Macrocycles of higher ortho-phenylenes: Assembly and folding Supporting Information Zacharias J. Kinney, Viraj C. Kirinda, and C. Scott Hartley* Department of Chemistry & Biochemistry, Miami University, Oxford, OH 45056, USA Cartesian Coordinates for Computational Geometries Table of Contents ================= To locate a set of coordinates, please search for the following headings. - oP6M' AAA - oP6M' AAB - oP6M' ABB - oP6M' BAB - oP6M' BBB - oP10M' AAAAAAA - oP10M' AAAAAAB - oP10M' AAAABBB - oP10M' AAABBBA - oP10M' BAAAAAB - oP10M' BAAABBB - oP6DPB3+3' Heterochiral (AAA)3 - oP6DPB3+3' Homochiral (AAA)3 - oP6DPB3+3' Homochiral (AAA)2(AAB) - oP10DPB2+2' Homochiral-antiparallel-(AAAABBB)2 - oP10DPB2+2' Homochiral-(AAAABBB)(BAAAAAB) - oP10DPB2+2' Homochiral-(BAAAAAB)2 - oP6 AAA - oP6 AAB - oP6 ABB - oP6 BAB - oP6 BBB - oP10 AAAAAAA - oP10 AAAAAAB - oP10 AAAAABB - oP10 AAAABBA - oP10 AAAABBB - oP10 AAABBAA - oP10 AAABBAB - oP10 AAABBBA - oP10 AAABBBB - oP10 AABBAAB - oP10 AABBABB - oP10 AABBBAA - oP10 AABBBAB - oP10 AABBBBA - oP10 AABBBBB - oP10 ABBAAAB - oP10 ABBAABB - oP10 ABBABBA - oP10 ABBABBB - oP10 ABBBAAB - oP10 ABBBABB - oP10 ABBBBAB - oP10 ABBBBBA - oP10 ABBBBBB - oP10 BAAAAAB - oP10 BAAAABB - oP10 BAAABBB - oP10 BAABBAB - oP10 BAABBBB - oP10 BABBABB - oP10 BABBBAB - oP10 BABBBBB - oP10 BBAAABB - oP10 BBAABBB - oP10 BBABBBB - oP10 BBBABBB - oP10 BBBBBBB oP6M' AAA C 2.78093 -0.48656 -1.20213 C 3.01440 -1.88141 -1.18371 C 3.57346 -2.51136 -0.07011 C 3.92984 -1.75669 1.07466 C 3.76874 -0.35063 1.03184 C 3.18934 0.27042 -0.07910 H 2.71176 -2.48277 -2.04860 H 3.73133 -3.59612 -0.07659 H 4.07620 0.23574 1.90597 C 1.08747 1.08560 -2.30267 C 0.54650 1.62883 -3.49058 C 1.01009 1.23817 -4.75672 C 2.05060 0.29047 -4.84703 C 2.59306 -0.24172 -3.67704 C 2.14053 0.13443 -2.38753 H -0.28712 2.32805 -3.40065 H 2.41327 -0.01236 -5.83521 H 3.41658 -0.96193 -3.75197 C -0.00066 0.74496 0.01598 C -0.51137 1.37474 1.17931 C -0.56820 2.75755 1.32856 C -0.11253 3.58298 0.28188 C 0.42562 2.98869 -0.87201 C 0.49692 1.57979 -1.01961 H -0.91647 0.74407 1.97684 H -0.98526 3.21339 2.23284 H 0.82452 3.60880 -1.67921 C -0.49692 -1.57979 -1.01961 C -0.42562 -2.98869 -0.87201 C 0.11253 -3.58298 0.28188 C 0.56820 -2.75755 1.32856 C 0.51137 -1.37474 1.17931 C 0.00066 -0.74496 0.01598 H -0.82452 -3.60880 -1.67921 H 0.98526 -3.21339 2.23284 H 0.91647 -0.74407 1.97684 C -2.14053 -0.13443 -2.38753 C -2.59306 0.24172 -3.67704 C -2.05060 -0.29047 -4.84703 C -1.01009 -1.23817 -4.75672 C -0.54650 -1.62883 -3.49058 C -1.08747 -1.08560 -2.30267 H -3.41658 0.96193 -3.75197 H -2.41327 0.01236 -5.83521 H 0.28712 -2.32805 -3.40065 C -3.18934 -0.27042 -0.07910 C -3.76874 0.35063 1.03184 C -3.92984 1.75669 1.07466 C -3.57346 2.51136 -0.07011 C -3.01440 1.88141 -1.18371 C -2.78093 0.48656 -1.20213 H -4.07620 -0.23574 1.90597 H -3.73133 3.59612 -0.07659 H -2.71176 2.48277 -2.04860 O 0.51137 1.70100 -5.94514 O -0.24232 4.93456 0.48387 O -0.51137 -1.70100 -5.94514 O 0.24232 -4.93456 0.48387 C -0.18229 -5.80093 -0.57535 H 0.38153 -5.59771 -1.51002 H 0.02545 -6.82707 -0.22853 H -1.26738 -5.68617 -0.77869 C 0.48112 -2.73427 -5.88420 H 0.08513 -3.63640 -5.37238 H 0.72804 -2.97519 -6.93173 H 1.38899 -2.38349 -5.35437 C -0.48112 2.73427 -5.88420 H -0.08513 3.63640 -5.37238 H -0.72804 2.97519 -6.93173 H -1.38899 2.38349 -5.35437 C 0.18229 5.80093 -0.57535 H -0.38153 5.59771 -1.51002 H -0.02545 6.82707 -0.22853 H 1.26738 5.68617 -0.77869 H 3.04316 1.35571 -0.08195 H -3.04316 -1.35571 -0.08195 N 4.44323 -2.31932 2.25696 N -4.44323 2.31932 2.25696 C 4.04796 -3.49858 2.62100 H 3.27544 -4.06280 2.05483 C -4.04796 3.49858 2.62100 H -3.27544 4.06280 2.05483 C -4.56890 4.17289 3.81763 C -4.05985 5.44760 4.16294 C -5.56281 3.58301 4.63854 C -4.53191 6.12079 5.30059 H -3.28897 5.90523 3.52877 C -6.03101 4.25573 5.77312 H -5.94785 2.59490 4.36292 C -5.51849 5.52669 6.10812 H -4.13056 7.10840 5.55877 H -6.79997 3.79305 6.40425 H -5.88903 6.05077 6.99780 C 4.56890 -4.17289 3.81763 C 4.05985 -5.44760 4.16294 C 5.56281 -3.58301 4.63854 C 4.53191 -6.12079 5.30059 H 3.28897 -5.90523 3.52877 C 6.03101 -4.25573 5.77312 H 5.94785 -2.59490 4.36292 C 5.51849 -5.52669 6.10812 H 