COMPND HMDB0041025 HETATM 1 C1 UNL 1 -3.160 6.059 1.955 1.00 0.00 C HETATM 2 C2 UNL 1 -1.884 5.402 1.481 1.00 0.00 C HETATM 3 O1 UNL 1 -2.186 4.517 0.482 1.00 0.00 O HETATM 4 C3 UNL 1 -1.021 3.931 -0.024 1.00 0.00 C HETATM 5 O2 UNL 1 -1.276 2.978 -0.962 1.00 0.00 O HETATM 6 C4 UNL 1 -0.954 1.684 -0.674 1.00 0.00 C HETATM 7 C5 UNL 1 0.075 1.198 -1.664 1.00 0.00 C HETATM 8 O3 UNL 1 0.039 1.970 -2.847 1.00 0.00 O HETATM 9 C6 UNL 1 -0.219 -0.211 -2.056 1.00 0.00 C HETATM 10 C7 UNL 1 0.889 -0.935 -2.749 1.00 0.00 C HETATM 11 O4 UNL 1 2.049 -1.066 -1.960 1.00 0.00 O HETATM 12 C8 UNL 1 3.177 -1.717 -2.443 1.00 0.00 C HETATM 13 O5 UNL 1 3.085 -2.166 -3.616 1.00 0.00 O HETATM 14 C9 UNL 1 4.407 -1.879 -1.643 1.00 0.00 C HETATM 15 C10 UNL 1 4.497 -1.413 -0.427 1.00 0.00 C HETATM 16 C11 UNL 1 5.710 -1.565 0.381 1.00 0.00 C HETATM 17 C12 UNL 1 5.733 -1.035 1.666 1.00 0.00 C HETATM 18 C13 UNL 1 6.842 -1.158 2.462 1.00 0.00 C HETATM 19 C14 UNL 1 7.985 -1.808 2.035 1.00 0.00 C HETATM 20 O6 UNL 1 9.123 -1.939 2.840 1.00 0.00 O HETATM 21 C15 UNL 1 7.939 -2.324 0.762 1.00 0.00 C HETATM 22 O7 UNL 1 9.078 -2.993 0.290 1.00 0.00 O HETATM 23 C16 UNL 1 6.830 -2.217 -0.071 1.00 0.00 C HETATM 24 O8 UNL 1 -0.514 -0.937 -0.889 1.00 0.00 O HETATM 25 C17 UNL 1 -1.831 -0.676 -0.484 1.00 0.00 C HETATM 26 O9 UNL 1 -2.633 -1.435 -1.330 1.00 0.00 O HETATM 27 C18 UNL 1 -3.401 -2.382 -0.706 1.00 0.00 C HETATM 28 C19 UNL 1 -2.642 -3.414 0.069 1.00 0.00 C HETATM 29 C20 UNL 1 -3.679 -4.349 0.648 1.00 0.00 C HETATM 30 C21 UNL 1 -4.244 -4.117 1.866 1.00 0.00 C HETATM 31 C22 UNL 1 -5.183 -4.993 2.354 1.00 0.00 C HETATM 32 C23 UNL 1 -5.556 -6.109 1.612 1.00 0.00 C HETATM 33 O10 UNL 1 -6.498 -6.958 2.138 1.00 0.00 O HETATM 34 C24 UNL 1 -4.983 -6.333 0.389 1.00 0.00 C HETATM 35 O11 UNL 1 -5.329 -7.444 -0.391 1.00 0.00 O HETATM 36 C25 UNL 1 -4.032 -5.434 -0.090 1.00 0.00 C HETATM 37 C26 UNL 1 -2.180 0.776 -0.730 1.00 0.00 C HETATM 38 O12 UNL 1 -3.111 1.140 0.240 1.00 0.00 O HETATM 39 C27 UNL 1 -0.066 4.936 -0.626 1.00 0.00 C HETATM 40 O13 UNL 1 1.074 4.197 -1.016 1.00 0.00 O HETATM 41 C28 UNL 1 0.321 5.918 0.459 1.00 0.00 C HETATM 42 O14 UNL 1 0.976 5.164 1.442 1.00 0.00 O HETATM 43 C29 UNL 1 -0.953 6.509 1.015 1.00 0.00 C HETATM 44 O15 UNL 1 -0.735 7.370 2.065 1.00 0.00 O HETATM 45 H1 UNL 1 -2.929 7.102 2.245 1.00 0.00 H HETATM 46 H2 UNL 1 -3.564 5.577 2.869 1.00 0.00 H HETATM 47 H3 UNL 1 -3.921 6.115 1.141 