COMPND HMDB0041260 HETATM 1 O1 UNL 1 5.691 0.364 0.472 1.00 0.00 O HETATM 2 C1 UNL 1 4.933 -0.594 0.605 1.00 0.00 C HETATM 3 O2 UNL 1 3.648 -0.459 0.074 1.00 0.00 O HETATM 4 C2 UNL 1 3.301 0.763 -0.569 1.00 0.00 C HETATM 5 C3 UNL 1 3.290 0.472 -2.072 1.00 0.00 C HETATM 6 C4 UNL 1 1.943 0.429 -2.661 1.00 0.00 C HETATM 7 C5 UNL 1 1.867 0.348 -4.036 1.00 0.00 C HETATM 8 O3 UNL 1 3.071 0.360 -4.799 1.00 0.00 O HETATM 9 C6 UNL 1 0.642 0.254 -4.612 1.00 0.00 C HETATM 10 C7 UNL 1 -0.534 0.226 -3.889 1.00 0.00 C HETATM 11 O4 UNL 1 -1.678 0.143 -4.593 1.00 0.00 O HETATM 12 C8 UNL 1 -0.507 0.296 -2.497 1.00 0.00 C HETATM 13 C9 UNL 1 -1.672 0.119 -1.683 1.00 0.00 C HETATM 14 C10 UNL 1 -2.571 -0.965 -2.144 1.00 0.00 C HETATM 15 C11 UNL 1 -2.038 -2.193 -2.450 1.00 0.00 C HETATM 16 O5 UNL 1 -0.650 -2.412 -2.402 1.00 0.00 O HETATM 17 C12 UNL 1 -2.908 -3.226 -2.811 1.00 0.00 C HETATM 18 C13 UNL 1 -4.284 -2.993 -2.851 1.00 0.00 C HETATM 19 O6 UNL 1 -5.101 -4.056 -3.201 1.00 0.00 O HETATM 20 C14 UNL 1 -4.788 -1.772 -2.549 1.00 0.00 C HETATM 21 C15 UNL 1 -3.961 -0.750 -2.198 1.00 0.00 C HETATM 22 O7 UNL 1 -4.362 0.514 -1.884 1.00 0.00 O HETATM 23 C16 UNL 1 -3.745 1.394 -1.059 1.00 0.00 C HETATM 24 C17 UNL 1 -3.945 2.803 -1.504 1.00 0.00 C HETATM 25 C18 UNL 1 -4.197 3.792 -0.522 1.00 0.00 C HETATM 26 C19 UNL 1 -4.358 5.108 -0.855 1.00 0.00 C HETATM 27 C20 UNL 1 -4.272 5.497 -2.192 1.00 0.00 C HETATM 28 O8 UNL 1 -4.435 6.845 -2.494 1.00 0.00 O HETATM 29 C21 UNL 1 -4.028 4.541 -3.146 1.00 0.00 C HETATM 30 O9 UNL 1 -3.939 4.908 -4.488 1.00 0.00 O HETATM 31 C22 UNL 1 -3.866 3.199 -2.796 1.00 0.00 C HETATM 32 C23 UNL 1 -2.252 1.125 -0.760 1.00 0.00 C HETATM 33 O10 UNL 1 -2.160 0.739 0.515 1.00 0.00 O HETATM 34 C24 UNL 1 -2.059 0.411 1.738 1.00 0.00 C HETATM 35 O11 UNL 1 -1.681 1.314 2.538 1.00 0.00 O HETATM 36 C25 UNL 1 -2.320 -0.921 2.350 1.00 0.00 C HETATM 37 C26 UNL 1 -2.851 -1.941 1.558 1.00 0.00 C HETATM 38 C27 UNL 1 -3.032 -3.236 2.052 1.00 0.00 C HETATM 39 O12 UNL 1 -3.534 -4.217 1.318 1.00 0.00 O HETATM 40 C28 UNL 1 -2.673 -3.540 3.387 1.00 0.00 C HETATM 41 O13 UNL 1 -2.861 -4.832 3.850 1.00 0.00 O HETATM 42 C29 UNL 1 -2.156 -2.531 4.149 1.00 0.00 C HETATM 43 O14 UNL 1 -1.795 -2.808 5.457 1.00 0.00 O HETATM 44 C30 UNL 1 -1.995 -1.254 3.613 1.00 0.00 C HETATM 45 C31 UNL 1 0.781 0.407 -1.951 1.00 0.00 C HETATM 46 O15 UNL 1 0.947 0.530 -0.549 1.00 0.00 O HETATM 47 C32 UNL 1 2.038 1.399 -0.213 1.00 0.00 C HETATM 48 C33 UNL 1 1.898 2.125 1.035 1.00 0.00 C HETATM 49 C34 UNL 1 0.695 2.893 1.237 1.00 0.00 C HETATM 50 C35 UNL 1 0.595 3.581 2.416 1.00 0.00 C HETATM 51 C36 UNL 1 1.558 3.579 3.395 1.00 0.00 C HETATM 52 O16 UNL 1 1.457 4.268 4.585 1.00 0.00 O HETATM 53 C37 UNL 1 2.693 2.848 3.186 1.00 0.00 C HETATM 54 O17 UNL 1 3.701 2.818 4.159 1.00 0.00 O HETATM 55 C38 UNL 1 2.805 2.152 2.003 1.00 0.00 C HETATM 56 C39 UNL 1 5.421 -1.807 1.309 1.00 0.00 C HETATM 57 C40 UNL 1 4.649 -2.872 1.493 1.00 0.00 C HETATM 58 C41 UNL 1 5.197 -4.025 2.196 1.00 0.00 C HETATM 59 O18 UNL 1 4.375 -5.084 2.364 