----------------------------------------- Atom Coordinates (Angstroms) Number X Y Z ----------------------------------------- 1 .000000 .000000 .000000 2 .000000 .000000 1.403651 3 1.215769 .000000 2.107076 4 2.465071 .000000 1.428308 5 2.434192 .000000 .007433 6 1.217675 .000000 -.699063 7 3.712351 .020278 2.072793 8 3.938155 .023743 3.403305 9 5.179776 .063403 4.054600 10 5.201486 .037922 5.475779 11 6.411020 .054115 6.190971 12 7.632792 .096309 5.501439 13 7.643317 .122250 4.097786 14 6.432083 .105996 3.383668 15 4.329131 .006972 6.013129 16 6.400465 .035153 7.213193 17 8.513965 .108169 6.019013 18 8.531433 .152985 3.593036 19 6.497435 .126201 2.365995 20 3.146297 -.020274 3.996393 21 4.502938 .047117 1.478372 22 -.884002 .000000 1.915780 23 1.155889 .015121 3.125511 24 3.302857 .014478 -.536475 25 1.220993 .000000 -1.721120 26 -.884819 .000000 -.510871 ----------------------------------------- Atom Atom Partial Number Type Charge ----------------------------------------- 1 C -.125239 2 C -.050782 3 C -.195534 4 C .253327 5 C -.228121 6 C -.025917 7 C -.223647 8 C -.187188 9 C .227017 10 C -.218317 11 C -.030732 12 C -.118349 13 C -.057929 14 C -.183791 15 H .107509 16 H .077981 17 H .088886 18 H .084915 19 H .106268 20 H .111723 21 H .119707 22 H .083614 23 H .107866 24 H .108948 25 H .077498 26 H .090287