TITL OT36A in C2/c CELL 0.71073 25.750 15.171 27.537 90.00 95.00 90.00 ZERR 8.00 0.004 0.002 0.005 0.00 0.00 0.00 LATT 7 SYMM -X, Y, .5-Z SFAC C H N O P V UNIT 288 400 48 144 24 24 HKLF 4 MERG 2 OMIT 4 OMIT 2 0 2 OMIT -2 0 2 L.S. 4 BOND 0.5 LIST -1 -1 FMAP 2 PLAN 20 WGHT 0.000800 0 0 0.0000 FVAR 1.49281 0.48246 BLOC 1 V1 6 0.08165 0.65543 0.28045 11.00000 0.04194 0.03153 = 0.03290 0.00104 0.00300 -0.00182 0.00008 0.00013 0.00007 0.00139 0.00131 0.00130 0.00108 0.00107 0.00114 V2 6 -0.08552 0.29720 0.21418 11.00000 0.05087 0.02672 = 0.03667 0.00211 -0.00175 -0.00619 0.00009 0.00013 0.00007 0.00147 0.00128 0.00132 0.00110 0.00112 0.00118 V3 6 0.00557 0.54095 0.38956 11.00000 0.04639 0.02577 = 0.03173 -0.00177 0.00552 0.00067 0.00008 0.00013 0.00007 0.00132 0.00126 0.00116 0.00106 0.00099 0.00110 P4 5 -0.03190 0.37749 0.31535 11.00000 0.04462 0.02952 = 0.03568 0.00295 0.00201 -0.00067 0.00013 0.00022 0.00012 0.00226 0.00208 0.00206 0.00165 0.00170 0.00181 P5 5 -0.02478 0.72033 0.32550 11.00000 0.04957 0.02654 = 0.03353 -0.00270 0.00517 0.00538 0.00014 0.00021 0.00012 0.00236 0.00202 0.00200 0.00170 0.00178 0.00176 P6 5 0.10174 0.48810 0.35726 11.00000 0.04488 0.02859 = 0.03717 -0.00247 -0.00202 0.00143 0.00013 0.00022 0.00012 0.00212 0.00203 0.00195 0.00171 0.00168 0.00177 O1 4 0.13398 0.70273 0.29877 11.00000 0.03918 0.06191 = 0.05209 -0.00176 -0.00557 -0.00784 0.00029 0.00056 0.00027 0.00515 0.00633 0.00544 0.00497 0.00434 0.00488 O11 4 0.11339 0.55558 0.24248 11.00000 0.04438 0.04154 = 0.04503 -0.00469 0.00906 0.00110 0.00028 0.00048 0.00025 0.00499 0.00536 0.00498 0.00435 0.00401 0.00446 AFIX 3 H11A 2 0.13014 0.55966 0.21563 11.00000 10.12000 0.00028 0.00048 0.00025 0.00000 H11B 2 0.08830 0.52016 0.23534 11.00000 10.12000 0.00028 0.00048 0.00025 0.00000 AFIX 0 O12 4 10.00000 0.57593 10.25000 10.50000 0.04870 0.02439 = 0.03829 10.00000 0.00712 10.00000 0.00000 0.00064 0.00000 0.00727 0.00672 0.00665 0.00000 0.00562 0.00000 AFIX 3 H12 2 0.00792 0.54107 0.22250 11.00000 10.12000 0.00000 0.00064 0.00000 0.00000 AFIX 0 O2 4 -0.07608 0.20478 0.23982 11.00000 0.07918 0.04291 = 0.05045 0.01190 0.00518 0.01129 0.00033 0.00054 0.00028 0.00659 0.00574 0.00542 0.00481 0.00493 0.00522 O3 4 -0.02856 0.50854 0.42950 11.00000 0.06017 0.03300 = 0.04813 -0.00485 0.01501 -0.00218 0.00030 0.00049 0.00027 0.00551 0.00532 0.00517 0.00422 0.00448 0.00442 O41 4 -0.05523 0.32483 0.35828 11.00000 0.04255 0.07507 = 0.05595 0.01794 0.01272 -0.01252 0.00030 0.00057 0.00029 0.00547 0.00716 0.00586 0.00534 0.00460 0.00503 O42 4 -0.02329 0.47305 0.33143 11.00000 0.05390 0.03430 = 0.03150 -0.00675 -0.00335 0.00218 0.00029 0.00050 0.00024 0.00528 0.00503 0.00445 0.00424 0.00382 0.00455 O43 4 -0.07126 0.37885 0.27093 11.00000 0.04181 0.02766 = 0.03667 -0.00364 -0.01338 -0.00200 0.00028 0.00047 0.00025 0.00492 0.00489 0.00471 0.00392 0.00397 0.00414 O44 4 0.01782 0.32884 0.30941 11.00000 0.05477 0.03079 = 0.04962 -0.00143 -0.00190 -0.00046 0.00031 0.00049 0.00027 0.00586 0.00518 0.00550 0.00435 0.00448 0.00455 O51 4 -0.03821 0.80207 0.35861 11.00000 0.07415 0.02948 = 0.03403 0.00045 0.01600 0.00532 0.00032 0.00048 0.00026 0.00610 0.00490 0.00466 0.00429 0.00433 0.00472 O52 4 -0.03298 0.64258 0.35925 11.00000 0.04510 0.02431 = 0.03563 0.00615 0.00660 0.00869 0.00028 0.00045 0.00026 0.00501 0.00468 0.00464 0.00399 0.00381 0.00415 O53 4 0.03140 0.72865 0.31464 11.00000 0.04710 0.02485 = 0.04058 0.00305 0.01017 -0.00081 0.00029 0.00046 0.00026 0.00545 0.00478 0.00491 0.00400 0.00410 0.00414 O54 4 -0.06358 0.72017 0.28185 11.00000 0.05577 0.03841 = 0.03130 0.00329 0.00313 0.01107 0.00030 0.00050 0.00025 0.00562 0.00540 0.00468 0.00424 0.00423 0.00454 O61 4 0.15401 0.52552 0.38466 11.00000 0.05492 0.03433 = 0.05355 0.00103 -0.01061 -0.00046 0.00029 0.00052 0.00027 0.00541 0.00519 0.00525 0.00459 0.00436 0.00466 O62 4 0.07442 0.56953 0.33418 11.00000 0.04567 0.03251 = 0.02962 0.00089 -0.00569 0.00358 0.00027 0.00047 0.00024 0.00512 0.00509 0.00438 0.00394 0.00383 0.00424 O63 4 0.11536 0.41990 0.32231 11.00000 0.04452 0.03336 = 0.03126 -0.00073 0.00549 0.00452 0.00027 0.00048 0.00024 0.00503 0.00499 0.00453 0.00406 0.00388 0.00422 O64 4 0.06659 0.45664 0.39535 11.00000 0.04511 0.02820 = 0.03758 -0.00476 0.00609 0.00893 0.00027 0.00047 0.00025 0.00492 0.00494 0.00465 0.00401 0.00387 0.00411 N21 3 -0.10422 0.23972 0.14432 11.00000 0.04690 0.03657 = 0.04006 -0.00779 0.00065 -0.02260 0.00037 0.00064 0.00035 0.00683 0.00691 0.00669 0.00551 0.00550 0.00563 N22 3 -0.08593 0.27002 0.10261 11.00000 0.04976 0.03345 = 0.03911 -0.01679 0.00321 -0.01274 0.00036 0.00062 0.00035 0.00698 0.00666 0.00651 0.00573 0.00554 0.00551 AFIX 3 H22A 2 -0.06684 0.31937 0.10058 11.00000 10.12000 0.00036 0.00062 0.00035 0.00000 AFIX 0 N23 3 -0.16514 0.29655 0.22881 11.00000 0.03965 0.03288 = 0.05187 -0.00095 0.00817 -0.00970 0.00036 0.00069 0.00034 0.00668 0.00655 0.00677 0.00574 0.00556 0.00613 N24 3 -0.19729 0.36700 0.22062 11.00000 0.04851 0.04514 = 0.05680 -0.00004 -0.00167 -0.00170 0.00041 0.00071 0.00035 0.00742 0.00770 0.00740 0.00618 0.00604 0.00664 AFIX 3 H24A 2 -0.18771 0.41767 0.20693 11.00000 10.12000 0.00041 0.00071 0.00035 0.00000 AFIX 0 N31 3 0.05106 0.62886 0.43359 11.00000 0.05253 0.02947 = 0.03030 