1.00 0.00 O HETATM 60 C42 UNL 1 6.489 -3.899 2.605 1.00 0.00 C HETATM 61 O19 UNL 1 7.022 -5.024 3.288 1.00 0.00 O HETATM 62 C43 UNL 1 7.300 -2.824 2.428 1.00 0.00 C HETATM 63 O20 UNL 1 8.591 -2.766 2.865 1.00 0.00 O HETATM 64 C44 UNL 1 6.724 -1.717 1.738 1.00 0.00 C HETATM 65 H1 UNL 1 4.157 1.495 -0.467 1.00 0.00 H HETATM 66 H2 UNL 1 3.922 1.236 -2.616 1.00 0.00 H HETATM 67 H3 UNL 1 3.803 -0.510 -2.264 1.00 0.00 H HETATM 68 H4 UNL 1 2.918 0.316 -5.843 1.00 0.00 H HETATM 69 H5 UNL 1 0.580 0.201 -5.701 1.00 0.00 H HETATM 70 H6 UNL 1 -2.646 0.297 -4.306 1.00 0.00 H HETATM 71 H7 UNL 1 -1.129 -0.590 -0.789 1.00 0.00 H HETATM 72 H8 UNL 1 -0.338 -3.337 -2.641 1.00 0.00 H HETATM 73 H9 UNL 1 -2.542 -4.204 -3.080 1.00 0.00 H HETATM 74 H10 UNL 1 -5.399 -4.616 -2.376 1.00 0.00 H HETATM 75 H11 UNL 1 -5.852 -1.590 -2.592 1.00 0.00 H HETATM 76 H12 UNL 1 -4.285 1.326 -0.056 1.00 0.00 H HETATM 77 H13 UNL 1 -4.263 3.425 0.490 1.00 0.00 H HETATM 78 H14 UNL 1 -4.558 5.859 -0.105 1.00 0.00 H HETATM 79 H15 UNL 1 -4.612 7.510 -1.772 1.00 0.00 H HETATM 80 H16 UNL 1 -4.051 5.851 -4.770 1.00 0.00 H HETATM 81 H17 UNL 1 -3.686 2.462 -3.581 1.00 0.00 H HETATM 82 H18 UNL 1 -1.795 2.116 -0.937 1.00 0.00 H HETATM 83 H19 UNL 1 -3.130 -1.735 0.551 1.00 0.00 H HETATM 84 H20 UNL 1 -3.856 -4.984 0.954 1.00 0.00 H HETATM 85 H21 UNL 1 -3.242 -5.549 3.202 1.00 0.00 H HETATM 86 H22 UNL 1 -1.891 -3.737 5.830 1.00 0.00 H HETATM 87 H23 UNL 1 -1.578 -0.474 4.256 1.00 0.00 H HETATM 88 H24 UNL 1 1.951 2.276 -1.000 1.00 0.00 H HETATM 89 H25 UNL 1 -0.052 2.888 0.460 1.00 0.00 H HETATM 90 H26 UNL 1 -0.292 4.169 2.608 1.00 0.00 H HETATM 91 H27 UNL 1 0.700 4.835 4.887 1.00 0.00 H HETATM 92 H28 UNL 1 4.525 2.297 3.975 1.00 0.00 H HETATM 93 H29 UNL 1 3.757 1.587 1.926 1.00 0.00 H HETATM 94 H30 UNL 1 3.633 -2.941 1.161 1.00 0.00 H HETATM 95 H31 UNL 1 4.604 -5.942 2.842 1.00 0.00 H HETATM 96 H32 UNL 1 7.975 -4.951 3.587 1.00 0.00 H HETATM 97 H33 UNL 1 9.207 -1.968 2.735 1.00 0.00 H HETATM 98 H34 UNL 1 7.351 -0.864 1.603 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 56 CONECT 3 4 CONECT 4 5 47 65 CONECT 5 6 66 67 CONECT 6 7 7 45 CONECT 7 8 9 CONECT 8 68 CONECT 9 10 10 69 CONECT 10 11 12 CONECT 11 70 CONECT 12 13 45 45 CONECT 13 14 32 71 CONECT 14 15 15 21 CONECT 15 16 17 CONECT 16 72 CONECT 17 18 18 73 CONECT 18 19 20 CONECT 19 74 CONECT 20 21 21 75 CONECT 21 22 CONECT 22 23 CONECT 23 24 32 76 CONECT 24 25 25 31 CONECT 25 26 77 CONECT 26 27 27 78 CONECT 27 28 29 CONECT 28 79 CONECT 29 30 31 31 CONECT 30 80 CONECT 31 81 CONECT 32 33 82 CONECT 33 34 CONECT 34 35 35 36 CONECT 36 37 37 44 CONECT 37 38 83 CONECT 38 39 40 40 CONECT 39 84 CONECT 40 41 42 CONECT 41 85 CONECT 42 43 44 44 CONECT 43 86 CONECT 44 87 CONECT 45 46 CONECT 46 47 CONECT 47 48 88 CONECT 48 49 49 55 CONECT 49 50 89 CONECT 50 51 51 90 CONECT 51 52 53 CONECT 52 91 CONECT 53 54 55 55 CONECT 54 92 CONECT 55 93 CONECT 56 57 57 64 CONECT 57 58 94 CONECT 58 59 60 60 CONECT 59 95 CONECT 60 61 62 CONECT 61 96 CONECT 62 63 64 64 CONECT 63 97 CONECT 64 98 END