118 H 1.47825 1.18729 1.30495 H120 H 1.63930 1.21656 1.20202 H122 H 1.57126 1.13429 1.20192 H124 H 1.43099 1.12302 1.18790 C194 C 1.51327 1.19339 1.27856 C196 C 1.55129 1.23919 1.27705 C198 C 1.59694 1.24813 1.24899 C200 C 1.60367 1.20982 1.22343 C202 C 1.56584 1.16391 1.22414 C204 C 1.51997 1.15512 1.24978 C206 C 1.44079 1.09663 1.22301 N42 N 1.48317 1.10827 1.25292 H126 H 1.34943 1.06919 1.25282 N44 N 1.38253 1.70900 1.25434 N46 N 1.62825 1.33262 1.24792 C208 C 1.63706 1.29677 1.24790 H128 H 1.54591 1.26887 1.29951 C210 C 1.26833 1.98049 1.28298 C212 C 1.25072 2.00901 1.23796 C214 C 1.23718 1.93832 1.34762 C216 C 1.20332 1.99615 1.25618 H130 H 1.27382 2.04168 1.18556 C218 C 1.19016 1.92468 1.36583 H132 H 1.24997 1.91571 1.38636 C220 C 1.17310 1.95350 1.32006 C222 C 1.18305 2.02376 1.20911 H134 H 1.16636 1.89187 1.41605 O3 O 1.12620 1.93748 1.33921 H136 H 1.20500 2.05528 1.15120 C224 C 1.13785 2.01078 1.23339 C226 C 1.10558 1.96845 1.31201 H138 H 1.12294 2.03151 1.19395 C228 C 1.08915 1.97766 1.44725 N48 N 1.06096 1.93714 1.24729 C230 C 1.04217 1.93185 1.46097 C232 C 1.12438 1.98548 1.55389 C234 C 1.08086 2.01982 1.44207 C236 C 1.06136 1.91917 1.12143 C238 C 1.02762 1.91014 1.33996 C240 C 1.01499 1.91035 1.56871 H140 H 1.15958 2.01514 1.53159 H142 H 1.11341 1.99361 1.64488 H144 H 1.12768 1.95423 1.56944 H146 H 1.06322 2.02158 1.52918 H148 H 1.11422 2.05336 1.43430 H150 H 1.05854 2.01740 1.36089 H152 H 1.06641 1.88818 1.12359 H154 H 1.02808 1.90876 1.07056 H156 H 1.09015 1.94683 1.06451 C242 C 0.98529 1.86739 1.32477 H158 H 1.02607 1.92656 1.66371 C244 C 0.97333 1.86675 1.55470 H160 H 0.97373 1.85027 1.23119 C246 C 0.95872 1.84597 1.43436 H162 H 0.95214 1.84864 1.63923 H164 H 0.92601 1.81182 1.42556 H166 H 1.72378 1.73475 1.28835 H168 H 1.01491 1.28781 1.27180 C86 C 2.01004 1.31833 1.25896 C92 C 2.04094 1.40218 1.24028 C190 C 1.35541 2.03912 1.24934 N40 N 1.41205 2.01284 1.23292 #END