4.13056 -7.10840 5.55877 H 6.79997 -3.79305 6.40425 H 5.88903 -6.05077 6.99780 oP6M' AAB C -2.12960 -2.28853 -0.72070 C -3.42547 -2.58364 -1.20368 C -4.53849 -1.83280 -0.80211 C -4.38968 -0.76467 0.11898 C -3.10038 -0.50638 0.64623 C -1.99311 -1.23958 0.21701 H -3.55716 -3.40300 -1.92118 H -5.53601 -2.08491 -1.18119 H -2.98806 0.29379 1.38738 C 0.28480 -2.47409 -1.57261 C 1.36089 -3.30888 -1.94854 C 1.25760 -4.71033 -1.90677 C 0.03015 -5.30192 -1.53957 C -1.04635 -4.48218 -1.19332 C -0.94983 -3.07002 -1.17670 H 2.28880 -2.84185 -2.27912 H -0.05363 -6.39434 -1.51682 H -1.98860 -4.94480 -0.87713 C 1.64008 -0.32569 -1.20630 C 1.73528 1.07375 -1.38765 C 0.71164 1.81907 -1.97342 C -0.45349 1.16124 -2.42145 C -0.54969 -0.23375 -2.29161 C 0.47023 -0.99105 -1.66890 H 2.62616 1.58742 -1.01112 H 0.78476 2.90793 -2.07175 H -1.43069 -0.75973 -2.66275 C 2.74073 -1.82540 0.55973 C 3.86157 -2.58379 0.96668 C 5.06708 -2.54482 0.23963 C 5.15881 -1.71369 -0.89774 C 4.03986 -0.98492 -1.30896 C 2.80800 -1.04133 -0.61617 H 3.77842 -3.17724 1.88139 H 6.10305 -1.67139 -1.45226 H 4.10074 -0.37541 -2.21857 C 1.03664 -0.71434 2.10852 C -0.05413 -0.88471 2.99858 C -0.64344 -2.12868 3.22362 C -0.15282 -3.26627 2.54741 C 0.93955 -3.12760 1.67069 C 1.53926 -1.86979 1.44762 H -0.43692 -0.00808 3.53382 H -1.48680 -2.24225 3.91352 H 1.32349 -3.98593 1.11368 C 2.96968 0.92475 1.88333 C 3.44658 2.21956 1.65728 C 2.55253 3.28729 1.40044 C 1.16056 3.02855 1.45636 C 0.69190 1.73446 1.70189 C 1.58098 0.65097 1.89399 H 4.52309 2.42713 1.65156 H 0.45049 3.85024 1.30743 H -0.38794 1.54628 1.70928 O 2.27926 -5.57064 -2.20784 O -1.42995 1.95734 -2.96299 O -0.79770 -4.44346 2.80870 O 6.19333 -3.25768 0.55436 C 6.12897 -4.12095 1.69726 H 5.33678 -4.88852 1.57469 H 7.11606 -4.60762 1.76216 H 5.93190 -3.54432 2.62456 C -0.23656 -5.64163 2.25091 H 0.80439 -5.79212 2.60592 H -0.87719 -6.46519 2.60770 H -0.24142 -5.60796 1.14404 C 3.56534 -4.99263 -2.48341 H 3.90985 -4.36222 -1.63856 H 4.25051 -5.84425 -2.62846 H 3.53751 -4.37414 -3.40417 C -2.68159 1.33143 -3.28137 H -3.11092 0.82399 -2.39277 H -3.34796 2.14527 -3.61277 H -2.56458 0.58947 -4.09853 H -1.00270 -1.00876 0.61087 H 3.68042 0.11121 2.05850 N -5.45603 0.02723 0.58038 N 3.10231 4.55491 1.13804 C -6.42569 0.32843 -0.22196 H -6.41695 0.03146 -1.29400 C 2.51530 5.33832 0.29126 H 1.61885 5.01710 -0.28355 C 2.99256 6.69841 0.00771 C 2.30654 7.48060 -0.95135 C 4.12113 7.24817 0.66604 C 2.73554 8.78372 -1.24787 H 1.43227 7.05634 -1.46207 C 4.54779 8.54721 0.36739 H 4.64459 6.63266 1.40575 C 3.85683 9.31975 -0.58950 H 2.19656 9.38184 -1.99240 H 5.42226 8.96646 0.87993 H 4.19397 10.33780 -0.81964 C -7.60066 1.09689 0.21071 C -8.60807 1.40290 -0.73467 C -7.75314 1.54096 1.54830 C -9.74423 2.13458 -0.35532 H -8.49191 1.05997 -1.77109 C -8.88609 2.27190 1.92359 H -6.96619 1.29923 2.27100 C -9.88573 2.57077 0.97424 H -10.51957 2.36554 -1.09565 H -8.99744 2.61298 2.96012 H -10.77259 3.14276 1.27307 oP6M' ABB C -3.28931 -0.13161 -1.85222 C -2.00539 0.10487 -2.38432 C -1.46603 1.39513 -2.41189 C -2.21539 2.49592 -1.93426 C -3.54606 2.27895 -1.50938 C -4.05937 0.97715 -1.43412 H -1.40381 -0.74527 -2.72238 H -0.44821 1.55986 -2.78326 H -4.13339 3.13965 -1.17115 C -4.07281 -2.18865 -0.56421 C -4.64835 -3.48176 -0.57679 C -4.95082 -4.13027 -1.78949 C -4.66777 -3.47953 -3.01031 C -4.12148 -2.19407 -2.99437 C -3.83061 -1.51774 -1.78671 H -4.81320 -3.98239 0.38147 H -4.89371 -3.99242 -3.95204 H -3.92417 -1.68076 -3.94323 C -2.34157 -1.44390 1.18118 C -2.09780 -1.08898 2.53084 C -3.12715 -0.89407 3.45023 C -4.46880 -1.05055 3.03773 C -4.73845 -1.44564 1.71441 C -3.69205 -1.64723 0.78330 H -1.06062 -0.95277 2.85548 H -2.91784 -0.61437 4.48883 H -5.76622 -1.60160 1.37459 C -0.19228 -0.57469 0.08941 C 0.84283 -0.77302 -0.85381 C 0.94656 -1.95471 -1.60254 C -0.02838 -2.96158 -1.43786 C -1.07291 -2.75891 -0.53531 C -1.19044 -1.58100 0.24214 H 1.57343 0.02439 -0.99319 H 0.05240 -3.88850 -2.01653 H -1.82614 -3.54342 -0.41305 C 0.99218 1.33021 1.32947 C 0.91394 2.63310 1.87755 C -0.29888 3.31503 2.00435 C -1.48524 2.69250 1.56902 C -1.42036 1.43217 0.95222 C -0.20354 0.73133 0.82455 H 1.83069 3.09640 2.26097 H -0.35003 