0.00159 0.00350 0.00409 0.00036 0.00062 0.00031 0.00678 0.00643 0.00586 0.00497 0.00496 0.00553 N32 3 0.07437 0.70337 0.41980 11.00000 0.05994 0.02904 = 0.03298 -0.00444 0.00025 -0.01153 0.00037 0.00063 0.00032 0.00714 0.00631 0.00590 0.00523 0.00521 0.00575 AFIX 3 H32A 2 0.07132 0.72399 0.38904 11.00000 10.12000 0.00037 0.00063 0.00032 0.00000 AFIX 0 C21 1 -0.12810 0.16640 0.13179 11.00000 0.07590 0.02861 = 0.06002 -0.00502 0.00914 -0.01857 0.00052 0.00084 0.00049 0.01063 0.00851 0.01003 0.00754 0.00800 0.00791 AFIX 3 H21B 2 -0.14506 0.13002 0.15416 11.00000 10.12000 0.00052 0.00084 0.00049 0.00000 AFIX 0 C22 1 -0.12633 0.14794 0.08257 11.00000 0.06787 0.06846 = 0.04120 -0.02192 -0.00494 -0.03870 0.00050 0.00095 0.00045 0.00989 0.01099 0.00863 0.00816 0.00738 0.00891 AFIX 3 H22C 2 -0.14095 0.09816 0.06472 11.00000 10.12000 0.00050 0.00095 0.00045 0.00000 AFIX 0 C23 1 -0.10010 0.21673 0.06469 11.00000 0.03683 0.04031 = 0.05682 -0.00329 0.00509 -0.00391 0.00046 0.00087 0.00046 0.00808 0.00872 0.00902 0.00801 0.00690 0.00712 C230 1 -0.08188 0.23426 0.01405 11.00000 0.06312 0.05613 = 0.04702 -0.00682 0.00733 0.00179 0.00056 0.00095 0.00048 0.01023 0.01048 0.00915 0.00796 0.00767 0.00859 C231 1 -0.08362 0.33175 0.00207 11.00000 0.20363 0.07768 = 0.07895 0.00834 0.06296 -0.01012 0.00073 0.00105 0.00055 0.02204 0.01419 0.01285 0.01114 0.01335 0.01433 AFIX 33 H23A 2 -0.06041 0.36302 0.02515 11.00000 10.12000 0.00073 0.00105 0.00055 0.00000 H23B 2 -0.11847 0.35333 0.00362 11.00000 10.12000 0.00073 0.00105 0.00055 0.00000 H23C 2 -0.07308 0.34066 -0.03015 11.00000 10.12000 0.00073 0.00105 0.00055 0.00000 AFIX 0 C232 1 -0.02841 0.20009 0.01203 11.00000 0.11288 0.16646 = 0.08409 0.03604 0.01423 0.04350 0.00065 0.00124 0.00056 0.01563 0.02065 0.01312 0.01369 0.01165 0.01566 AFIX 33 H23D 2 -0.02773 0.13839 0.01966 11.00000 10.12000 0.00065 0.00124 0.00056 0.00000 H23E 2 -0.00513 0.23102 0.03524 11.00000 10.12000 0.00065 0.00124 0.00056 0.00000 H23F 2 -0.01760 0.20864 -0.02013 11.00000 10.12000 0.00065 0.00124 0.00056 0.00000 AFIX 0 C233 1 -0.11913 0.18883 -0.02349 11.00000 0.15183 0.11407 = 0.04622 -0.01180 -0.00062 -0.06506 0.00065 0.00107 0.00047 0.01674 0.01582 0.00971 0.00999 0.01043 0.01369 AFIX 33 H23G 2 -0.11916 0.12667 -0.01714 11.00000 10.12000 0.00065 0.00107 0.00047 0.00000 H23H 2 -0.10824 0.19918 -0.05546 11.00000 10.12000 0.00065 0.00107 0.00047 0.00000 H23I 2 -0.15363 0.21185 -0.02169 11.00000 10.12000 0.00065 0.00107 0.00047 0.00000 AFIX 0 C24 1 -0.19496 0.23940 0.25006 11.00000 0.05775 0.06477 = 0.06135 0.02803 0.00476 -0.03045 0.00059 0.00095 0.00047 0.01038 0.01084 0.00968 0.00844 0.00811 0.00916 AFIX 3 H24B 2 -0.18250 0.18260 0.26115 11.00000 10.12000 0.00059 0.00095 0.00047 0.00000 AFIX 0 C25 1 -0.24408 0.27057 0.25395 11.00000 0.05320 0.06650 = 0.08766 0.02073 0.01004 -0.02404 0.00062 0.00102 0.00054 0.01058 0.01198 0.01169 0.00970 0.00870 0.00908 AFIX 3 H25A 2 -0.27248 0.24037 0.26708 11.00000 10.12000 0.00062 0.00102 0.00054 0.00000 AFIX 0 C26 1 -0.24528 0.35217 0.23493 11.00000 0.05881 0.05188 = 0.06246 -0.00271 0.02585 -0.01109 0.00055 0.00095 0.00049 0.01044 0.01047 0.00989 0.00830 0.00798 0.00846 BLOC 2 C260 1 -0.28720 0.42187 0.22802 11.00000 0.06396 0.05401 = 0.14555 -0.01847 0.01945 0.01293 0.00064 0.00111 0.00076 0.01180 0.01171 0.01716 0.01171 0.01190 0.00967 C261 1 -0.32465 0.39677 0.18725 11.00000 0.16744 0.24029 = 0.32195 -0.08691 -0.08984 0.12662 0.00088 0.00175 0.00091 0.02609 0.03551 0.04137 0.03229 0.02803 0.02578 AFIX 33 H26A 2 -0.30710 0.39250 0.15802 11.00000 10.12000 0.00088 0.00175 0.00091 0.00000 H26B 2 -0.35157 0.44056 0.18301 11.00000 10.12000 0.00088 0.00175 0.00091 0.00000 H26C 2 -0.33984 0.34080 0.19401 11.00000 10.12000 0.00088 0.00175 0.00091 0.00000 AFIX 0 C262 1 -0.26603 0.50724 0.21699 11.00000 0.13106 0.06465 = 0.49272 0.01653 0.09866 0.04153 0.00078 0.00120 0.00098 0.02038 0.01618 0.05226 0.02282 0.02618 0.01549 AFIX 33 H26D 2 -0.24132 0.52521 0.24320 11.00000 10.12000 0.00078 0.00120 0.00098 0.00000 H26E 2 -0.29374 0.54963 0.21303 11.00000 10.12000 0.00078 0.00120 0.00098 0.00000 H26F 2 -0.24898 0.50349 0.18742 11.00000 10.12000 0.00078 0.00120 0.00098 0.00000 AFIX 0 C263 1 -0.31530 0.42725 0.27046 11.00000 0.27649 0.18592 = 0.26941 0.08431 0.21171 0.14430 0.00088 0.00150 0.00083 0.03299 0.02769 0.03172 0.02439 0.02885 0.02523 AFIX 33 H26G 2 -0.29191 0.44362 0.29801 11.00000 10.12000 0.00088 0.00150 0.00083 0.00000 H26H 2 -0.33056 0.37100 0.27644 11.00000 10.12000 0.00088 0.00150 0.00083 0.00000 H26I 2 -0.34229 0.47076 0.26544 11.00000 10.12000 0.00088 0.00150 0.00083 0.00000 AFIX 0 C31 1 0.06642 0.62192 0.48130 11.00000 0.07286 0.05923 = 0.02900 0.00409 -0.00127 -0.01167 0.00049 0.00090 0.00041 0.01030 0.01007 0.00713 0.00730 0.00680 0.00857 AFIX 3 H31A 2 0.05552 0.57491 0.50142 11.00000 10.12000 0.00049 0.00090 0.00041 0.00000 AFIX 0 C32 1 0.09784 0.69002 0.49766 11.00000 0.08373 0.06122 = 0.03849 0.00352 -0.02076 -0.01399 0.00055 0.00094 0.00047 0.01126 0.01049 0.00840 0.00791 0.00788 0.00901 AFIX 3 H32B 2 0.11304 0.69945 0.53032 11.00000 10.12000 0.00055 0.00094 0.00047 0.00000 AFIX 0 C33 1 0.10272 0.74364 0.45690 11.00000 0.04502 0.06099 = 0.04676 -0.02019 0.00484 -0.01566 0.00047 0.00091 