TITL P1 CELL 9.74832 12.74268 15.70341 99.506 77.047 92.504 SPGR P1 ATOM C1 .383711 .582394 .744569 ATOM H1 .366919 .652742 .787799 ATOM C2 .399327 .488590 .776236 ATOM H2 .397314 .490858 .842170 ATOM C3 .416815 .392072 .718357 ATOM H3 .427670 .322915 .741548 ATOM C4 .419115 .389690 .628901 ATOM H4 .435909 .319342 .585671 ATOM C5 .403500 .483495 .597233 ATOM H5 .405529 .481227 .531298 ATOM C6 .386010 .580012 .655113 ATOM H6 .375147 .649169 .631924 ATOM C1 .149341 .238599 1.026240 ATOM H1 .147324 .240871 1.092175 ATOM C2 .133706 .332399 .994572 ATOM H2 .116947 .402761 1.037785 ATOM C3 .135998 .330010 .905115 ATOM H3 .125128 .399165 .881923 ATOM C4 .153496 .233491 .847238 ATOM H4 .155512 .231218 .781303 ATOM C5 .169132 .139692 .878906 ATOM H5 .185890 .069329 .835693 ATOM C6 .166840 .142080 .968363 ATOM H6 .177708 .072926 .991555 ATOM C1 -.330847 -.360324 -.621102 ATOM H1 -.314047 -.430671 -.664332 ATOM C2 -.346465 -.266521 -.652771 ATOM H2 -.344441 -.268789 -.718706 ATOM C3 -.363963 -.170003 -.594892 ATOM H3 -.374823 -.100847 -.618084 ATOM C4 -.366270 -.167619 -.505435 ATOM H4 -.383072 -.097272 -.462205 ATOM C5 -.350652 -.261423 -.473766 ATOM H5 -.352685 -.259154 -.407829 ATOM C6 -.333154 -.357940 -.531645 ATOM H6 -.322292 -.427097 -.508455 ATOM C1 -.190389 -.601154 -.813502 ATOM H1 -.258475 -.664949 -.813622 ATOM C2 -.075511 -.600267 -.773985 ATOM H2 -.058698 -.663465 -.744835 ATOM C3 .016290 -.513142 -.773941 ATOM H3 .103086 -.513475 -.747160 ATOM C4 -.006743 -.426764 -.813037 ATOM H4 .061337 -.362965 -.812910 ATOM C5 -.121620 -.427651 -.852555 ATOM H5 -.138431 -.364454 -.881706 ATOM C6 -.213421 -.514776 -.852599 ATOM H6 -.300216 -.514444 -.879380 ATOM C1 -.371632 .322351 -.102558 ATOM H1 -.388446 .385550 -.131706 ATOM C2 -.463429 .235223 -.102606 ATOM H2 -.550223 .235555 -.129390 ATOM C3 -.440396 .148844 -.063513 ATOM H3 -.508475 .085044 -.063642 ATOM C4 -.325522 .149731 -.023992 ATOM H4 -.308709 .086533 .005158 ATOM C5 -.233725 .236859 -.023944 ATOM H5 -.146931 .236527 .002839 ATOM C6 -.256758 .323238 -.063038 ATOM H6 -.188677 .387036 -.062913 ATOM C1 -.121649 .572350 -.352552 ATOM H1 -.138462 .635553 -.381696 ATOM C2 -.006757 .573222 -.313050 ATOM H2 .061341 .637011 -.312935 ATOM C3 .016279 .486836 -.273965 ATOM H3 .103052 .486493 -.247164 ATOM C4 -.075533 .399716 -.274004 ATOM H4 -.058720 .336513 -.244861 ATOM C5 -.190424 .398844 -.313508 ATOM H5 -.258514 .335051 -.313630 ATOM C6 -.213462 .485231 -.352591 ATOM H6 -.300240 .485577 -.379388 ATOM C1 .416862 -.607949 1.218341 ATOM H1 .427730 -.677103 1.241533 ATOM C2 .399365 -.511430 1.276218 ATOM H2 .397346 -.509157 1.342153 ATOM C3 .383733 -.417630 1.244549 ATOM H3 .366976 -.347267 1.287762 ATOM C4 .386029 -.420018 1.155092 ATOM H4 .375162 -.350863 1.131900 ATOM C5 .403527 -.516537 1.097215 ATOM H5 .405550 -.518808 1.031280 ATOM C6 .419158 -.610337 1.128884 ATOM H6 .435916 -.680700 1.085671 ATOM C1 .174511 -.350299 1.476001 ATOM H1 .191325 -.413506 1.505139 ATOM C2 .059616 -.351163 1.436502 ATOM H2 -.008484 -.414950 1.436386 ATOM C3 .036581 -.264771 1.397424 ATOM H3 -.050195 -.264422 1.370625 ATOM C4 .128396 -.177653 1.397466 ATOM H4 .111584 -.114446 1.368327 ATOM C5 .243290 -.176789 1.436966 ATOM H5 .311380 -.112996 1.437092 