4.30954 2.46052 H -2.32606 0.98723 0.54394 C 2.44318 -0.68697 1.81126 C 3.67757 -1.34029 1.79337 C 4.82586 -0.70413 1.25938 C 4.70696 0.63585 0.81162 C 3.47004 1.29233 0.85963 C 2.30973 0.63935 1.33442 H 3.77655 -2.36481 2.17042 H 5.59526 1.16427 0.44585 H 3.39272 2.32534 0.49879 O -5.49942 -5.38083 -1.89065 O -5.42092 -0.80040 3.99002 O -2.65312 3.38559 1.76256 O 1.94683 -2.21663 -2.50166 C 3.01327 -1.26075 -2.59104 H 3.49445 -1.10504 -1.60327 H 3.73848 -1.68674 -3.30414 H 2.64667 -0.28397 -2.97054 C -3.84328 2.59428 1.95163 H -3.67845 1.82102 2.72823 H -4.62333 3.30410 2.27637 H -4.15870 2.10017 1.01493 C -5.78445 -6.07775 -0.67081 H -6.51072 -5.51533 -0.04807 H -6.21955 -7.04494 -0.97196 H -4.85978 -6.24782 -0.08124 C -6.79378 -0.94317 3.60342 H -7.01577 -1.98384 3.28836 H -7.38621 -0.68861 4.49765 H -7.04922 -0.25309 2.77257 H -5.07233 0.80985 -1.04857 H 1.55882 -1.20722 2.19483 N -1.68918 3.79779 -1.84265 N 6.03098 -1.42768 1.25029 C -0.49820 3.92363 -1.35046 H 0.07174 3.04983 -0.97104 C 6.86802 -1.26434 0.27698 H 6.63749 -0.61155 -0.59391 C 8.17366 -1.93596 0.23417 C 9.02316 -1.71547 -0.87579 C 8.60583 -2.79866 1.27267 C 10.27771 -2.34044 -0.94920 H 8.69014 -1.04746 -1.68079 C 9.85647 -3.42202 1.19613 H 7.93930 -2.96317 2.12625 C 10.69690 -3.19500 0.08617 H 10.92895 -2.16235 -1.81330 H 10.18453 -4.08917 2.00256 H 11.67668 -3.68485 0.03087 C 0.17636 5.22261 -1.22321 C 1.47059 5.26443 -0.65419 C -0.43236 6.43054 -1.64297 C 2.14718 6.48540 -0.50979 H 1.93383 4.32842 -0.31920 C 0.24320 7.64803 -1.49613 H -1.43735 6.38568 -2.07679 C 1.53482 7.67982 -0.93042 H 3.15024 6.50780 -0.06683 H -0.23379 8.58064 -1.82160 H 2.06042 8.63589 -0.81705 oP6M' BAB C 1.48630 2.01996 -0.83473 C 2.31035 2.93435 -1.52855 C 1.81809 4.18184 -1.93718 C 0.47187 4.54495 -1.67516 C -0.37292 3.59852 -1.04464 C 0.13417 2.36830 -0.62198 H 3.35821 2.67392 -1.72329 H 2.46901 4.87834 -2.47897 H -1.42302 3.85718 -0.86774 C 1.84708 0.31119 1.03247 C 2.36536 -0.94142 1.43548 C 3.02996 -1.78582 0.52756 C 3.24241 -1.35111 -0.79733 C 2.74854 -0.10839 -1.19663 C 2.02811 0.73519 -0.31748 H 2.23303 -1.24925 2.47258 H 3.76210 -2.01088 -1.50067 H 2.88166 0.21213 -2.23663 C 0.26935 0.69921 3.01973 C -0.18767 1.58520 4.02406 C 0.19896 2.92692 4.06849 C 1.09795 3.41745 3.09622 C 1.62225 2.53489 2.13843 C 1.21162 1.18218 2.07262 H -0.90338 1.20828 4.76495 H -0.19159 3.60972 4.83157 H 2.35509 2.88872 1.41148 C -1.21162 -1.18218 2.07262 C -1.62225 -2.53489 2.13843 C -1.09795 -3.41745 3.09622 C -0.19896 -2.92692 4.06849 C 0.18767 -1.58520 4.02406 C -0.26935 -0.69921 3.01973 H -2.35509 -2.88872 1.41148 H 0.19159 -3.60972 4.83157 H 0.90338 -1.20828 4.76495 C -2.02811 -0.73519 -0.31748 C -2.74854 0.10839 -1.19663 C -3.24241 1.35111 -0.79733 C -3.02996 1.78582 0.52756 C -2.36536 0.94142 1.43548 C -1.84708 -0.31119 1.03247 H -2.88166 -0.21213 -2.23663 H -3.76210 2.01088 -1.50067 H -2.23303 1.24925 2.47258 C -0.13417 -2.36830 -0.62198 C 0.37292 -3.59852 -1.04464 C -0.47187 -4.54495 -1.67516 C -1.81809 -4.18184 -1.93718 C -2.31035 -2.93435 -1.52855 C -1.48630 -2.01996 -0.83473 H 1.42302 -3.85718 -0.86774 H -2.46901 -4.87834 -2.47897 H -3.35821 -2.67392 -1.72329 O 3.47927 -3.04478 0.82704 O 1.40134 4.75124 3.16763 O -3.47927 3.04478 0.82704 O -1.40134 -4.75124 3.16763 C -2.18630 -5.30110 2.09800 H -1.71177 -5.10584 1.11411 H -2.23397 -6.38603 2.28934 H -3.21201 -4.87752 2.09370 C -3.13257 3.57374 2.11749 H -2.03420 3.56282 2.26892 H -3.50934 4.60970 2.12626 H -3.61486 2.99263 2.93039 C 3.13257 -3.57374 2.11749 H 2.03420 -3.56282 2.26892 H 3.50934 -4.60970 2.12626 H 3.61486 -2.99263 2.93039 C 2.18630 5.30110 2.09800 H 1.71177 5.10584 1.11411 H 2.23397 6.38603 2.28934 H 3.21201 4.87752 2.09370 H -0.51629 1.65755 -0.11224 H 0.51629 -1.65755 -0.11224 N -0.09022 5.77965 -2.04592 N 0.09022 -5.77965 -2.04592 C 0.62714 6.85433 -1.97859 H 1.66517 6.84479 -1.57831 C -0.62714 -6.85433 -1.97859 H -1.66517 -6.84479 -1.57831 C -0.12649 -8.16841 -2.40416 C -0.97060 -9.29757 -2.28302 C 1.17887 -8.33689 -2.93058 C -0.52419 -10.56798 -2.67916 H -1.98208 -9.16923 -1.87598 C 1.62225 -9.60503 -3.32297 H 1.82383 -7.45580 -3.01826 C 0.77297 -10.72457 -3.19956 H -1.18667 -11.43647 -2.58208 H 2.63382 -9.72862 -3.72862 H 1.12427 -11.71634 -3.50941 C 0.12649 8.16841 -2.40416 C 0.97060 9.29757 -2.28302 C -1.17887 8.33689 -2.93058 C 0.52419 10.56798 -2.67916 H 1.98208 9.16923 -1.87598 C -1.62225 9.60503 -3.32297 H -1.82383 7.45580 -3.01826 C -0.77297 10.72457 -3.19956 H 1.18667 11.43647 -2.58208 H -2.63382 9.72862 -3.72862 H -1.12427 11.71634 -3.50941 oP6M' BBB C -1.74128 4.17058 -0.56586 C -1.84213 5.55171 -0.85290 C -1.51144 6.52073 0.10353 C -1.07965 6.13456 1.39778 C -1.03018 4.75241 1.70598 C -1.33697 3.79323 0.73789 H -2.16796 5.86751 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C 3.80799 4.84323 0.27541 C 4.42576 5.80862 1.08329 C 5.69718 5.54629 1.62359 C 6.32784 4.32283 1.35618 C 5.71718 3.33351 0.54674 H 2.81852 5.03873 -0.15474 H 3.91820 6.75868 1.29022 H 6.19196 6.28701 2.26380 H 7.30394 4.10627 1.80665 C 2.52411 2.01251 -0.59398 C 1.98105 1.09614 -1.52292 C 2.60566 0.82045 -2.74369 C 3.81048 1.46514 -3.07448 C 4.37697 2.36246 -2.15939 C 3.75465 2.64624 -0.92341 H 1.05234 0.58571 -1.26791 H 2.15491 0.09149 -3.42810 H 4.31095 1.26300 -4.02953 H 5.32522 2.86110 -2.39277 C 0.40477 2.39378 0.80560 C -0.19502 2.53337 2.07764 C 0.56380 2.48663 3.25904 C 1.96309 2.33480 3.16784 C 2.56029 2.22241 1.91186 C 1.81872 2.23683 0.70543 H -1.27380 2.68141 2.12749 H 2.56257 2.29752 4.08437 H 3.64331 2.08892 1.87032 C -1.69509 1.71015 -0.48683 C -2.49379 1.86801 -1.64327 C -2.12139 2.70942 -2.69387 C -0.92000 3.44561 -2.60077 C -0.12706 3.32728 -1.44736 C -0.49077 2.45967 -0.39192 H -3.41947 1.28732 -1.72304 H -2.73742 2.80115 -3.59564 H 0.79980 3.89592 -1.35069 C 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-1.87902 -1.22613 C -10.94319 -0.07616 -1.03301 C -12.03433 -0.69877 -1.68437 C -11.07941 1.26285 -0.58788 C -13.23623 -0.00275 -1.88719 H -11.93073 -1.73594 -2.02963 C -12.27829 1.95540 -0.79274 H -10.22791 1.73533 -0.08576 C -13.36073 1.32563 -1.44215 H -14.07601 -0.49503 -2.39255 H -12.37675 2.99169 -0.44643 H -14.29893 1.87189 -1.59973 C 9.42063 -1.85065 -0.90542 H 9.74430 -1.03502 -1.58916 C 10.16392 -3.11230 -1.03021 C 11.20586 -3.20406 -1.98328 C 9.86642 -4.23959 -0.22373 C 11.93703 -4.39329 -2.12933 H 11.43752 -2.33203 -2.60898 C 10.59576 -5.42487 -0.37246 H 9.05683 -4.15837 0.51006 C 11.63355 -5.50605 -1.32451 H 12.74308 -4.45342 -2.87069 H 10.35979 -6.29389 0.25415 H 12.20320 -6.43679 -1.43703 oP6DPB3+3' Heterochiral (AAA)3 H -3.78700 14.56900 2.90500 C -2.99600 15.83000 1.32200 C -1.87300 16.06200 0.49500 C -0.76100 15.21800 0.52900 C -0.73100 14.10600 1.40800 C -1.82500 13.91200 2.28700 C -2.94200 14.74800 2.23300 H -1.89300 16.90000 -0.21000 H 0.09600 15.41600 -0.12500 H -1.78400 13.07400 2.99300 C -5.51800 16.25700 1.26400 C -6.57100 17.19900 1.28400 C -6.33000 18.57800 1.27200 C -5.00800 19.04800 1.23100 C -3.95000 18.12900 1.22100 C -4.17400 16.73300 1.25500 H -7.60200 16.82800 1.26600 H -7.17200 19.28000 1.27400 H -4.79800 20.12500 1.21600 H -2.91500 18.49200 1.22900 C -5.38900 13.83400 0.38100 C -5.77200 12.48500 0.56300 C -6.63400 12.08700 1.59100 C -7.14900 13.05300 2.47000 C -6.77400 14.39400 2.31200 C -5.88600 14.81000 1.29100 H -5.40700 11.74000 -0.15200 H -6.91100 11.03200 1.69400 H -7.83100 12.76600 3.28100 H -7.14300 15.14700 3.01800 C -4.64600 15.13000 -1.72600 C -3.66900 15.28900 -2.73700 C -2.53500 14.46900 -2.81200 C -2.35600 13.45700 -1.85700 C -3.30200 13.29700 -0.83900 C -4.44800 14.12100 -0.74100 H -3.83300 16.05800 -3.50200 H -1.80400 14.61600 -3.61700 H -1.47700 12.80200 -1.89300 H -3.14000 12.54000 -0.06500 C -7.18300 15.57200 -1.77400 C -8.22600 16.52600 -1.82600 C -7.96700 17.89900 -1.92400 C -6.63800 18.35000 -1.96800 C -5.59300 17.42100 -1.89500 C -5.83400 16.03300 -1.78600 H -9.26200 16.16700 -1.83000 H -8.80000 18.61200 -1.97400 H -6.41400 19.42000 -2.03700 H -4.55500 17.77200 -1.87900 C -6.90200 13.19100 -2.58900 C -7.25800 11.84100 -2.55800 C -8.24800 11.37400 -1.65900 C -8.92700 12.31900 -0.85100 C -8.58100 13.67200 -0.90400 C -7.54500 14.13100 -1.74900 H -6.76000 11.11300 -3.20900 H -9.73000 11.98500 -0.18400 H -9.09500 14.38700 -0.25300 H -6.11700 13.53000 -3.27200 N -8.50900 9.99400 -1.64600 C -8.86100 9.41900 -0.53800 