0.00046 0.00862 0.00999 0.00850 0.00768 0.00681 0.00769 C330 1 0.13312 0.82700 0.45067 11.00000 0.05852 0.07616 = 0.07408 -0.00584 0.01283 -0.03201 0.00061 0.00108 0.00058 0.01060 0.01267 0.01176 0.00979 0.00902 0.00953 C331 1 0.13153 0.85562 0.39982 11.00000 0.17816 0.13066 = 0.09625 -0.00708 0.01796 -0.10253 0.00071 0.00122 0.00058 0.02081 0.01842 0.01533 0.01384 0.01415 0.01629 AFIX 33 H33A 2 0.09615 0.86740 0.38774 11.00000 10.12000 0.00071 0.00122 0.00058 0.00000 H33B 2 0.14549 0.81002 0.38060 11.00000 10.12000 0.00071 0.00122 0.00058 0.00000 H33C 2 0.15193 0.90823 0.39777 11.00000 10.12000 0.00071 0.00122 0.00058 0.00000 AFIX 0 C332 1 0.11260 0.89767 0.48190 11.00000 0.27346 0.06424 = 0.14129 -0.02498 0.06657 -0.04194 0.00086 0.00112 0.00066 0.02974 0.01397 0.01889 0.01408 0.01904 0.01695 AFIX 33 H33D 2 0.07714 0.91068 0.47058 11.00000 10.12000 0.00086 0.00112 0.00066 0.00000 H33E 2 0.13340 0.94986 0.48005 11.00000 10.12000 0.00086 0.00112 0.00066 0.00000 H33F 2 0.11411 0.87773 0.51507 11.00000 10.12000 0.00086 0.00112 0.00066 0.00000 AFIX 0 C333 1 0.18883 0.80850 0.46963 11.00000 0.14294 0.15029 = 0.22655 0.00672 0.04864 -0.08827 0.00077 0.00133 0.00079 0.02219 0.02292 0.02655 0.01996 0.02037 0.01865 AFIX 33 H33G 2 0.20953 0.86034 0.46626 11.00000 10.12000 0.00077 0.00133 0.00079 0.00000 H33H 2 0.20230 0.76118 0.45129 11.00000 10.12000 0.00077 0.00133 0.00079 0.00000 H33I 2 0.19007 0.79220 0.50339 11.00000 10.12000 0.00077 0.00133 0.00079 0.00000 AFIX 66 C42 1 -0.11863 0.21861 0.36801 11.00000 0.13898 0.09048 = 0.07593 -0.00621 0.01865 -0.05735 0.00054 0.00067 0.00037 0.01812 0.01550 0.01208 0.01092 0.01186 0.01350 C43 1 -0.16958 0.19697 0.37692 11.00000 0.16891 0.18361 = 0.07610 -0.00457 0.01718 -0.12449 0.00054 0.00067 0.00037 0.02371 0.02553 0.01404 0.01500 0.01582 0.02237 C44 1 -0.20614 0.26350 0.38190 11.00000 0.12785 0.28346 = 0.11715 0.01111 0.05207 -0.07731 0.00054 0.00067 0.00037 0.02226 0.04089 0.01929 0.02575 0.01628 0.02560 C45 1 -0.19173 0.35168 0.37796 11.00000 0.08397 0.27922 = 0.12205 0.02731 0.04748 0.03899 0.00054 0.00067 0.00037 0.01718 0.03655 0.01851 0.02153 0.01427 0.01995 C46 1 -0.14078 0.37333 0.36904 11.00000 0.09328 0.10603 = 0.08183 0.00802 0.03156 0.01443 0.00054 0.00067 0.00037 0.01451 0.01563 0.01255 0.01101 0.01070 0.01294 C41 1 -0.10423 0.30679 0.36406 11.00000 0.06432 0.05303 = 0.05259 0.00985 0.01476 0.00021 0.00054 0.00067 0.00037 0.00982 0.00999 0.00874 0.00774 0.00747 0.00871 AFIX 85 H42A 2 -0.09347 0.17283 0.36458 11.00000 10.12000 0.00054 0.00067 0.00037 0.00000 H43A 2 -0.17950 0.13628 0.37964 11.00000 10.12000 0.00054 0.00067 0.00037 0.00000 H44A 2 -0.24120 0.24860 0.38804 11.00000 10.12000 0.00054 0.00067 0.00037 0.00000 H45A 2 -0.21689 0.39747 0.38138 11.00000 10.12000 0.00054 0.00067 0.00037 0.00000 H46A 2 -0.13087 0.43401 0.36633 11.00000 10.12000 0.00054 0.00067 0.00037 0.00000 AFIX 66 C52A 1 0.00324 0.92418 0.31588 -21.00000 0.08399 0.00075 0.00124 0.00057 0.01077 C53A 1 0.01516 1.01385 0.31532 -21.00000 0.10668 0.00075 0.00124 0.00057 0.01284 C54A 1 -0.00282 1.06988 0.35037 -21.00000 0.06977 0.00075 0.00124 0.00057 0.00929 C55A 1 -0.03272 1.03623 0.38597 -21.00000 0.08208 0.00075 0.00124 0.00057 0.01016 C56A 1 -0.04464 0.94656 0.38652 -21.00000 0.05220 0.00075 0.00124 0.00057 0.00778 C51A 1 -0.02666 0.89053 0.35148 -21.00000 0.02596 0.00075 0.00124 0.00057 0.01248 AFIX 85 H52A 2 0.01562 0.88563 0.29176 -21.00000 10.12000 0.00075 0.00124 0.00057 0.00000 H53A 2 0.03574 1.03701 0.29083 -21.00000 10.12000 0.00075 0.00124 0.00057 0.00000 H54A 2 0.00539 1.13159 0.34999 -21.00000 10.12000 0.00075 0.00124 0.00057 0.00000 H55A 2 -0.04510 1.07479 0.41009 -21.00000 10.12000 0.00075 0.00124 0.00057 0.00000 H56A 2 -0.06522 0.92340 0.41102 -21.00000 10.12000 0.00075 0.00124 0.00057 0.00000 AFIX 66 C52B 1 -0.04641 0.92299 0.30112 21.00000 0.08346 0.00081 0.00163 0.00075 0.01132 C53B 1 -0.04025 1.01290 0.29267 21.00000 0.09349 0.00081 0.00163 0.00075 0.01256 C54B 1 -0.02020 1.06782 0.33038 21.00000 0.10857 0.00081 0.00163 0.00075 0.01446 C55B 1 -0.00630 1.03285 0.37654 21.00000 0.13932 0.00081 0.00163 0.00075 0.01669 C56B 1 -0.01246 0.94294 0.38499 21.00000 0.07787 0.00081 0.00163 0.00075 0.01067 C51B 1 -0.03252 0.88801 0.34728 21.00000 0.07497 0.00081 0.00163 0.00075 0.02343 AFIX 85 H52B 2 -0.06021 0.88519 0.27516 21.00000 10.12000 0.00081 0.00163 0.00075 0.00000 H53B 2 -0.04981 1.03697 0.26090 21.00000 10.12000 0.00081 0.00163 0.00075 0.00000 H54B 2 -0.01596 1.12969 0.32457 21.00000 10.12000 0.00081 0.00163 0.00075 0.00000 H55B 2 0.00750 1.07064 0.40249 21.00000 10.12000 0.00081 0.00163 0.00075 0.00000 H56B 2 -0.00290 0.91887 0.41675 21.00000 10.12000 0.00081 0.00163 0.00075 0.00000 AFIX 66 C62 1 0.20094 0.39493 0.41328 11.00000 0.08447 0.05337 = 0.06396 -0.00198 -0.00712 0.02863 0.00037 0.00059 0.00028 0.01151 0.01049 0.01023 0.00862 0.00883 0.00902 C63 1 0.23114 0.35176 0.45051 11.00000 0.11253 0.08388 = 0.07963 -0.01230 -0.02693 0.03778 0.00037 0.00059 0.00028 0.01468 0.01372 0.01255 0.01126 0.01094 0.01192 C64 1 0.24366 0.39411 0.49496 11.00000 0.08793 0.06592 = 0.11839 0.02118 -0.03880 0.01411 0.00037 0.00059 0.00028 0.01272 0.01230 0.01624 0.01189 0.01131 0.01095 C65 1 0.22597 0.47963 0.50218 11.00000 