ATOM 1 O1 MOL 1 -1.359 -0.915 8.365 1.00 0.00 ATOM 2 O2 MOL 1 -2.549 0.959 8.305 1.00 0.00 ATOM 3 H2 MOL 1 -2.414 1.881 8.059 1.00 0.00 ATOM 4 C1 MOL 1 -1.400 0.262 8.115 1.00 0.00 ATOM 5 C2 MOL 1 -0.246 1.101 7.582 1.00 0.00 ATOM 6 H21 MOL 1 -0.082 1.940 8.285 1.00 0.00 ATOM 7 H22 MOL 1 -0.575 1.570 6.635 1.00 0.00 ATOM 8 C3 MOL 1 1.050 0.312 7.372 1.00 0.00 ATOM 9 H31 MOL 1 0.866 -0.521 6.670 1.00 0.00 ATOM 10 H32 MOL 1 1.362 -0.149 8.326 1.00 0.00 ATOM 11 C4 MOL 1 2.199 1.181 6.833 1.00 0.00 ATOM 12 H41 MOL 1 2.385 2.015 7.535 1.00 0.00 ATOM 13 H42 MOL 1 1.890 1.642 5.877 1.00 0.00 ATOM 14 C5 MOL 1 3.509 0.403 6.617 1.00 0.00 ATOM 15 H51 MOL 1 3.324 -0.432 5.917 1.00 0.00 ATOM 16 H52 MOL 1 3.819 -0.058 7.573 1.00 0.00 ATOM 17 C6 MOL 1 4.659 1.271 6.079 1.00 0.00 ATOM 18 H61 MOL 1 4.844 2.106 6.779 1.00 0.00 ATOM 19 H62 MOL 1 4.352 1.732 5.122 1.00 0.00 ATOM 20 C7 MOL 1 5.966 0.487 5.868 1.00 0.00 ATOM 21 H71 MOL 1 5.770 -0.350 5.174 1.00 0.00 ATOM 22 H72 MOL 1 6.263 0.026 6.828 1.00 0.00 ATOM 23 C8 MOL 1 7.137 1.327 5.336 1.00 0.00 ATOM 24 H81 MOL 1 7.324 2.167 6.021 1.00 0.00 ATOM 25 H82 MOL 1 6.869 1.780 4.363 1.00 0.00 ATOM 26 C9 MOL 1 8.364 0.464 5.150 1.00 0.00 ATOM 27 H9 MOL 1 8.272 -0.287 4.360 1.00 0.00 ATOM 28 C10 MOL 1 9.521 0.509 5.827 1.00 0.00 ATOM 29 H10 MOL 1 10.305 -0.203 5.549 1.00 0.00 ATOM 30 C11 MOL 1 9.904 1.434 6.964 1.00 0.00 ATOM 31 H111MOL 1 9.104 2.152 7.198 1.00 0.00 ATOM 32 H112MOL 1 10.765 2.037 6.639 1.00 0.00 ATOM 33 C12 MOL 1 10.208 0.644 8.221 1.00 0.00 ATOM 34 H12 MOL 1 9.365 0.050 8.589 1.00 0.00 ATOM 35 C13 MOL 1 11.360 0.589 8.906 1.00 0.00 ATOM 36 H13 MOL 1 11.388 -0.050 9.793 1.00 0.00 ATOM 37 C14 MOL 1 12.659 1.305 8.613 1.00 0.00 ATOM 38 H141MOL 1 12.969 1.864 9.516 1.00 0.00 ATOM 39 H142MOL 1 12.546 2.054 7.815 1.00 0.00 ATOM 40 C15 MOL 1 13.748 0.298 8.214 1.00 0.00 ATOM 41 H151MOL 1 13.410 -0.263 7.324 1.00 0.00 ATOM 42 H152MOL 1 13.870 -0.449 9.020 1.00 0.00 ATOM 43 C16 MOL 1 15.120 0.926 7.911 1.00 0.00 ATOM 44 H161MOL 1 15.469 1.486 8.798 1.00 0.00 ATOM 45 H162MOL 1 15.010 1.669 7.100 1.00 0.00 ATOM 46 C17 MOL 1 16.190 -0.104 7.510 1.00 0.00 ATOM 47 H171MOL 1 15.845 -0.663 6.622 1.00 0.00 ATOM 48 H172MOL 1 16.306 -0.847 8.320 1.00 0.00 ATOM 49 C18 MOL 1 17.554 0.531 7.209 1.00 0.00 ATOM 50 H181MOL 1 17.943 1.068 8.089 1.00 0.00 ATOM 51 H182MOL 1 18.297 -0.231 6.925 1.00 0.00 ATOM 52 H183MOL 1 17.479 1.253 6.379 1.00 0.00 TER