ATOM C6 .266327 -.263181 1.476043 ATOM H6 .353106 -.263533 1.502838 ATOM C1 .883705 1.082390 .744569 ATOM H1 .866909 1.152738 .787799 ATOM C2 .899327 .988587 .776237 ATOM H2 .897314 .990856 .842170 ATOM C3 .916818 .892069 .718358 ATOM H3 .927679 .822913 .741548 ATOM C4 .919117 .889686 .628902 ATOM H4 .935915 .819338 .585672 ATOM C5 .903496 .983489 .597234 ATOM H5 .905523 .981221 .531298 ATOM C6 .886002 1.080007 .655113 ATOM H6 .875136 1.149163 .631924 ATOM C1 .649343 .738607 1.026227 ATOM H1 .647325 .740884 1.092162 ATOM C2 .633705 .832403 .994554 ATOM H2 .616940 .902767 1.037765 ATOM C3 .635998 .830008 .905096 ATOM H3 .625127 .899160 .881902 ATOM C4 .653501 .733487 .847223 ATOM H4 .655517 .731209 .781287 ATOM C5 .669139 .639691 .878896 ATOM H5 .685900 .569327 .835685 ATOM C6 .666845 .642085 .968353 ATOM H6 .677715 .572934 .991549 ATOM C1 .169143 .139675 -.621120 ATOM H1 .185939 .069329 -.664351 ATOM C2 .153530 .233481 -.652785 ATOM H2 .155556 .231217 -.718720 ATOM C3 .136036 .329997 -.594903 ATOM H3 .125180 .399155 -.618092 ATOM C4 .133727 .332374 -.505446 ATOM H4 .116927 .402720 -.462214 ATOM C5 .149339 .238568 -.473781 ATOM H5 .147305 .240832 -.407844 ATOM C6 .166835 .142052 -.531663 ATOM H6 .177694 .072894 -.508476 ATOM C1 .309610 -.101166 -.813505 ATOM H1 .241523 -.164962 -.813626 ATOM C2 .424487 -.100279 -.773988 ATOM H2 .441300 -.163477 -.744838 ATOM C3 .516287 -.013154 -.773944 ATOM H3 .603082 -.013485 -.747162 ATOM C4 .493254 .073224 -.813041 ATOM H4 .561333 .137024 -.812913 ATOM C5 .378378 .072336 -.852559 ATOM H5 .361567 .135534 -.881710 ATOM C6 .286577 -.014789 -.852602 ATOM H6 .199781 -.014456 -.879383 ATOM C1 .128376 .822348 -.102554 ATOM H1 .111564 .885549 -.131699 ATOM C2 .036576 .735222 -.102602 ATOM H2 -.050218 .735557 -.129385 ATOM C3 .059607 .648840 -.063511 ATOM H3 -.008475 .585042 -.063640 ATOM C4 .174483 .649722 -.023992 ATOM H4 .191296 .586522 .005155 ATOM C5 .266283 .736848 -.023944 ATOM H5 .353079 .736512 .002837 ATOM C6 .243252 .823230 -.063036 ATOM H6 .311334 .887027 -.062909 ATOM C1 .378334 1.072365 -.352550 ATOM H1 .361518 1.135569 -.381692 ATOM C2 .493227 1.073236 -.313049 ATOM H2 .561325 1.137024 -.312935 ATOM C3 .516265 .986849 -.273966 ATOM H3 .603039 .986506 -.247166 ATOM C4 .424454 .899728 -.274006 ATOM H4 .441268 .836524 -.244864 ATOM C5 .309562 .898857 -.313509 ATOM H5 .241475 .835062 -.313634 ATOM C6 .286522 .985244 -.352591 ATOM H6 .199746 .985590 -.379388 ATOM C1 .916851 -.107940 1.218345 ATOM H1 .927717 -.177094 1.241537 ATOM C2 .899353 -.011420 1.276221 ATOM H2 .897336 -.009146 1.342156 ATOM C3 .883720 .082379 1.244551 ATOM H3 .866962 .152742 1.287763 ATOM C4 .886015 .079990 1.155094 ATOM H4 .875147 .149143 1.131901 ATOM C5 .903514 -.016530 1.097217 ATOM H5 .905538 -.018802 1.031282 ATOM C6 .919146 -.110329 1.128887 ATOM H6 .935909 -.180692 1.085674 ATOM C1 .674498 .149708 1.476004 ATOM H1 .691310 .086503 1.505145 ATOM C2 .559604 .148841 1.436503 ATOM H2 .491505 .085053 1.436387 ATOM C3 .536569 .235230 1.397422 ATOM H3 .449795 .235577 1.370623 ATOM C4 .628384 .322349 1.397464 ATOM H4 .611572 .385555 1.368323 ATOM C5 .743276 .323216 1.436965 ATOM H5 .811368 .387008 1.437089 ATOM C6 .766313 .236826 1.476045 ATOM H6 .853091 .236476 1.502840