0.13281 0.12454 = 0.05716 -0.00481 -0.06161 -0.01874 0.00037 0.00059 0.00028 0.01623 0.01759 0.01054 0.01181 0.01074 0.01418 C66 1 0.19578 0.52280 0.46494 11.00000 0.09542 0.06549 = 0.07932 -0.02239 -0.03237 0.00619 0.00037 0.00059 0.00028 0.01225 0.01124 0.01110 0.01002 0.00968 0.01006 C61 1 0.18326 0.48045 0.42049 11.00000 0.02531 0.04155 = 0.05957 -0.00522 -0.00048 0.00207 0.00037 0.00059 0.00028 0.00679 0.00841 0.00861 0.00741 0.00614 0.00675 AFIX 85 H62A 2 0.19233 0.36579 0.38269 11.00000 10.12000 0.00037 0.00059 0.00028 0.00000 H63A 2 0.24331 0.29290 0.44555 11.00000 10.12000 0.00037 0.00059 0.00028 0.00000 H64A 2 0.26444 0.36439 0.52059 11.00000 10.12000 0.00037 0.00059 0.00028 0.00000 H65A 2 0.23459 0.50877 0.53277 11.00000 10.12000 0.00037 0.00059 0.00028 0.00000 H66A 2 0.18361 0.58166 0.46991 11.00000 10.12000 0.00037 0.00059 0.00028 0.00000 AFIX 0 O01 4 0.13717 0.59268 0.15179 11.00000 0.06751 0.09817 = 0.06294 -0.00860 0.01791 -0.01574 0.00038 0.00072 0.00033 0.00732 0.00871 0.00652 0.00616 0.00553 0.00635 AFIX 3 H01D 2 0.11830 0.53932 0.12057 11.00000 10.12000 0.00038 0.00072 0.00033 0.00000 AFIX 0 C01B 1 0.17101 0.64285 0.14097 11.00000 0.07369 0.37099 = 0.37120 0.22375 0.00845 -0.03592 0.00082 0.00215 0.00112 0.01937 0.05160 0.04600 0.04025 0.02374 0.02604 AFIX 23 H01A 2 0.15700 0.66433 0.10975 11.00000 10.12000 0.00082 0.00215 0.00112 0.00000 H01B 2 0.16948 0.68864 0.16486 11.00000 10.12000 0.00082 0.00215 0.00112 0.00000 AFIX 0 C02B 1 0.21811 0.63893 0.13587 11.00000 0.18044 0.38657 = 0.17551 -0.05299 0.08837 -0.16249 0.00086 0.00194 0.00082 0.02868 0.04746 0.02540 0.02675 0.02210 0.03249 AFIX 33 H02A 2 0.23028 0.69570 0.12668 11.00000 10.12000 0.00086 0.00194 0.00082 0.00000 H02B 2 0.22410 0.59688 0.11094 11.00000 10.12000 0.00086 0.00194 0.00082 0.00000 H02C 2 0.23658 0.62119 0.16605 11.00000 10.12000 0.00086 0.00194 0.00082 0.00000 END O1 ---V1 1.571 ( 0.008 ) O11 ---V1 2.051 ( 0.008 ) O1 -V1 -O11 97.6 ( 0.4 ) O53 ---V1 2.002 ( 0.008 ) O1 -V1 -O53 99.6 ( 0.4 ) O11 -V1 -O53 162.3 ( 0.3 ) O62 ---V1 1.993 ( 0.007 ) O1 -V1 -O62 101.1 ( 0.4 ) O11 -V1 -O62 87.9 ( 0.3 ) O53 -V1 -O62 84.7 ( 0.3 ) O54A---V1 1.996 ( 0.007 ) O1 -V1 -O54A 100.4 ( 0.4 ) O11 -V1 -O54A 89.9 ( 0.3 ) O53 -V1 -O54A 91.1 ( 0.3 ) O62 -V1 -O54A 158.5 ( 0.3 ) O2 ---V2 1.579 ( 0.008 ) O43 ---V2 2.003 ( 0.007 ) O2 -V2 -O43 100.9 ( 0.4 ) N21 ---V2 2.129 ( 0.010 ) O2 -V2 -N21 93.1 ( 0.4 ) O43 -V2 -N21 166.0 ( 0.3 ) N23 ---V2 2.124 ( 0.010 ) O2 -V2 -N23 91.4 ( 0.4 ) O43 -V2 -N23 88.2 ( 0.3 ) N21 -V2 -N23 91.3 ( 0.4 ) O44A---V2 1.972 ( 0.008 ) O2 -V2 -O44A 104.9 ( 0.4 ) O43 -V2 -O44A 90.0 ( 0.3 ) N21 -V2 -O44A 86.5 ( 0.4 ) N23 -V2 -O44A 163.6 ( 0.4 ) O63A---V2 2.220 ( 0.007 ) O2 -V2 -O63A 168.6 ( 0.4 ) O43 -V2 -O63A 82.4 ( 0.3 ) N21 -V2 -O63A 83.8 ( 0.3 ) N23 -V2 -O63A 77.8 ( 0.3 ) O44A-V2 -O63A 85.9 ( 0.3 ) P6 ---V3 2.820 ( 0.004 ) O3 ---V3 1.547 ( 0.008 ) P6 -V3 -O3 134.7 ( 0.3 ) O42 ---V3 1.992 ( 0.007 ) P6 -V3 -O42 82.9 ( 0.2 ) O3 -V3 -O42 102.2 ( 0.4 ) O52 ---V3 1.978 ( 0.007 ) P6 -V3 -O52 120.7 ( 0.2 ) O3 -V3 -O52 104.6 ( 0.4 ) O42 -V3 -O52 85.7 ( 0.3 ) O64 ---V3 2.022 ( 0.007 ) P6 -V3 -O64 31.5 ( 0.2 ) O3 -V3 -O64 103.2 ( 0.4 ) O42 -V3 -O64 88.2 ( 0.3 ) O52 -V3 -O64 152.2 ( 0.3 ) N31 ---V3 2.091 ( 0.009 ) P6 -V3 -N31 84.3 ( 0.3 ) O3 -V3 -N31 96.6 ( 0.4 ) O42 -V3 -N31 161.2 ( 0.3 ) O52 -V3 -N31 89.0 ( 0.3 ) O64 -V3 -N31 88.0 ( 0.3 ) O41 ---P4 1.588 ( 0.009 ) O42 ---P4 1.526 ( 0.008 ) O41 -P4 -O42 108.5 ( 0.5 ) O43 ---P4 1.519 ( 0.007 ) O41 -P4 -O43 109.7 ( 0.4 ) O42 -P4 -O43 106.9 ( 0.4 ) O44 ---P4 1.499 ( 0.009 ) O41 -P4 -O44 102.5 ( 0.5 ) O42 -P4 -O44 113.3 ( 0.5 ) O43 -P4 -O44 115.8 ( 0.4 ) O51 ---P5 1.595 ( 0.008 ) O52 ---P5 1.528 ( 0.008 ) O51 -P5 -O52 101.8 ( 0.4 ) O53 ---P5 1.508 ( 0.008 ) O51 -P5 -O53 107.9 ( 0.4 ) O52 -P5 -O53 111.8 ( 0.4 ) O54 ---P5 1.495 ( 0.008 ) O51 -P5 -O54 107.3 ( 0.4 ) O52 -P5 -O54 111.7 ( 0.4 ) O53 -P5 -O54 115.2 ( 0.4 ) V3 ---P6 2.820 ( 0.004 ) O61 ---P6 1.589 ( 0.008 ) V3 -P6 -O61 118.6 ( 0.3 ) O62 ---P6 1.532 ( 0.008 ) V3 -P6 -O62 61.1 ( 0.3 ) O61 -P6 -O62 104.4 ( 0.4 ) O63 ---P6 1.476 ( 0.008 ) V3 -P6 -O63 132.1 ( 0.3 ) O61 -P6 -O63 108.7 ( 0.4 ) O62 -P6 -O63 114.9 ( 0.4 ) O64 ---P6 1.521 ( 0.008 ) V3 -P6 -O64 43.9 ( 0.3 ) O61 -P6 -O64 108.4 ( 0.4 ) O62 -P6 -O64 105.1 ( 0.4 ) O63 -P6 -O64 114.8 ( 0.4 ) V1 ---O1 1.571 ( 0.008 ) V1 ---O11 2.051 ( 0.008 ) H11A---O11 0.890 ( 0.000 ) V1 -O11 -H11A 128.0 ( 0.2 ) H11B---O11 0.850 ( 0.000 ) V1 -O11 -H11B 104.8 ( 0.2 ) H11A-O11 -H11B 105.4 ( 0.0 ) O11 ---H11A 0.890 ( 0.000 ) O11 ---H11B 0.850 ( 0.000 ) H12 ---O12 0.960 ( 0.000 ) H12A---O12 0.960 ( 0.000 ) H12 -O12 -H12A 113.1 ( 0.0 ) O12 ---H12 0.960 ( 0.000 ) V2 ---O2 1.579 ( 0.008 ) V3 ---O3 1.547 ( 0.008 ) P4 ---O41 1.588 ( 0.009 ) C41 ---O41 1.314 ( 0.016 ) P4 -O41 -C41 128.7 ( 0.7 ) V3 ---O42 1.992 ( 0.007 ) P4 ---O42 1.526 ( 0.008 ) V3 -O42 -P4 139.4 ( 0.5 ) V2 ---O43 2.003 ( 0.007 ) P4 ---O43 1.519 ( 0.007 ) V2 -O43 -P4 133.2 ( 0.5 ) P4 ---O44 1.499 ( 0.009 ) V2 A---O44 1.972 ( 0.008 ) P4 -O44 -V2 A 160.7 ( 0.5 ) P5 ---O51 1.595 ( 0.008 ) C51A---O51 1.392 ( 0.020 ) P5 -O51 -C51A 127.5 ( 0.9 ) C51B---O51 1.352 ( 0.026 ) P5 -O51 -C51B 125.8 ( 1.1 ) C51A-O51 -C51B 7.6 ( 1.1 ) V3 ---O52 1.978 ( 0.007 ) P5 ---O52 1.528 ( 0.008 ) V3 -O52 -P5 140.1 ( 0.5 ) V1 ---O53 2.002 ( 0.008 ) P5 ---O53 1.508 ( 0.008 ) V1 -O53 -P5 135.9 ( 0.5 ) P5 ---O54 1.495 ( 0.008 ) V1 A---O54 1.996 ( 0.007 ) P5 -O54 -V1 A 141.4 ( 0.5 ) P6 ---O61 1.589 ( 0.008 ) C61 ---O61 1.371 ( 0.011 ) P6 -O61 -C61 123.6 ( 0.7 ) V1 ---O62 1.993 ( 0.007 ) P6 ---O62 1.532 ( 0.008 ) V1 -O62 -P6 140.0 ( 0.5 ) P6 ---O63 1.476 ( 0.008 ) V2 A---O63 2.220 ( 0.007 ) P6 -O63 -V2 A 142.2 ( 0.5 ) V3 ---O64 2.022 ( 0.007 ) P6 ---O64 1.521 ( 0.008 ) V3 -O64 -P6 104.6 ( 0.4 ) V2 ---N21 2.129 ( 0.010 ) N22 ---N21 1.359 ( 0.014 ) V2 -N21 -N22 123.9 ( 0.7 ) C21 ---N21 1.303 ( 0.016 ) V2 -N21 -C21 130.8 ( 0.9 ) N22 -N21 -C21 104.8 ( 1.0 ) N21 ---N22 1.359 ( 0.014 ) H22A---N22 0.900 ( 0.000 ) N21 -N22 -H22A 124.4 ( 0.6 ) C23 ---N22 1.346 ( 0.016 ) N21 -N22 -C23 111.2 ( 1.0 ) H22A-N22 -C23 124.3 ( 0.7 ) N22 ---H22A 0.900 ( 0.000 ) V2 ---N23 2.124 ( 0.010 ) N24 ---N23 1.359 ( 0.015 ) V2 -N23 -N24 123.3 ( 0.8 ) C24 ---N23 1.327 ( 0.018 ) V2 -N23 -C24 133.8 ( 0.9 ) N24 -N23 -C24 102.7 ( 1.0 ) N23 ---N24 1.359 ( 0.015 ) H24A---N24 0.900 ( 0.000 ) N23 -N24 -H24A 123.8 ( 0.6 ) C26 ---N24 1.348 ( 0.018 ) N23 -N24 -C26 112.4 ( 1.1 ) H24A-N24 -C26 123.8 ( 0.8 ) N24 ---H24A 0.900 ( 0.000 ) V3 ---N31 2.091 ( 0.009 ) N32 ---N31 1.350 ( 0.013 ) V3 -N31 -N32 127.7 ( 0.6 ) C31 ---N31 1.343 ( 0.014 ) V3 -N31 -C31 128.3 ( 0.8 ) N32 -N31 -C31 103.9 ( 0.9 ) N31 ---N32 1.350 ( 0.013 ) H32A---N32 0.900 ( 0.000 ) N31 -N32 -H32A 123.5 ( 0.5 ) C33 ---N32 1.349 ( 0.015 ) N31 -N32 -C33 113.0 ( 0.9 ) H32A-N32 -C33 123.5 ( 0.7 ) N32 ---H32A 0.900 ( 0.000 ) N21 ---C21 1.303 ( 0.016 ) H21B---C21 0.960 ( 0.000 ) N21 -C21 -H21B 123.5 ( 0.7 ) C22 ---C21 1.389 ( 0.018 ) N21 -C21 -C22 112.1 ( 1.2 ) H21B-C21 -C22 124.5 ( 0.8 ) C21 ---H21B 0.960 ( 0.000 ) C21 ---C22 1.389 ( 0.018 ) H22C---C22 0.960 ( 0.000 ) C21 -C22 -H22C 127.9 ( 0.8 ) C23 ---C22 1.359 ( 0.019 ) C21 -C22 -C23 105.0 ( 1.2 ) H22C-C22 -C23 127.2 ( 0.8 ) C22 ---H22C 0.960 ( 0.000 ) N22 ---C23 1.346 ( 0.016 ) C22 ---C23 1.359 ( 0.019 ) N22 -C23 -C22 106.9 ( 1.1 ) C230---C23 1.533 ( 0.019 ) N22 -C23 -C230 121.2 ( 1.1 ) C22 -C23 -C230 131.6 ( 1.2 ) C23 ---C230 1.533 ( 0.019 ) C231---C230 1.515 ( 0.021 ) C23 -C230-C231 111.2 ( 1.2 ) C232---C230 1.477 ( 0.022 ) C23 -C230-C232 109.5 ( 1.1 ) C231-C230-C232 110.2 ( 1.4 ) C233---C230 1.514 ( 0.020 ) C23 -C230-C233 108.4 ( 1.2 ) C231-C230-C233 106.9 ( 1.2 ) C232-C230-C233 110.6 ( 1.3 ) C230---C231 1.515 ( 0.021 ) H23A---C231 0.959 ( 0.000 ) C230-C231-H23A 109.5 ( 0.8 ) H23B---C231 0.960 ( 0.000 ) C230-C231-H23B 109.5 ( 0.9 ) H23A-C231-H23B 109.4 ( 0.0 ) H23C---C231 0.960 ( 0.000 ) C230-C231-H23C 109.5 ( 0.8 ) H23A-C231-H23C 109.4 ( 0.0 ) H23B-C231-H23C 109.5 ( 0.0 ) C231---H23A 0.959 ( 0.000 ) C231---H23B 0.960 ( 0.000 ) C231---H23C 0.960 ( 0.000 ) C230---C232 1.477 ( 0.022 ) H23D---C232 0.959 ( 0.000 ) C230-C232-H23D 109.5 ( 0.9 ) H23E---C232 0.960 ( 0.000 ) C230-C232-H23E 109.5 ( 0.8 ) H23D-C232-H23E 109.4 ( 0.0 ) H23F---C232 0.960 ( 0.000 ) C230-C232-H23F 109.5 ( 0.8 ) H23D-C232-H23F 109.4 ( 0.0 ) H23E-C232-H23F 109.5 ( 0.0 ) C232---H23D 0.959 ( 0.000 ) C232---H23E 0.960 ( 0.000 ) C232---H23F 0.960 ( 0.000 ) C230---C233 1.514 ( 0.020 ) H23G---C233 0.959 ( 0.000 ) C230-C233-H23G 109.5 ( 0.8 ) H23H---C233 0.960 ( 0.000 ) C230-C233-H23H 109.5 ( 0.8 ) H23G-C233-H23H 109.4 ( 0.0 ) H23I---C233 0.960 ( 0.000 ) C230-C233-H23I 109.5 ( 0.8 ) H23G-C233-H23I 109.4 ( 0.0 ) H23H-C233-H23I 109.5 ( 0.0 ) C233---H23G 0.959 ( 0.000 ) C233---H23H 0.960 ( 0.000 ) C233---H23I 0.960 ( 0.000 ) N23 ---C24 1.327 ( 0.018 ) H24B---C24 0.960 ( 0.000 ) N23 -C24 -H24B 122.4 ( 0.8 ) C25 ---C24 1.363 ( 0.022 ) N23 -C24 -C25 112.6 ( 1.3 ) H24B-C24 -C25 125.0 ( 0.9 ) C24 ---H24B 0.960 ( 0.000 ) C24 ---C25 1.363 ( 0.022 ) H25A---C25 0.960 ( 0.000 ) C24 -C25 -H25A 127.3 ( 0.9 ) C26 ---C25 1.344 ( 0.021 ) C24 -C25 -C26 106.2 ( 1.4 ) H25A-C25 -C26 126.5 ( 0.9 ) C25 ---H25A 0.960 ( 0.000 ) N24 ---C26 1.348 ( 0.018 ) C25 ---C26 1.344 ( 0.021 ) N24 -C26 -C25 106.1 ( 1.3 ) C260---C26 1.511 ( 0.022 ) N24 -C26 -C260 120.6 ( 1.3 ) C25 -C26 -C260 133.3 ( 1.4 ) C26 ---C260 1.511 ( 0.022 ) C261---C260 1.465 ( 0.030 ) C26 -C260-C261 109.3 ( 1.6 ) C262---C260 1.448 ( 0.026 ) C26 -C260-C262 112.0 ( 1.4 ) C261-C260-C262 107.9 ( 1.9 ) C263---C260 1.430 ( 0.031 ) C26 -C260-C263 110.1 ( 1.6 ) C261-C260-C263 107.2 ( 1.7 ) C262-C260-C263 110.3 ( 1.8 ) C260---C261 1.465 ( 0.030 ) H26A---C261 0.959 ( 0.000 ) C260-C261-H26A 109.5 ( 1.2 ) H26B---C261 0.960 ( 0.000 ) C260-C261-H26B 109.5 ( 1.2 ) H26A-C261-H26B 109.4 ( 0.0 ) H26C---C261 0.960 ( 0.000 ) C260-C261-H26C 109.5 ( 1.2 ) H26A-C261-H26C 109.4 ( 0.0 ) H26B-C261-H26C 109.5 ( 0.0 ) C261---H26A 0.959 ( 0.000 ) C261---H26B 0.960 ( 0.000 ) C261---H26C 0.960 ( 0.000 ) C260---C262 1.448 ( 0.026 ) H26D---C262 0.959 ( 0.000 ) C260-C262-H26D 109.5 ( 1.2 ) H26E---C262 0.960 ( 0.000 ) C260-C262-H26E 109.5 ( 1.0 ) H26D-C262-H26E 109.4 ( 0.0 ) H26F---C262 0.960 ( 0.000 ) C260-C262-H26F 109.5 ( 1.3 ) H26D-C262-H26F 109.4 ( 0.0 ) H26E-C262-H26F 109.5 ( 0.0 ) C262---H26D 0.959 ( 0.000 ) C262---H26E 0.960 ( 0.000 ) C262---H26F 0.960 ( 0.000 ) C260---C263 1.430 ( 0.031 ) H26G---C263 0.959 ( 0.000 ) C260-C263-H26G 109.5 ( 1.1 ) H26H---C263 0.960 ( 0.000 ) C260-C263-H26H 109.5 ( 