H -8.91200 9.97100 0.42500 C -9.18600 7.99200 -0.46700 C -9.50500 7.41700 0.78800 C -9.18200 7.16300 -1.61900 C -9.80300 6.05700 0.90100 H -9.51300 8.05200 1.68300 C -9.47900 5.80600 -1.51900 H -8.93400 7.61400 -2.58500 C -9.79300 5.22500 -0.25300 H -10.04400 5.61900 1.87600 H -9.47200 5.16900 -2.41000 N 0.32900 13.18800 1.48900 C 1.02300 12.90900 0.43000 H 0.77900 13.33300 -0.56800 C 2.16400 11.99100 0.46500 C 2.86400 11.70800 -0.73500 C 2.58800 11.36700 1.66700 C 3.94900 10.83000 -0.74400 H 2.54300 12.18800 -1.66800 C 3.66700 10.48700 1.67000 H 2.04300 11.58900 2.59000 C 4.36900 10.19900 0.46100 H 4.48300 10.61500 -1.67600 H 3.98800 10.00500 2.60000 C -10.08100 3.84000 -0.14900 C 5.46200 9.29500 0.46300 C -10.32000 2.62600 -0.06100 C 6.40900 8.49400 0.47500 H -10.62600 -10.38300 3.27400 C -12.17100 -10.42700 1.74800 C -12.96900 -9.62400 0.90000 C -12.79900 -8.23800 0.84400 C -11.82400 -7.60300 1.65300 C -11.07300 -8.39600 2.55500 C -11.23200 -9.78300 2.58800 H -13.70600 -10.10500 0.24900 H -13.42400 -7.63700 0.17500 H -10.34600 -7.89700 3.20600 C -11.27000 -12.82100 1.79100 C -11.55000 -14.20100 1.90200 C -12.86200 -14.68600 1.97400 C -13.93600 -13.78200 1.92700 C -13.67800 -12.40900 1.82700 C -12.35800 -11.90000 1.77500 H -10.71200 -14.90600 1.88900 H -13.04300 -15.76400 2.04500 H -14.97100 -14.14300 1.97800 H -14.51200 -11.69800 1.83000 C -9.28100 -11.54400 0.74700 C -7.91500 -11.19400 0.84700 C -7.09300 -11.68500 1.86700 C -7.62900 -12.56300 2.82200 C -8.98400 -12.91500 2.74500 C -9.83400 -12.41100 1.73200 H -7.48700 -10.54700 0.07500 H -6.03600 -11.39400 1.90500 H -7.00400 -12.96500 3.62800 H -9.41800 -13.57000 3.50900 C -10.86700 -11.66700 -1.28800 C -11.54100 -10.95900 -2.31100 C -11.40400 -9.57300 -2.47100 C -10.57600 -8.85900 -1.59100 C -9.91800 -9.54100 -0.56100 C -10.05100 -10.93700 -0.37800 H -12.15700 -11.52800 -3.01700 H -11.93400 -9.06000 -3.28200 H -10.45100 -7.77500 -1.69400 H -9.30900 -8.97900 0.15400 C -9.96900 -14.08000 -1.24700 C -10.26700 -15.46300 -1.21000 C -11.58600 -15.93500 -1.22100 C -12.64700 -15.01700 -1.26600 C -12.37200 -13.64500 -1.28000 C -11.04900 -13.14900 -1.25900 H -9.43400 -16.17700 -1.21500 H -11.78100 -17.01400 -1.20400 H -13.68700 -15.36600 -1.26800 H -13.19800 -12.92600 -1.26600 C -8.10100 -12.68000 -2.22600 C -6.75600 -12.30600 -2.28000 C -5.80800 -12.88000 -1.39900 C -6.23900 -13.90300 -0.51700 C -7.58200 -14.28700 -0.48400 C -8.54400 -13.66600 -1.31300 H -6.41300 -11.54300 -2.98800 H -5.51300 -14.39600 0.14000 H -7.90600 -15.05800 0.22400 H -8.82300 -12.20900 -2.90100 N -4.48800 -12.40900 -1.47900 C -3.74000 -12.39700 -0.42100 H -4.12100 -12.70200 0.57800 C -2.34400 -11.95400 -0.45700 C -1.59000 -11.93900 0.74300 C -1.72300 -11.52800 -1.66000 C -0.26000 -11.51100 0.75200 H -2.06200 -12.26800 1.67700 C -0.39900 -11.09700 -1.66400 H -2.31200 -11.54200 -2.58300 C 0.35900 -11.07900 -0.45400 H 0.31500 -11.50100 1.68400 H 0.07400 -10.76600 -2.59400 N -11.56500 -6.22200 1.63600 C -11.68200 -5.56200 0.52700 H -11.93100 -6.06000 -0.43500 C -11.46600 -4.11500 0.45200 C -11.55200 -3.46600 -0.80500 C -11.16000 -3.34100 1.60200 C -11.33500 -2.09100 -0.92100 H -11.79000 -4.05600 -1.69800 C -10.94400 -1.97000 1.50000 H -11.09400 -3.84900 2.57000 C -11.02400 -1.31700 0.23300 H -11.40000 -1.59800 -1.89600 H -10.70500 -1.37700 2.39000 C 1.70400 -10.63000 -0.45800 C -10.78900 0.07800 0.12600 C 2.87700 -10.22500 -0.47100 C -10.57000 1.29500 0.03700 H 14.87900 -1.58100 3.11700 C 16.07000 -0.59000 1.59300 C 16.16500 0.56700 0.78600 C 15.16400 1.54100 0.79400 C 14.02700 1.39300 1.62800 C 13.96400 0.27100 2.49000 C 14.95800 -0.71000 2.46000 H 17.02300 0.68000 0.11500 H 15.25800 2.42700 0.15500 H 13.10200 0.17800 3.16100 C 16.86600 -3.02100 1.52900 C 17.95200 -3.92400 1.57800 C 19.27900 -3.48200 1.62500 C 19.55000 -2.10400 1.61500 C 18.48700 -1.19300 1.57800 C 17.13800 -1.62200 1.55200 H 17.73800 -4.99700 1.53700 H 20.09700 -4.21100 1.64800 H 20.58400 -1.73900 1.64700 H 18.69200 -0.11700 1.61000 C 14.48700 -3.23600 0.54700 C 13.20500 -3.82000 0.66700 C 12.90000 -4.75100 1.66700 C 13.89500 -5.13100 2.58100 C 15.17000 -4.55600 2.48400 C 15.48900 -3.59900 1.49200 H 12.44400 -3.55900 -0.07500 H 11.89500 -5.18500 1.72000 H 13.68200 -5.86200 3.37000 H 15.94100 -4.82100 3.21800 C 15.74100 -2.27200 -1.49500 C 15.79400 -1.26400 -2.48700 C 14.81600 -0.26500 -2.58400 C 13.75000 -0.25600 -1.67200 C 13.69300 -1.23400 -0.67200 C 14.67500 -2.24400 -0.55100 H 16.60900 -1.29800 -3.21900 H 14.88500 0.49400 -3.37400 H 12.97100 0.51400 -1.72700 H 12.88800 -1.20100 0.06800 C 16.55400 -4.71500 -1.55600 C 17.65300 -5.60600 -1.58200 C 18.97600 -5.14600 -1.61900 C 19.22700 -3.76500 -1.62600 C 18.15300 -2.86800 -1.57900 C 16.81200 -3.31300 -1.53200 H 17.45100 -6.68300 -1.61600 H 19.80500 -5.86400 -1.65000 H 20.25500 -3.38500 -1.64700 H 18.34600 -1.79100 -1.53600 C 14.19100 -4.76700 -2.46400 C 12.90700 -5.31600 -2.49300 C 12.55600 -6.38400 -1.63100 C 13.56100 -6.93700 -0.79800 C 14.84900 -6.39600 -0.79100 C 15.18300 -5.28400 -1.59800 H 12.13900 -4.91500 -3.16500 H 13.32500 -7.79600 -0.15900 H 15.60700 -6.81500 -0.12000 H 14.43700 -3.92700 -3.12100 N 11.22900 -6.84100 -1.67900 C 10.67400 -7.32100 -0.61100 H 11.19500 -7.33900 0.37100 C 9.30800 -7.84900 -0.61100 C 8.74900 -8.32800 0.60000 C 8.51900 -7.88800 -1.79100 C 7.44500 -8.82700 0.64300 H 9.35300 -8.30300 1.51600 C 7.21700 -8.38200 -1.76000 H 8.95700 -7.51600 -2.72300 C 6.65300 -8.86100 -0.53900 H 7.02000 -9.19300 1.58400 H 6.61100 -8.40700 -2.67200 N 12.95900 2.30400 1.67700 C 12.61700 2.95400 0.60900 H 13.10900 2.78200 -0.37200 C 11.53800 3.94500 0.61000 C 11.19100 4.59500 -0.60000 C 10.81800 4.26800 1.79100 C 10.15800 5.53400 -0.64200 H 11.74300 4.35200 -1.51600 C 9.78600 5.20200 1.76100 H 11.09100 3.76200 2.72300 C 9.43400 5.85300 0.54000 H 9.89500 6.03000 -1.58300 H 9.23100 5.44500 2.67400 C 5.32400 -9.35400 -0.50700 C 8.37400 6.79600 0.50900 C 4.15700 -9.77400 -0.48800 C 7.43900 7.61000 0.49100 oP6DPB3+3' Homochiral (AAA)3 H -1.34000 14.92200 -3.06400 C -2.46100 15.90200 -1.48200 C -3.57400 15.77700 -0.62000 C -4.34600 14.61300 -0.59500 C -4.03200 13.52700 -1.45100 C -2.96000 13.67600 -2.36500 C -2.17900 14.83400 -2.36700 H -3.81200 16.59700 0.06800 H -5.20200 14.53700 0.08500 H -2.74200 12.85000 -3.05100 C -0.22000 17.13500 -1.52100 C 0.46300 18.36900 -1.60100 C -0.21800 19.59200 -1.61600 C -1.62100 19.60300 -1.54000 C -2.31600 18.38900 -1.47000 C -1.64500 17.14300 -1.47700 H 1.55800 18.35800 -1.61100 H 0.34500 20.53100 -1.66500 H -2.17200 20.55100 -1.54500 H -3.41200 18.39100 -1.45100 C 0.47800 14.83600 -0.57300 C 1.28300 13.68500 -0.73100 C 2.20600 13.55900 -1.77600 C 2.35100 14.60700 -2.69700 C 1.55600 15.75300 -2.56200 C 0.60400 15.88900 -1.52400 H 1.20300 12.88800 0.01600 H 2.81500 12.65100 -1.85900 H 3.07100 14.53400 -3.52200 H 1.63800 16.56100 -3.29900 C -0.60400 15.88900 1.52400 C -1.55600 15.75300 2.56200 C -2.35100 14.60700 2.69700 C -2.20600 13.55900 1.77600 C -1.28300 13.68500 0.73100 C -0.47800 14.83600 0.57300 H -1.63800 16.56100 3.29900 H -3.07100 14.53400 3.52200 H -2.81500 12.65100 1.85900 H -1.20300 12.88800 -0.01600 C 1.64500 17.14300 1.47700 C 2.31600 18.38900 1.47000 C 1.62000 19.60300 1.54000 C 0.21800 19.59200 1.61600 C -0.46400 18.36900 1.60100 C 0.22000 17.13500 1.52100 H 3.41200 18.39100 1.45100 H 2.17200 20.55100 1.54500 H -0.34500 20.53100 1.66500 H -1.55900 18.35800 1.61100 C 2.17900 14.83400 2.36700 C 2.96000 13.67600 2.36500 C 4.03200 13.52700 1.45000 C 4.34600 14.61300 0.59500 C 3.57400 15.77700 0.62000 C 2.46100 15.90200 1.48200 H 2.74200 12.85000 3.05100 H 5.20200 14.53700 -0.08500 H 3.81200 16.59700 -0.06800 H 1.34000 14.92200 3.06400 N 4.73300 12.31100 1.47100 C 5.24400 11.84500 0.37500 H 5.10300 12.35000 -0.60500 C 6.02000 10.60300 0.34000 C 6.50700 10.12500 -0.90300 C 6.29200 9.85400 1.51500 C 7.23600 8.93700 -0.98000 H 6.30300 10.69900 -1.81500 C 7.01900 8.66800 1.45000 H 5.91300 10.22800 2.47100 C 7.50400 8.18400 0.19700 H 7.60500 8.57300 -1.94500 H 7.22400 8.09200 2.35900 N -4.73300 12.31100 -1.47100 C -5.24400 11.84500 -0.37500 H -5.10300 12.35000 0.60500 C -6.02000 10.60300 -0.34000 C -6.50700 10.12500 0.90200 C -6.29200 9.85400 -1.51500 C -7.23600 8.93700 0.98000 H -6.30300 10.69900 1.81500 C -7.01900 8.66800 -1.45000 H -5.91300 10.22800 -2.47100 C -7.50400 8.18400 -0.19700 H -7.60500 8.57300 1.94500 