1.00 0.00 H HETATM 48 H4 UNL 1 -1.442 4.902 2.388 1.00 0.00 H HETATM 49 H5 UNL 1 -0.510 3.455 0.853 1.00 0.00 H HETATM 50 H6 UNL 1 -0.500 1.630 0.341 1.00 0.00 H HETATM 51 H7 UNL 1 1.105 1.228 -1.242 1.00 0.00 H HETATM 52 H8 UNL 1 -0.743 1.650 -3.371 1.00 0.00 H HETATM 53 H9 UNL 1 -1.125 -0.251 -2.737 1.00 0.00 H HETATM 54 H10 UNL 1 0.595 -1.958 -3.062 1.00 0.00 H HETATM 55 H11 UNL 1 1.103 -0.377 -3.706 1.00 0.00 H HETATM 56 H12 UNL 1 5.214 -2.399 -2.125 1.00 0.00 H HETATM 57 H13 UNL 1 3.627 -0.901 -0.031 1.00 0.00 H HETATM 58 H14 UNL 1 4.844 -0.508 2.042 1.00 0.00 H HETATM 59 H15 UNL 1 6.881 -0.751 3.468 1.00 0.00 H HETATM 60 H16 UNL 1 9.065 -1.525 3.766 1.00 0.00 H HETATM 61 H17 UNL 1 9.123 -3.397 -0.620 1.00 0.00 H HETATM 62 H18 UNL 1 6.866 -2.656 -1.080 1.00 0.00 H HETATM 63 H19 UNL 1 -1.923 -0.947 0.584 1.00 0.00 H HETATM 64 H20 UNL 1 -4.195 -1.936 -0.053 1.00 0.00 H HETATM 65 H21 UNL 1 -3.970 -2.917 -1.518 1.00 0.00 H HETATM 66 H22 UNL 1 -2.048 -2.946 0.882 1.00 0.00 H HETATM 67 H23 UNL 1 -2.020 -4.029 -0.605 1.00 0.00 H HETATM 68 H24 UNL 1 -3.926 -3.237 2.419 1.00 0.00 H HETATM 69 H25 UNL 1 -5.652 -4.837 3.322 1.00 0.00 H HETATM 70 H26 UNL 1 -6.831 -7.785 1.683 1.00 0.00 H HETATM 71 H27 UNL 1 -6.002 -8.110 -0.087 1.00 0.00 H HETATM 72 H28 UNL 1 -3.592 -5.644 -1.078 1.00 0.00 H HETATM 73 H29 UNL 1 -2.661 0.885 -1.719 1.00 0.00 H HETATM 74 H30 UNL 1 -3.647 1.916 0.017 1.00 0.00 H HETATM 75 H31 UNL 1 -0.492 5.437 -1.512 1.00 0.00 H HETATM 76 H32 UNL 1 1.411 4.638 -1.833 1.00 0.00 H HETATM 77 H33 UNL 1 0.963 6.727 0.067 1.00 0.00 H HETATM 78 H34 UNL 1 1.594 5.726 1.975 1.00 0.00 H HETATM 79 H35 UNL 1 -1.472 7.060 0.209 1.00 0.00 H HETATM 80 H36 UNL 1 -0.786 8.322 1.746 1.00 0.00 H CONECT 1 2 45 46 47 CONECT 2 3 43 48 CONECT 3 4 CONECT 4 5 39 49 CONECT 5 6 CONECT 6 7 37 50 CONECT 7 8 9 51 CONECT 8 52 CONECT 9 10 24 53 CONECT 10 11 54 55 CONECT 11 12 CONECT 12 13 13 14 CONECT 14 15 15 56 CONECT 15 16 57 CONECT 16 17 17 23 CONECT 17 18 58 CONECT 18 19 19 59 CONECT 19 20 21 CONECT 20 60 CONECT 21 22 23 23 CONECT 22 61 CONECT 23 62 CONECT 24 25 CONECT 25 26 37 63 CONECT 26 27 CONECT 27 28 64 65 CONECT 28 29 66 67 CONECT 29 30 30 36 CONECT 30 31 68 CONECT 31 32 32 69 CONECT 32 33 34 CONECT 33 70 CONECT 34 35 36 36 CONECT 35 71 CONECT 36 72 CONECT 37 38 73 CONECT 38 74 CONECT 39 40 41 75 CONECT 40 76 CONECT 41 42 43 77 CONECT 42 78 CONECT 43 44 79 CONECT 44 80 END