1.1 ) H26G-C263-H26H 109.4 ( 0.0 ) H26I---C263 0.960 ( 0.000 ) C260-C263-H26I 109.5 ( 1.1 ) H26G-C263-H26I 109.4 ( 0.0 ) H26H-C263-H26I 109.5 ( 0.0 ) C263---H26G 0.959 ( 0.000 ) C263---H26H 0.960 ( 0.000 ) C263---H26I 0.960 ( 0.000 ) N31 ---C31 1.343 ( 0.014 ) H31A---C31 0.960 ( 0.000 ) N31 -C31 -H31A 123.2 ( 0.7 ) C32 ---C31 1.364 ( 0.019 ) N31 -C31 -C32 112.3 ( 1.1 ) H31A-C31 -C32 124.5 ( 0.7 ) C31 ---H31A 0.960 ( 0.000 ) C31 ---C32 1.364 ( 0.019 ) H32B---C32 0.960 ( 0.000 ) C31 -C32 -H32B 127.2 ( 0.7 ) C33 ---C32 1.401 ( 0.019 ) C31 -C32 -C33 105.5 ( 1.1 ) H32B-C32 -C33 127.3 ( 0.8 ) C32 ---H32B 0.960 ( 0.000 ) N32 ---C33 1.349 ( 0.015 ) C32 ---C33 1.401 ( 0.019 ) N32 -C33 -C32 105.3 ( 1.1 ) C330---C33 1.505 ( 0.021 ) N32 -C33 -C330 123.1 ( 1.2 ) C32 -C33 -C330 131.6 ( 1.2 ) C33 ---C330 1.505 ( 0.021 ) C331---C330 1.463 ( 0.023 ) C33 -C330-C331 112.8 ( 1.3 ) C332---C330 1.499 ( 0.025 ) C33 -C330-C332 108.8 ( 1.4 ) C331-C330-C332 110.8 ( 1.4 ) C333---C330 1.510 ( 0.025 ) C33 -C330-C333 107.0 ( 1.3 ) C331-C330-C333 109.4 ( 1.5 ) C332-C330-C333 107.8 ( 1.5 ) C330---C331 1.463 ( 0.023 ) H33A---C331 0.959 ( 0.000 ) C330-C331-H33A 109.5 ( 0.9 ) H33B---C331 0.960 ( 0.000 ) C330-C331-H33B 109.5 ( 1.0 ) H33A-C331-H33B 109.4 ( 0.0 ) H33C---C331 0.960 ( 0.000 ) C330-C331-H33C 109.5 ( 0.9 ) H33A-C331-H33C 109.4 ( 0.0 ) H33B-C331-H33C 109.5 ( 0.0 ) C331---H33A 0.959 ( 0.000 ) C331---H33B 0.960 ( 0.000 ) C331---H33C 0.960 ( 0.000 ) C330---C332 1.499 ( 0.025 ) H33D---C332 0.959 ( 0.000 ) C330-C332-H33D 109.5 ( 1.0 ) H33E---C332 0.960 ( 0.000 ) C330-C332-H33E 109.5 ( 1.0 ) H33D-C332-H33E 109.4 ( 0.0 ) H33F---C332 0.960 ( 0.000 ) C330-C332-H33F 109.5 ( 0.9 ) H33D-C332-H33F 109.4 ( 0.0 ) H33E-C332-H33F 109.5 ( 0.0 ) C332---H33D 0.959 ( 0.000 ) C332---H33E 0.960 ( 0.000 ) C332---H33F 0.960 ( 0.000 ) C330---C333 1.510 ( 0.025 ) H33G---C333 0.959 ( 0.000 ) C330-C333-H33G 109.5 ( 1.0 ) H33H---C333 0.960 ( 0.000 ) C330-C333-H33H 109.5 ( 1.0 ) H33G-C333-H33H 109.4 ( 0.0 ) H33I---C333 0.960 ( 0.000 ) C330-C333-H33I 109.5 ( 1.0 ) H33G-C333-H33I 109.4 ( 0.0 ) H33H-C333-H33I 109.5 ( 0.0 ) C333---H33G 0.959 ( 0.000 ) C333---H33H 0.960 ( 0.000 ) C333---H33I 0.960 ( 0.000 ) C43 ---C42 1.395 ( 0.000 ) C41 ---C42 1.395 ( 0.000 ) C43 -C42 -C41 120.0 ( 0.0 ) H42A---C42 0.960 ( 0.000 ) C43 -C42 -H42A 120.0 ( 0.0 ) C41 -C42 -H42A 120.0 ( 0.0 ) C42 ---C43 1.395 ( 0.000 ) C44 ---C43 1.395 ( 0.000 ) C42 -C43 -C44 120.0 ( 0.0 ) H43A---C43 0.960 ( 0.000 ) C42 -C43 -H43A 120.0 ( 0.0 ) C44 -C43 -H43A 120.0 ( 0.0 ) C43 ---C44 1.395 ( 0.000 ) C45 ---C44 1.395 ( 0.000 ) C43 -C44 -C45 120.0 ( 0.0 ) H44A---C44 0.960 ( 0.000 ) C43 -C44 -H44A 120.0 ( 0.0 ) C45 -C44 -H44A 120.0 ( 0.0 ) C44 ---C45 1.395 ( 0.000 ) C46 ---C45 1.395 ( 0.000 ) C44 -C45 -C46 120.0 ( 0.0 ) H45A---C45 0.960 ( 0.000 ) C44 -C45 -H45A 120.0 ( 0.0 ) C46 -C45 -H45A 120.0 ( 0.0 ) C45 ---C46 1.395 ( 0.000 ) C41 ---C46 1.395 ( 0.000 ) C45 -C46 -C41 120.0 ( 0.0 ) H46A---C46 0.960 ( 0.000 ) C45 -C46 -H46A 120.0 ( 0.0 ) C41 -C46 -H46A 120.0 ( 0.0 ) O41 ---C41 1.314 ( 0.016 ) C42 ---C41 1.395 ( 0.000 ) O41 -C41 -C42 118.3 ( 0.6 ) C46 ---C41 1.395 ( 0.000 ) O41 -C41 -C46 121.6 ( 0.6 ) C42 -C41 -C46 120.0 ( 0.0 ) C42 ---H42A 0.960 ( 0.000 ) C43 ---H43A 0.960 ( 0.000 ) C44 ---H44A 0.960 ( 0.000 ) C45 ---H45A 0.960 ( 0.000 ) C46 ---H46A 0.960 ( 0.000 ) C53A---C52A 1.395 ( 0.000 ) C51A---C52A 1.395 ( 0.000 ) C53A-C52A-C51A 120.0 ( 0.0 ) H52A---C52A 0.960 ( 0.000 ) C53A-C52A-H52A 120.0 ( 0.0 ) C51A-C52A-H52A 120.0 ( 0.0 ) C52B---C52A 1.308 ( 0.028 ) C53A-C52A-C52B 102.7 ( 1.4 ) C51A-C52A-C52B 68.2 ( 1.2 ) H52A-C52A-C52B 98.7 ( 1.2 ) C53B---C52A 1.830 ( 0.029 ) C53A-C52A-C53B 53.7 ( 0.9 ) C51A-C52A-C53B 99.0 ( 0.9 ) H52A-C52A-C53B 115.9 ( 0.8 ) C52B-C52A-C53B 49.4 ( 1.0 ) C56B---C52A 2.000 ( 0.027 ) C53A-C52A-C56B 86.2 ( 0.9 ) C51A-C52A-C56B 38.2 ( 0.9 ) H52A-C52A-C56B 148.4 ( 0.9 ) C52B-C52A-C56B 91.4 ( 1.5 ) C53B-C52A-C56B 93.4 ( 1.3 ) C51B---C52A 1.427 ( 0.029 ) C53A-C52A-C51B 122.4 ( 1.2 ) C51A-C52A-C51B 7.4 ( 1.0 ) H52A-C52A-C51B 117.1 ( 1.2 ) C52B-C52A-C51B 61.2 ( 1.2 ) C53B-C52A-C51B 95.0 ( 1.5 ) C56B-C52A-C51B 44.2 ( 0.8 ) C52A---C53A 1.395 ( 0.000 ) C54A---C53A 1.395 ( 0.000 ) C52A-C53A-C54A 120.0 ( 0.0 ) H53A---C53A 0.960 ( 0.000 ) C52A-C53A-H53A 120.0 ( 0.0 ) C54A-C53A-H53A 120.0 ( 0.0 ) C53B---C53A 1.507 ( 0.027 ) C52A-C53A-C53B 78.1 ( 1.2 ) C54A-C53A-C53B 86.1 ( 1.1 ) H53A-C53A-C53B 105.9 ( 1.1 ) C54B---C53A 1.318 ( 0.030 ) C52A-C53A-C54B 116.3 ( 1.3 ) C54A-C53A-C54B 28.8 ( 1.1 ) H53A-C53A-C54B 115.6 ( 1.3 ) C53B-C53A-C54B 58.7 ( 1.1 ) C55B---C53A 1.842 ( 0.027 ) C52A-C53A-C55B 93.4 ( 1.0 ) C54A-C53A-C55B 29.2 ( 1.0 ) H53A-C53A-C55B 144.5 ( 0.9 ) C53B-C53A-C55B 91.8 ( 1.4 ) C54B-C53A-C55B 49.0 ( 0.9 ) C53A---C54A 1.395 ( 0.000 ) C55A---C54A 1.395 ( 0.000 ) C53A-C54A-C55A 120.0 ( 0.0 ) H54A---C54A 0.960 ( 0.000 ) C53A-C54A-H54A 120.0 ( 0.0 ) C55A-C54A-H54A 120.0 ( 0.0 ) C53B---C54A 1.983 ( 0.027 ) C53A-C54A-C53B 49.3 ( 0.8 ) C55A-C54A-C53B 98.3 ( 0.8 ) H54A-C54A-C53B 120.6 ( 0.9 ) C54B---C54A 0.679 ( 0.026 ) C53A-C54A-C54B 69.3 ( 2.5 ) C55A-C54A-C54B 100.8 ( 2.4 ) H54A-C54A-C54B 99.6 ( 2.6 ) C53B-C54A-C54B 24.6 ( 1.8 ) C55B---C54A 0.924 ( 0.028 ) C53A-C54A-C55B 103.3 ( 1.8 ) C55A-C54A-C55B 29.8 ( 1.8 ) H54A-C54A-C55B 