PM3 PRECISE XYZ C -0.703 1 -1.688 1 -1.17 1 C -0.228 1 -0.261 1 -1.396 1 C -1.317 1 0.747 1 -0.946 1 O -2.591 1 0.517 1 -1.563 1 C -2.921 1 -0.769 1 -1.897 1 C -4.205 1 -0.918 1 -2.427 1 C -4.658 1 -2.176 1 -2.798 1 C -3.849 1 -3.292 1 -2.644 1 C -2.57 1 -3.141 1 -2.109 1 C -2.077 1 -1.879 1 -1.741 1 O -1.85 1 -4.297 1 -1.982 1 O -5.918 1 -2.274 1 -3.309 1 C -1.43 1 0.947 1 0.573 1 C -0.442 1 1.71 1 1.244 1 C -0.431 1 1.803 1 2.634 1 C -1.463 1 1.236 1 3.366 1 C -2.47 1 0.529 1 2.72 1 C -2.458 1 0.367 1 1.337 1 O -3.475 1 -0.04 1 3.449 1 O -1.49 1 1.347 1 4.731 1 O 0.591 1 2.402 1 3.321 1 O 0.975 1 0.005 1 -0.655 1 C 2.179 1 -0.418 1 -1.087 1 O 2.414 1 -1.09 1 -2.071 1 C 3.188 1 0.207 1 -0.189 1 C 2.808 1 0.637 1 1.092 1 C 3.643 1 1.46 1 1.823 1 C 4.918 1 1.739 1 1.356 1 C 5.341 1 1.231 1 0.127 1 C 4.476 1 0.478 1 -0.667 1 O 6.61 1 1.54 1 -0.279 1 O 5.74 1 2.53 1 2.108 1 O 3.152 1 2.037 1 2.965 1 H -0.709 1 -1.937 1 -0.102 1 H 0.014 1 -2.366 1 -1.647 1 H -0.039 1 -0.106 1 -2.468 1 H -1.006 1 1.729 1 -1.33 1 H -4.851 1 -0.053 1 -2.546 1 H -4.193 1 -4.283 1 -2.926 1 H -1.04 1 -4.131 1 -1.476 1 H -6.093 1 -3.204 1 -3.526 1 H 0.342 1 2.2 1 0.671 1 H -3.254 1 -0.209 1 0.872 1 H -3.282 1 0.209 1 4.375 1 H -0.705 1 1.892 1 4.944 1 H 1.416 1 2.378 1 2.796 1 H 1.841 1 0.372 1 1.507 1 H 4.77 1 0.132 1 -1.654 1 H 6.778 1 1.109 1 -1.137 1 H 6.572 1 2.584 1 1.592 1 H 3.953 1 2.46 1 3.358 1 Bond info. 1 2 1 1 10 1 1 34 1 1 35 1 2 3 1 2 22 1 2 36 1 3 4 1 3 13 1 3 37 1 4 5 1 5 6 2 5 10 1 6 7 1 6 38 1 7 8 2 7 12 1 8 9 1 8 39 1 9 10 2 9 11 1 11 40 1 12 41 1 13 14 2 13 18 1 14 15 1 14 42 1 15 16 2 15 21 1 16 17 1 16 20 1 17 18 2 17 19 1 18 43 1 19 44 1 20 45 1 21 46 1 22 23 1 23 24 2 23 25 1 25 26 2 25 30 1 26 27 1 26 47 1 27 28 2 27 33 1 28 29 1 28 32 1 29 30 2 29 31 1 30 48 1 31 49 1 32 50 1 33 51 1