H -7.22400 8.09200 -2.35900 C 8.23300 6.96900 0.12900 C -8.23300 6.96900 -0.12900 C 8.86000 5.90100 0.07300 C -8.86000 5.90000 -0.07300 H -12.24400 -8.65300 -3.03900 C -12.53900 -10.09600 -1.44100 C -11.87700 -10.98900 -0.56600 C -10.48300 -11.07500 -0.53700 C -9.69700 -10.27000 -1.39900 C -10.35800 -9.42600 -2.32400 C -11.75200 -9.32800 -2.33200 H -12.47000 -11.59600 0.12500 H -9.99200 -11.77100 0.15300 H -9.74900 -8.83300 -3.01600 C -14.72900 -8.77400 -1.50500 C -16.13900 -8.80300 -1.59200 C -16.85500 -10.00500 -1.59600 C -16.16200 -11.22300 -1.50200 C -14.76300 -11.21600 -1.42500 C -14.02200 -10.01100 -1.44300 H -16.67800 -7.85000 -1.61500 H -17.95000 -9.98900 -1.65000 H -16.70600 -12.17600 -1.49800 H -14.21600 -12.16600 -1.39200 C -13.09300 -7.00900 -0.57000 C -12.49600 -5.73800 -0.74100 C -12.84400 -4.88900 -1.79700 C -13.82100 -5.29800 -2.71800 C -14.41700 -6.55800 -2.57100 C -14.06300 -7.43800 -1.52000 H -11.76800 -5.40100 0.00400 H -12.36200 -3.90800 -1.89000 H -14.11400 -4.64700 -3.55100 H -15.15400 -6.89800 -3.30700 C -13.47300 -8.44800 1.54200 C -12.88400 -9.19300 2.59100 C -11.49500 -9.30800 2.73300 C -10.65500 -8.66900 1.80800 C -11.22100 -7.94500 0.75200 C -12.62000 -7.82400 0.58700 H -13.54600 -9.65900 3.33100 H -11.07500 -9.88600 3.56600 H -9.56500 -8.74400 1.89600 H -10.56800 -7.48600 0.00300 C -15.68200 -7.12600 1.46800 C -17.09600 -7.16600 1.45400 C -17.80200 -8.37400 1.53500 C -17.09200 -9.58300 1.63000 C -15.69300 -9.56300 1.62300 C -14.96400 -8.35600 1.53100 H -17.64500 -6.21800 1.42000 H -18.89800 -8.36900 1.53400 H -17.62500 -10.53900 1.68800 H -15.13700 -10.50600 1.64700 C -13.95500 -5.50000 2.35200 C -13.34200 -4.24500 2.34000 C -13.74200 -3.25200 1.41200 C -14.83300 -3.53200 0.55200 C -15.45700 -4.78200 0.58600 C -15.01400 -5.79900 1.46200 H -12.52300 -4.01300 3.03000 H -15.19000 -2.76100 -0.14000 H -16.28100 -4.99300 -0.10500 H -13.61600 -6.26200 3.06000 N -13.04000 -2.03600 1.42500 C -12.87700 -1.37700 0.32100 H -13.22900 -1.76600 -0.65800 C -12.19000 -0.08300 0.27800 C -11.99800 0.55900 -0.97000 C -11.69900 0.54500 1.45300 C -11.33400 1.78400 -1.05400 H -12.37600 0.08100 -1.88300 C -11.03600 1.76700 1.38200 H -11.85000 0.04400 2.41500 C -10.83700 2.41100 0.12300 H -11.18600 2.27200 -2.02400 H -10.65600 2.24600 2.29100 N -8.29300 -10.27200 -1.41800 C -7.63400 -10.47300 -0.32000 H -8.14200 -10.59300 0.66200 C -6.17100 -10.52600 -0.28500 C -5.51200 -10.70000 0.95800 C -5.38700 -10.39800 -1.46200 C -4.11800 -10.73900 1.03400 H -6.11100 -10.80200 1.87200 C -3.99700 -10.43700 -1.39900 H -5.90300 -10.26300 -2.41900 C -3.33400 -10.60600 -0.14600 H -3.61700 -10.87100 1.99900 H -3.39700 -10.33500 -2.31000 C -10.15000 3.64900 0.04900 C -1.91700 -10.63200 -0.08100 C -9.53800 4.72600 -0.00900 C -0.67800 -10.64100 -0.02900 H 13.61700 -6.26200 -3.06000 C 15.01400 -5.79900 -1.46200 C 15.45700 -4.78200 -0.58500 C 14.83300 -3.53200 -0.55100 C 13.74200 -3.25200 -1.41200 C 13.34200 -4.24500 -2.34000 C 13.95500 -5.50000 -2.35100 H 16.28100 -4.99300 0.10500 H 15.19000 -2.76000 0.14000 H 12.52300 -4.01300 -3.03000 C 14.96400 -8.35600 -1.53100 C 15.69300 -9.56300 -1.62300 C 17.09300 -9.58200 -1.63000 C 17.80200 -8.37400 -1.53500 C 17.09600 -7.16600 -1.45400 C 15.68200 -7.12600 -1.46800 H 15.13700 -10.50600 -1.64700 H 17.62600 -10.53900 -1.68800 H 18.89800 -8.36900 -1.53300 H 17.64500 -6.21800 -1.42000 C 12.62000 -7.82400 -0.58700 C 11.22100 -7.94500 -0.75200 C 10.65500 -8.66900 -1.80800 C 11.49500 -9.30800 -2.73300 C 12.88500 -9.19300 -2.59100 C 13.47300 -8.44800 -1.54100 H 10.56800 -7.48600 -0.00300 H 9.56500 -8.74300 -1.89600 H 11.07500 -9.88500 -3.56600 H 13.54600 -9.65900 -3.33100 C 14.06200 -7.43800 1.52000 C 14.41600 -6.55800 2.57100 C 13.82100 -5.29800 2.71800 C 12.84400 -4.88900 1.79700 C 12.49600 -5.73800 0.74100 C 13.09300 -7.00900 0.57000 H 15.15400 -6.89900 3.30700 H 14.11300 -4.64700 3.55100 H 12.36200 -3.90800 1.89000 H 11.76900 -5.40100 -0.00400 C 14.02100 -10.01100 1.44300 C 14.76300 -11.21600 1.42500 C 16.16200 -11.22400 1.50200 C 16.85500 -10.00600 1.59600 C 16.13800 -8.80300 1.59200 C 14.72800 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1.88300 C 11.03600 1.76700 -1.38200 H 11.85000 0.04400 -2.41500 C 10.83700 2.41100 -0.12400 H 11.18600 2.27200 2.02400 H 10.65600 2.24600 -2.29100 C 1.91700 -10.63100 0.08000 C 10.15000 3.64900 -0.05000 C 0.67800 -10.64100 0.02900 C 9.53800 4.72600 0.00900 oP6DPB3+3' Homochiral (AAA)2(AAB) H -2.41800 14.73000 -2.91800 C -3.73100 15.51400 -1.37400 C -4.88600 15.24100 -0.60600 C -5.54700 14.01400 -0.70000 C -5.07400 13.01100 -1.58300 C -3.95900 13.30700 -2.40500 C -3.29100 14.52900 -2.29000 H -5.24600 15.99500 0.10200 H -6.43800 13.82500 -0.09000 H -3.61800 12.54500 -3.11400 C -1.61700 16.94400 -1.18600 C -1.04900 18.23700 -1.15000 C -1.84000 19.39200 -1.14600 C -3.23900 19.27200 -1.17000 C -3.82100 17.99800 -1.21700 C -3.03600 16.82100 -1.24400 H 0.04000 18.32500 -1.08100 H -1.36600 20.37900 -1.10300 H -3.87600 20.16500 -1.16300 H -4.91100 17.90100 -1.27700 C -0.77000 14.66400 -0.31700 C 0.14700 13.60100 -0.48000 C 1.14400 13.62100 -1.46200 C 1.25000 14.73300 -2.31300 C 0.34500 15.79300 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1.86500 C 4.18800 12.07200 0.77800 H 4.05000 12.61800 -0.18000 C 5.08800 10.91700 0.72300 C 5.68100 10.56100 -0.51400 C 5.37800 10.13400 1.87100 C 6.53200 9.45900 -0.61300 H 5.46300 11.16200 -1.40600 C 6.22700 9.03300 1.78500 H 4.91600 10.41300 2.82300 C 6.82000 8.67200 0.53800 H 6.98400 9.18800 -1.57300 H 6.44700 8.43100 2.67400 N -5.65400 11.73900 -1.72000 C -6.21400 11.17300 -0.69800 H -6.21100 11.63500 0.31300 C -6.86800 9.86400 -0.79100 C -7.43300 9.28700 0.37200 C -6.94200 9.14900 -2.01500 C -8.05000 8.03400 0.32700 H -7.38000 9.83400 1.32200 C -7.55300 7.89800 -2.07100 H -6.50400 9.60100 -2.91100 C -8.11700 7.31500 -0.89800 H -8.48100 7.59400 1.23300 H -7.60400 7.34800 -3.01700 C 7.67300 7.54200 0.44400 C -8.72300 6.03200 -0.95200 C 8.40800 6.54800 0.35500 C -9.23500 4.90400 -1.00400 H 14.05600 -5.02800 -3.31900 C 15.50500 -4.49700 -1.78900 C 15.91700 -3.47100 -0.90800 C 15.19900 -2.27800 -0.79700 C 14.03900 -2.06500 -1.58400 C 13.66400 -3.06100 -2.51800 C 14.37400 -4.26100 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C 12.10400 1.52500 0.99400 C 11.68700 1.53900 -1.41200 C 11.33100 2.67900 1.14300 H 12.57000 1.06500 1.87400 C 10.91700 2.69000 -1.27600 H 11.83600 1.07500 -2.39300 C 10.72000 3.28200 0.00800 H 11.18700 3.12800 2.13200 H 10.44900 3.15300 -2.15200 C 2.89300 -9.96500 0.42900 C 9.91800 4.44400 0.14500 C 1.65300 -9.96000 0.47400 C 9.20200 5.45200 0.24800 H -11.59300 -10.83000 3.15700 C -11.49100 -8.88900 2.18400 C -10.61000 -7.93600 1.62200 C -9.23600 -8.17700 1.53400 C -8.69000 -9.39000 2.02400 C -9.56000 -10.32400 2.63800 C -10.93600 -10.08500 2.69700 H -11.01900 -7.00200 1.21900 H -8.57100 -7.42300 1.09700 H -9.13300 -11.24700 3.04700 C -13.93700 -9.53300 1.80100 C -15.29400 -9.14600 1.79900 C -15.69100 -7.86900 2.21900 C -14.72400 -6.95400 2.66700 C -13.37200 -7.31900 2.66400 C -12.94800 -8.59700 2.22300 H -16.03900 -9.86100 1.43400 H -16.75100 -7.58900 2.19000 H -15.02000 -5.95500 3.00900 H -12.61400 -6.60800 3.01400 C -12.76700 -11.28400 0.33400 C -12.41000 -12.63900 0.15000 C 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11.41900 -0.34100 -0.55700 C 11.93800 -1.32400 0.29100 C 13.26600 -1.79400 0.16600 H 14.19900 0.18600 -2.46700 H 11.84900 0.98500 -2.22900 H 10.38700 0.00300 -0.42500 H 11.30200 -1.76100 1.06700 C 16.53300 -1.58400 -0.15400 C 17.81300 -2.08200 -0.49100 C 18.09100 -2.59500 -1.76600 C 17.07400 -2.62100 -2.73400 C 15.79000 -2.17900 -2.39700 C 15.49100 -1.67900 -1.11100 H 18.61400 -2.00600 0.25400 H 19.09800 -2.95900 -2.00400 H 17.27200 -3.01200 -3.73900 H 14.97900 -2.24900 -3.13000 C 16.19800 0.53800 1.23900 C 16.28100 1.16100 2.50500 C 16.55200 0.43100 3.66900 C 16.74500 -0.95900 3.58800 C 16.69000 -1.59100 2.33800 C 16.42400 -0.86800 1.15600 H 16.12300 2.24400 2.56600 H 16.61000 0.94500 4.63600 H 16.93700 -1.55000 4.49200 H 16.83200 -2.67500 2.26500 C 14.77500 2.25300 -0.04000 C 14.55400 2.95200 -1.24900 C 15.41100 2.83000 -2.34900 C 16.53900 1.99900 -2.25900 C 16.76700 1.28100 -1.07900 C 15.89700 1.37000 0.03200 H 13.67800 3.59900 -1.33700 H 15.19600 3.38500 -3.27100 H 17.23500 1.90400 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