129.6 ( 1.8 ) C53B-C54A-C55B 106.6 ( 2.2 ) C54B-C54A-C55B 120.1 ( 3.8 ) H54B---C54A 1.184 ( 0.029 ) C53A-C54A-H54B 98.4 ( 1.4 ) C55A-C54A-H54B 123.8 ( 1.4 ) H54A-C54A-H54B 45.4 ( 1.4 ) C53B-C54A-H54B 76.1 ( 1.3 ) C54B-C54A-H54B 54.2 ( 2.0 ) C55B-C54A-H54B 153.1 ( 3.1 ) H55B---C54A 1.437 ( 0.026 ) C53A-C54A-H55B 130.7 ( 1.2 ) C55A-C54A-H55B 50.7 ( 1.2 ) H54A-C54A-H55B 88.9 ( 1.2 ) C53B-C54A-H55B 147.0 ( 2.0 ) C54B-C54A-H55B 149.5 ( 3.5 ) C55B-C54A-H55B 41.2 ( 1.1 ) H54B-C54A-H55B 127.7 ( 2.4 ) C54A---C55A 1.395 ( 0.000 ) C56A---C55A 1.395 ( 0.000 ) C54A-C55A-C56A 120.0 ( 0.0 ) H55A---C55A 0.960 ( 0.000 ) C54A-C55A-H55A 120.0 ( 0.0 ) C56A-C55A-H55A 120.0 ( 0.0 ) C54B---C55A 1.662 ( 0.027 ) C54A-C55A-C54B 23.7 ( 1.0 ) C56A-C55A-C54B 110.6 ( 1.1 ) H55A-C55A-C54B 124.3 ( 1.1 ) C55B---C55A 0.751 ( 0.029 ) C54A-C55A-C55B 37.8 ( 2.2 ) C56A-C55A-C55B 98.3 ( 2.4 ) H55A-C55A-C55B 130.3 ( 2.2 ) C54B-C55A-C55B 56.4 ( 1.7 ) C56B---C55A 1.509 ( 0.031 ) C54A-C55A-C56B 96.8 ( 1.1 ) C56A-C55A-C56B 33.1 ( 1.1 ) H55A-C55A-C56B 136.0 ( 1.0 ) C54B-C55A-C56B 99.1 ( 1.6 ) C55B-C55A-C56B 66.7 ( 2.2 ) H55B---C55A 1.212 ( 0.028 ) C54A-C55A-H55B 66.5 ( 1.3 ) C56A-C55A-H55B 126.7 ( 1.4 ) H55A-C55A-H55B 78.6 ( 1.4 ) C54B-C55A-H55B 89.6 ( 1.7 ) C55B-C55A-H55B 52.3 ( 1.7 ) C56B-C55A-H55B 97.2 ( 1.8 ) C55A---C56A 1.395 ( 0.000 ) C51A---C56A 1.395 ( 0.000 ) C55A-C56A-C51A 120.0 ( 0.0 ) H56A---C56A 0.960 ( 0.000 ) C55A-C56A-H56A 120.0 ( 0.0 ) C51A-C56A-H56A 120.0 ( 0.0 ) C55B---C56A 1.677 ( 0.030 ) C55A-C56A-C55B 26.3 ( 1.0 ) C51A-C56A-C55B 97.3 ( 1.0 ) H56A-C56A-C55B 140.3 ( 0.9 ) C56B---C56A 0.835 ( 0.029 ) C55A-C56A-C56B 81.0 ( 2.1 ) C51A-C56A-C56B 62.3 ( 1.9 ) H56A-C56A-C56B 128.5 ( 1.9 ) C55B-C56A-C56B 56.1 ( 1.7 ) C51B---C56A 1.454 ( 0.029 ) C55A-C56A-C51B 121.7 ( 1.2 ) C51A-C56A-C51B 7.1 ( 1.1 ) H56A-C56A-C51B 117.8 ( 1.2 ) C55B-C56A-C51B 100.8 ( 1.6 ) C56B-C56A-C51B 69.1 ( 1.9 ) H56B---C56A 1.367 ( 0.027 ) C55A-C56A-H56B 98.3 ( 1.3 ) C51A-C56A-H56B 86.8 ( 1.2 ) H56A-C56A-H56B 85.0 ( 1.2 ) C55B-C56A-H56B 84.1 ( 1.5 ) C56B-C56A-H56B 43.9 ( 1.3 ) C51B-C56A-H56B 93.2 ( 1.8 ) O51 ---C51A 1.392 ( 0.020 ) C52A---C51A 1.395 ( 0.000 ) O51 -C51A-C52A 126.1 ( 0.8 ) C56A---C51A 1.395 ( 0.000 ) O51 -C51A-C56A 113.7 ( 0.8 ) C52A-C51A-C56A 120.0 ( 0.0 ) C52B---C51A 1.517 ( 0.026 ) O51 -C51A-C52B 112.5 ( 1.5 ) C52A-C51A-C52B 53.2 ( 1.1 ) C56A-C51A-C52B 109.2 ( 1.1 ) C56B---C51A 1.248 ( 0.028 ) O51 -C51A-C56B 124.2 ( 1.7 ) C52A-C51A-C56B 98.2 ( 1.3 ) C56A-C51A-C56B 36.3 ( 1.3 ) C52B-C51A-C56B 121.5 ( 2.3 ) C51B---C51A 0.186 ( 0.027 ) O51 -C51A-C51B 73.6 ( 9.2 ) C52A-C51A-C51B 96.1 ( 8.6 ) C56A-C51A-C51B 104.8 ( 8.9 ) C52B-C51A-C51B 46.3 ( 8.0 ) C56B-C51A-C51B 139.5 (10.1 ) C52A---H52A 0.960 ( 0.000 ) C53A---H53A 0.960 ( 0.000 ) C54A---H54A 0.960 ( 0.000 ) C54B---H54A 1.265 ( 0.029 ) C54A-H54A-C54B 32.0 ( 1.3 ) H54B---H54A 0.852 ( 0.026 ) C54A-H54A-H54B 81.3 ( 2.1 ) C54B-H54A-H54B 49.4 ( 1.5 ) C55A---H55A 0.960 ( 0.000 ) C55B---H55A 1.555 ( 0.029 ) C55A-H55A-C55B 21.6 ( 1.1 ) C56A---H56A 0.960 ( 0.000 ) C52A---C52B 1.308 ( 0.028 ) C51A---C52B 1.517 ( 0.026 ) C52A-C52B-C51A 58.6 ( 1.0 ) C53B---C52B 1.395 ( 0.000 ) C52A-C52B-C53B 85.2 ( 1.4 ) C51A-C52B-C53B 115.8 ( 1.2 ) C51B---C52B 1.395 ( 0.000 ) C52A-C52B-C51B 63.6 ( 1.2 ) C51A-C52B-C51B 5.5 ( 1.1 ) C53B-C52B-C51B 120.0 ( 0.0 ) H52B---C52B 0.960 ( 0.000 ) C52A-C52B-H52B 121.9 ( 1.3 ) C51A-C52B-H52B 124.0 ( 1.2 ) C53B-C52B-H52B 120.0 ( 0.0 ) C51B-C52B-H52B 120.0 ( 0.0 ) C52A---C53B 1.830 ( 0.029 ) C53A---C53B 1.507 ( 0.027 ) C52A-C53B-C53A 48.2 ( 0.8 ) C54A---C53B 1.983 ( 0.027 ) C52A-C53B-C54A 78.5 ( 1.0 ) C53A-C53B-C54A 44.6 ( 0.7 ) C52B---C53B 1.395 ( 0.000 ) C52A-C53B-C52B 45.4 ( 0.9 ) C53A-C53B-C52B 93.3 ( 1.2 ) C54A-C53B-C52B 110.3 ( 0.9 ) C54B---C53B 1.395 ( 0.000 ) C52A-C53B-C54B 90.2 ( 0.9 ) C53A-C53B-C54B 53.9 ( 1.1 ) C54A-C53B-C54B 11.7 ( 0.9 ) C52B-C53B-C54B 120.0 ( 0.0 ) H53B---C53B 0.960 ( 0.000 ) C52A-C53B-H53B 134.3 ( 0.8 ) C53A-C53B-H53B 122.1 ( 1.1 ) C54A-C53B-H53B 129.2 ( 0.9 ) C52B-C53B-H53B 120.0 ( 0.0 ) C54B-C53B-H53B 120.0 ( 0.0 ) C53A---C54B 1.318 ( 0.030 ) C54A---C54B 0.679 ( 0.026 ) C53A-C54B-C54A 81.9 ( 2.6 ) C55A---C54B 1.662 ( 0.027 ) C53A-C54B-C55A 107.8 ( 1.8 ) C54A-C54B-C55A 55.5 ( 2.0 ) H54A---C54B 1.265 ( 0.029 ) C53A-C54B-H54A 105.1 ( 2.0 ) C54A-C54B-H54A 48.5 ( 1.9 ) C55A-C54B-H54A 87.9 ( 1.5 ) C53B---C54B 1.395 ( 0.000 ) C53A-C54B-C53B 67.4 ( 1.2 ) C54A-C54B-C53B 143.7 ( 2.6 ) C55A-C54B-C53B 115.1 ( 1.0 ) H54A-C54B-C53B 156.9 ( 1.2 ) C55B---C54B 1.395 ( 0.000 ) C53A-C54B-C55B 85.5 ( 1.1 ) C54A-C54B-C55B 35.0 ( 2.5 ) C55A-C54B-C55B 26.6 ( 1.0 ) H54A-C54B-C55B 79.6 ( 1.2 ) C53B-C54B-C55B 120.0 ( 0.0 ) H54B---C54B 0.960 ( 0.000 ) C53A-C54B-H54B 117.6 ( 1.3 ) C54A-C54B-H54B 90.8 ( 2.6 ) C55A-C54B-H54B 118.0 ( 1.1 ) H54A-C54B-H54B 42.3 ( 1.3 ) C53B-C54B-H54B 120.0 ( 0.0 ) C55B-C54B-H54B 120.0 ( 0.0 ) C53A---C55B 1.842 ( 0.027 ) C54A---C55B 0.924 ( 0.028 ) C53A-C55B-C54A 47.5 ( 1.3 ) C55A---C55B 0.751 ( 0.029 ) C53A-C55B-C55A 132.9 ( 2.6 ) C54A-C55B-C55A 112.4 ( 3.3 ) C56A---C55B 1.677 ( 0.030 ) C53A-C55B-C56A 104.8 ( 1.5 ) C54A-C55B-C56A 134.5 ( 2.4 ) C55A-C55B-C56A 55.4 ( 1.9 ) H55A---C55B 1.555 ( 0.029 ) C53A-C55B-H55A 150.2 ( 1.8 ) C54A-C55B-H55A 109.0 ( 2.5 ) C55A-C55B-H55A 28.1 ( 1.4 ) C56A-C55B-H55A 