ATOM 1 O1 MOL 1 5.546 12.675 12.195 1.00 0.00 ATOM 2 C1 MOL 1 5.514 13.818 11.816 1.00 0.00 ATOM 3 O2 MOL 1 4.367 14.536 11.915 1.00 0.00 ATOM 4 H2 MOL 1 4.510 15.425 11.573 1.00 0.00 ATOM 5 C2 MOL 1 6.677 14.589 11.206 1.00 0.00 ATOM 6 H21 MOL 1 6.367 14.935 10.201 1.00 0.00 ATOM 7 H22 MOL 1 6.827 15.511 11.800 1.00 0.00 ATOM 8 C3 MOL 1 7.977 13.783 11.122 1.00 0.00 ATOM 9 H31 MOL 1 7.798 12.866 10.533 1.00 0.00 ATOM 10 H32 MOL 1 8.260 13.447 12.136 1.00 0.00 ATOM 11 C4 MOL 1 9.152 14.559 10.509 1.00 0.00 ATOM 12 H42 MOL 1 8.903 14.878 9.479 1.00 0.00 ATOM 13 H41 MOL 1 9.320 15.481 11.083 1.00 0.00 ATOM 14 C5 MOL 1 10.390 13.691 10.461 1.00 0.00 ATOM 15 H5 MOL 1 10.321 12.844 9.773 1.00 0.00 ATOM 16 H6 MOL 1 12.324 13.098 10.988 1.00 0.00 ATOM 17 C6 MOL 1 11.530 13.834 11.153 1.00 0.00 ATOM 18 C7 MOL 1 11.879 14.899 12.172 1.00 0.00 ATOM 19 H71 MOL 1 11.073 15.639 12.286 1.00 0.00 ATOM 20 H72 MOL 1 12.750 15.458 11.800 1.00 0.00 ATOM 21 C8 MOL 1 12.140 14.279 13.530 1.00 0.00 ATOM 22 H8 MOL 1 11.284 13.732 13.940 1.00 0.00 ATOM 23 H9 MOL 1 13.260 13.810 15.229 1.00 0.00 ATOM 24 C9 MOL 1 13.261 14.324 14.262 1.00 0.00 ATOM 25 C10 MOL 1 14.572 15.006 13.929 1.00 0.00 ATOM 26 H102MOL 1 14.526 15.541 12.969 1.00 0.00 ATOM 27 H101MOL 1 14.759 15.778 14.692 1.00 0.00 ATOM 28 C11 MOL 1B 15.702 14.000 13.854 1.00 0.00 ATOM 29 H11 MOL 1B 15.565 13.234 13.082 1.00 0.00 ATOM 30 H12 MOL 1B 17.522 13.132 14.398 1.00 0.00 ATOM 31 C12 MOL 1B 16.813 13.942 14.600 1.00 0.00 ATOM 32 C13 MOL 1B 17.241 14.866 15.721 1.00 0.00 ATOM 33 H131MOL 1B 16.527 15.691 15.871 1.00 0.00 ATOM 34 H132MOL 1B 18.189 15.341 15.427 1.00 0.00 ATOM 35 C14 MOL 1B 17.368 14.110 17.027 1.00 0.00 ATOM 36 H14 MOL 1B 16.437 13.644 17.365 1.00 0.00 ATOM 37 C15 MOL 1B 18.462 13.946 17.786 1.00 0.00 ATOM 38 H15 MOL 1B 18.358 13.354 18.700 1.00 0.00 ATOM 39 C16 MOL 1B 19.857 14.480 17.546 1.00 0.00 ATOM 40 H162MOL 1B 19.886 15.195 16.712 1.00 0.00 ATOM 41 H161MOL 1B 20.182 15.040 18.442 1.00 0.00 ATOM 42 C17 MOL 1B 20.830 13.326 17.262 1.00 0.00 ATOM 43 H171MOL 1B 20.476 12.767 16.377 1.00 0.00 ATOM 44 H172MOL 1B 20.808 12.611 18.105 1.00 0.00 ATOM 45 C18 MOL 1B 22.286 13.763 17.021 1.00 0.00 ATOM 46 H182MOL 1B 22.318 14.471 16.174 1.00 0.00 ATOM 47 H181MOL 1B 22.651 14.319 17.904 1.00 0.00 ATOM 48 C19 MOL 1B 23.238 12.588 16.734 1.00 0.00 ATOM 49 H192MOL 1B 23.210 11.879 17.581 1.00 0.00 ATOM 50 C20 MOL 1B 24.686 13.032 16.495 1.00 0.00 ATOM 51 H203MOL 1B 24.753 13.715 15.632 1.00 0.00 ATOM 52 H202MOL 1B 25.342 12.171 16.292 1.00 0.00 ATOM 53 H201MOL 1B 25.088 13.561 17.374 1.00 0.00 ATOM 54 H191MOL 1B 22.877 12.032 15.851 1.00 0.00 TER