78.7 ( 1.3 ) C54B---C55B 1.395 ( 0.000 ) C53A-C55B-C54B 45.5 ( 0.9 ) C54A-C55B-C54B 24.9 ( 1.7 ) C55A-C55B-C54B 96.9 ( 2.0 ) C56A-C55B-C54B 109.8 ( 0.9 ) H55A-C55B-C54B 105.0 ( 1.0 ) C56B---C55B 1.395 ( 0.000 ) C53A-C55B-C56B 92.7 ( 1.0 ) C54A-C55B-C56B 138.1 ( 1.8 ) C55A-C55B-C56B 83.7 ( 2.4 ) C56A-C55B-C56B 29.8 ( 1.0 ) H55A-C55B-C56B 102.3 ( 1.1 ) C54B-C55B-C56B 120.0 ( 0.0 ) H55B---C55B 0.960 ( 0.000 ) C53A-C55B-H55B 130.8 ( 0.9 ) C54A-C55B-H55B 99.4 ( 1.8 ) C55A-C55B-H55B 89.4 ( 2.1 ) C56A-C55B-H55B 122.0 ( 0.9 ) H55A-C55B-H55B 61.9 ( 1.0 ) C54B-C55B-H55B 120.0 ( 0.0 ) C56B-C55B-H55B 120.0 ( 0.0 ) C52A---C56B 2.000 ( 0.027 ) C55A---C56B 1.509 ( 0.031 ) C52A-C56B-C55A 104.4 ( 1.5 ) C56A---C56B 0.835 ( 0.029 ) C52A-C56B-C56A 109.9 ( 2.1 ) C55A-C56B-C56A 65.9 ( 1.9 ) C51A---C56B 1.248 ( 0.028 ) C52A-C56B-C51A 43.7 ( 0.9 ) C55A-C56B-C51A 122.1 ( 2.0 ) C56A-C56B-C51A 81.4 ( 2.1 ) C55B---C56B 1.395 ( 0.000 ) C52A-C56B-C55B 86.9 ( 0.9 ) C55A-C56B-C55B 29.6 ( 1.1 ) C56A-C56B-C55B 94.1 ( 2.1 ) C51A-C56B-C55B 122.0 ( 1.3 ) C51B---C56B 1.395 ( 0.000 ) C52A-C56B-C51B 45.5 ( 0.8 ) C55A-C56B-C51B 117.9 ( 1.0 ) C56A-C56B-C51B 76.8 ( 1.9 ) C51A-C56B-C51B 5.0 ( 1.3 ) C55B-C56B-C51B 120.0 ( 0.0 ) H56B---C56B 0.960 ( 0.000 ) C52A-C56B-H56B 139.1 ( 0.8 ) C55A-C56B-H56B 113.7 ( 1.0 ) C56A-C56B-H56B 99.0 ( 1.8 ) C51A-C56B-H56B 117.8 ( 1.3 ) C55B-C56B-H56B 120.0 ( 0.0 ) C51B-C56B-H56B 120.0 ( 0.0 ) O51 ---C51B 1.352 ( 0.026 ) C52A---C51B 1.427 ( 0.029 ) O51 -C51B-C52A 126.8 ( 1.9 ) C56A---C51B 1.454 ( 0.029 ) O51 -C51B-C56A 112.5 ( 1.7 ) C52A-C51B-C56A 114.0 ( 2.0 ) C51A---C51B 0.186 ( 0.027 ) O51 -C51B-C51A 98.8 ( 9.4 ) C52A-C51B-C51A 76.5 ( 8.5 ) C56A-C51B-C51A 68.1 ( 8.5 ) C52B---C51B 1.395 ( 0.000 ) O51 -C51B-C52B 123.6 ( 0.9 ) C52A-C51B-C52B 55.2 ( 1.1 ) C56A-C51B-C52B 113.0 ( 1.1 ) C51A-C51B-C52B 128.2 ( 8.8 ) C56B---C51B 1.395 ( 0.000 ) O51 -C51B-C56B 116.4 ( 0.9 ) C52A-C51B-C56B 90.3 ( 1.1 ) C56A-C51B-C56B 34.0 ( 1.1 ) C51A-C51B-C56B 35.5 ( 9.0 ) C52B-C51B-C56B 120.0 ( 0.0 ) C52B---H52B 0.960 ( 0.000 ) C53B---H53B 0.960 ( 0.000 ) C54A---H54B 1.184 ( 0.029 ) H54A---H54B 0.852 ( 0.026 ) C54A-H54B-H54A 53.3 ( 1.5 ) C54B---H54B 0.960 ( 0.000 ) C54A-H54B-C54B 35.0 ( 1.4 ) H54A-H54B-C54B 88.3 ( 2.1 ) C54A---H55B 1.437 ( 0.026 ) C55A---H55B 1.212 ( 0.028 ) C54A-H55B-C55A 62.9 ( 1.2 ) C55B---H55B 0.960 ( 0.000 ) C54A-H55B-C55B 39.4 ( 1.2 ) C55A-H55B-C55B 38.3 ( 1.4 ) C56A---H56B 1.367 ( 0.027 ) C56B---H56B 0.960 ( 0.000 ) C56A-H56B-C56B 37.1 ( 1.2 ) C63 ---C62 1.395 ( 0.000 ) C61 ---C62 1.395 ( 0.000 ) C63 -C62 -C61 120.0 ( 0.0 ) H62A---C62 0.960 ( 0.000 ) C63 -C62 -H62A 120.0 ( 0.0 ) C61 -C62 -H62A 120.0 ( 0.0 ) C62 ---C63 1.395 ( 0.000 ) C64 ---C63 1.395 ( 0.000 ) C62 -C63 -C64 120.0 ( 0.0 ) H63A---C63 0.960 ( 0.000 ) C62 -C63 -H63A 120.0 ( 0.0 ) C64 -C63 -H63A 120.0 ( 0.0 ) C63 ---C64 1.395 ( 0.000 ) C65 ---C64 1.395 ( 0.000 ) C63 -C64 -C65 120.0 ( 0.0 ) H64A---C64 0.960 ( 0.000 ) C63 -C64 -H64A 120.0 ( 0.0 ) C65 -C64 -H64A 120.0 ( 0.0 ) C64 ---C65 1.395 ( 0.000 ) C66 ---C65 1.395 ( 0.000 ) C64 -C65 -C66 120.0 ( 0.0 ) H65A---C65 0.960 ( 0.000 ) C64 -C65 -H65A 120.0 ( 0.0 ) C66 -C65 -H65A 120.0 ( 0.0 ) C65 ---C66 1.395 ( 0.000 ) C61 ---C66 1.395 ( 0.000 ) C65 -C66 -C61 120.0 ( 0.0 ) H66A---C66 0.960 ( 0.000 ) C65 -C66 -H66A 120.0 ( 0.0 ) C61 -C66 -H66A 120.0 ( 0.0 ) O61 ---C61 1.371 ( 0.011 ) C62 ---C61 1.395 ( 0.000 ) O61 -C61 -C62 121.8 ( 0.5 ) C66 ---C61 1.395 ( 0.000 ) O61 -C61 -C66 118.2 ( 0.5 ) C62 -C61 -C66 120.0 ( 0.0 ) C62 ---H62A 0.960 ( 0.000 ) C63 ---H63A 0.960 ( 0.000 ) C64 ---H64A 0.960 ( 0.000 ) C65 ---H65A 0.960 ( 0.000 ) C66 ---H66A 0.960 ( 0.000 ) H01D---O01 1.248 ( 0.000 ) C01B---O01 1.214 ( 0.029 ) H01D-O01 -C01B 118.9 ( 1.5 ) O01 ---H01D 1.248 ( 0.000 ) O01 ---C01B 1.214 ( 0.029 ) H01A---C01B 0.960 ( 0.000 ) O01 -C01B-H01A 102.2 ( 1.4 ) H01B---C01B 0.960 ( 0.000 ) O01 -C01B-H01B 102.3 ( 1.6 ) H01A-C01B-H01B 109.5 ( 0.0 ) C02B---C01B 1.234 ( 0.031 ) O01 -C01B-C02B 137.0 ( 3.1 ) H01A-C01B-C02B 102.2 ( 1.8 ) H01B-C01B-C02B 102.3 ( 1.9 ) C01B---H01A 0.960 ( 0.000 ) C01B---H01B 0.960 ( 0.000 ) C01B---C02B 1.234 ( 0.031 ) H02A---C02B 0.958 ( 0.000 ) C01B-C02B-H02A 109.5 ( 2.0 ) H02B---C02B 0.960 ( 0.000 ) C01B-C02B-H02B 109.5 ( 1.9 ) H02A-C02B-H02B 109.4 ( 0.0 ) H02C---C02B 0.959 ( 0.000 ) C01B-C02B-H02C 109.4 ( 1.8 ) H02A-C02B-H02C 109.4 ( 0.0 ) H02B-C02B-H02C 109.6 ( 0.0 ) C02B---H02A 0.958 ( 0.000 ) C02B---H02B 0.960 ( 0.000 ) C02B---H02C 0.959 ( 0.000 ) Q1 1 0.2298 0.8843 0.1188 11.0000 0.05 Q2 1 0.2691 0.5028 0.2105 11.0000 0.05 Q3 1 0.0286 1.0249 0.3688 11.0000 0.05 Q4 1 -0.0189 0.7167 0.2304 11.0000 0.05 Q6 1 0.1244 0.2820 0.2694 11.0000 0.05 Q7 1 -0.0524 1.0403 0.3535 11.0000 0.05 Q8 1 0.0255 0.3040 0.4793 11.0000 0.05 Q9 1 -0.0314 0.6430 0.1515 11.0000 0.05 Q10 1 -0.0140 1.1820 0.2968 11.0000 0.05 Q11 1 0.2042 0.5218 0.3436 11.0000 0.05 Q12 1 0.1031 0.8213 0.3738 11.0000 0.05 Q13 1 0.2400 0.8067 0.4473 11.0000 0.05 Q14 1 0.1450 0.7394 0.5598 11.0000 0.05 Q15 1 -0.0115 0.6870 0.1866 11.0000 0.05 Q16 1 -0.0884 0.6132 0.2597 11.0000 0.05 Q17 1 0.0354 0.3026 0.2796 11.0000 0.05 Q18 1 -0.0619 1.0813 0.4587 11.0000 0.05 Q19 1 0.0802 0.4186 0.3513 11.0000 0.05 Q20 1 0.1798 0.1471 0.2864 11.0000 0.05 Q21 1 0.0094 0.3985 0.2945 11.0000 0.05 END