COMPND HMDB0037487 HETATM 1 C1 UNL 1 8.286 5.392 0.226 1.00 0.00 C HETATM 2 O1 UNL 1 8.539 4.031 0.040 1.00 0.00 O HETATM 3 C2 UNL 1 7.582 3.065 -0.221 1.00 0.00 C HETATM 4 C3 UNL 1 6.233 3.323 -0.334 1.00 0.00 C HETATM 5 C4 UNL 1 5.313 2.348 -0.593 1.00 0.00 C HETATM 6 C5 UNL 1 5.710 1.024 -0.756 1.00 0.00 C HETATM 7 C6 UNL 1 4.734 -0.059 -1.038 1.00 0.00 C HETATM 8 C7 UNL 1 4.431 -0.157 -2.499 1.00 0.00 C HETATM 9 C8 UNL 1 3.123 -0.782 -2.780 1.00 0.00 C HETATM 10 O2 UNL 1 2.844 -1.093 -3.951 1.00 0.00 O HETATM 11 C9 UNL 1 2.133 -1.057 -1.748 1.00 0.00 C HETATM 12 C10 UNL 1 0.971 -1.724 -2.051 1.00 0.00 C HETATM 13 O3 UNL 1 0.708 -2.151 -3.335 1.00 0.00 O HETATM 14 C11 UNL 1 0.058 -1.968 -1.057 1.00 0.00 C HETATM 15 C12 UNL 1 0.266 -1.567 0.233 1.00 0.00 C HETATM 16 O4 UNL 1 -0.605 -1.784 1.246 1.00 0.00 O HETATM 17 C13 UNL 1 -1.829 -2.399 1.167 1.00 0.00 C HETATM 18 O5 UNL 1 -1.799 -3.552 1.969 1.00 0.00 O HETATM 19 C14 UNL 1 -2.841 -4.404 1.595 1.00 0.00 C HETATM 20 C15 UNL 1 -2.725 -5.646 2.430 1.00 0.00 C HETATM 21 O6 UNL 1 -3.732 -6.564 2.128 1.00 0.00 O HETATM 22 C16 UNL 1 -4.124 -3.684 1.890 1.00 0.00 C HETATM 23 O7 UNL 1 -4.849 -4.406 2.859 1.00 0.00 O HETATM 24 C17 UNL 1 -3.954 -2.299 2.411 1.00 0.00 C HETATM 25 O8 UNL 1 -5.211 -1.652 2.320 1.00 0.00 O HETATM 26 C18 UNL 1 -2.961 -1.484 1.649 1.00 0.00 C HETATM 27 O9 UNL 1 -3.472 -0.841 0.540 1.00 0.00 O HETATM 28 C19 UNL 1 -3.277 0.537 0.595 1.00 0.00 C HETATM 29 O10 UNL 1 -4.536 1.134 0.606 1.00 0.00 O HETATM 30 C20 UNL 1 -4.445 2.510 0.408 1.00 0.00 C HETATM 31 C21 UNL 1 -5.826 3.089 0.600 1.00 0.00 C HETATM 32 C22 UNL 1 -3.955 2.862 -0.962 1.00 0.00 C HETATM 33 O11 UNL 1 -3.160 4.023 -0.945 1.00 0.00 O HETATM 34 C23 UNL 1 -3.162 1.761 -1.600 1.00 0.00 C HETATM 35 O12 UNL 1 -2.225 2.361 -2.462 1.00 0.00 O HETATM 36 C24 UNL 1 -2.446 0.950 -0.571 1.00 0.00 C HETATM 37 O13 UNL 1 -1.316 1.694 -0.158 1.00 0.00 O HETATM 38 C25 UNL 1 1.475 -0.883 0.507 1.00 0.00 C HETATM 39 C26 UNL 1 2.399 -0.630 -0.475 1.00 0.00 C HETATM 40 O14 UNL 1 3.588 0.038 -0.233 1.00 0.00 O HETATM 41 C27 UNL 1 7.069 0.778 -0.640 1.00 0.00 C HETATM 42 C28 UNL 1 7.998 1.755 -0.380 1.00 0.00 C HETATM 43 H1 UNL 1 8.139 5.961 -0.704 1.00 0.00 H HETATM 44 H2 UNL 1 9.064 5.872 0.838 1.00 0.00 H HETATM 45 H3 UNL 1 7.328 5.495 0.812 1.00 0.00 H HETATM 46 H4 UNL 1 5.926 4.361 -0.206 1.00 0.00 H HETATM 47 H5 UNL 1 4.278 2.565 -0.677 1.00 0.00 H HETATM 48 H6 UNL 1 5.240 -1.023 -0.741 1.00 0.00 H HETATM 49 H7 UNL 1 5.199 -0.672 -3.093 1.00 0.00 H HETATM 50 H8 UNL 1 4.352 0.890 -2.912 1.00 0.00 H HETATM 51 H9 UNL 1 -0.137 -2.632 -3.535 1.00 0.00 H HETATM 52 H10 UNL 1 -0.851 -2.500 -1.336 1.00 0.00 H HETATM 53 H11 UNL 1 -2.086 -2.685 0.136 1.00 0.00 H HETATM 54 H12 UNL 1 -2.832 -4.635 0.513 1.00 0.00 H HETATM 55 H13 UNL 1 -2.783 -5.426 3.495 1.00 0.00 H HETATM 56 H14 UNL 1 -1.713 -6.118 2.259 1.00 0.00 H HETATM 57 H15 UNL 1 -4.179 -6.352 1.277 1.00 0.00 H HETATM 58 H16 UNL 1 -4.813 -3.636 1.000 1.00 0.00 H HETATM 59 H17 UNL 1 -4.447 -4.180 3.751 1.00 0.00 H HETATM 60 H18 UNL 1 -3.680 -2.388 3.494 1.00 0.00 H HETATM 61 H19 UNL 1 -5.566 -1.829 1.409 1.00 0.00 H HETATM 62 H20 UNL 1 -2.510 -0.766 2.378 1.00 0.00 H HETATM 63 H21 UNL 1 -2.734 0.742 1.557 1.00 0.00 H HETATM 64 H22 UNL 1 -3.776 2.963 1.175 1.00 0.00 H HETATM 65 H23 UNL 1 -5.786 4.166 0.339 1.00 0.00 H HETATM 66 H24 UNL 1 -6.502 2.573 -0.114 1.00 0.00 H HETATM 67 H25 UNL 1 -6.207 2.907 1.630 1.00 0.00 H HETATM 68 H26 UNL 1 -4.806 3.107 -1.662 1.00 0.00 H HETATM 69 H27 UNL 1 -3.055 4.274 -1.909 1.00 0.00 H HETATM 70 H28 UNL 1 -3.866 1.118 -2.156 1.00 0.00 H HETATM 71 H29 UNL 1 -2.751 2.602 -3.273 1.00 0.00 H HETATM 72 H30 UNL 1 -2.008 0.062 -1.120 1.00 0.00 H HETATM 73 H31 UNL 1 -1.540 2.641 0.014 1.00 0.00 H HETATM 74 H32 UNL 1 1.666 -0.560 1.499 1.00 0.00 H HETATM 75 H33 UNL 1 7.379 -0.259 -0.768 1.00 0.00 H HETATM 76 H34 UNL 1 9.043 1.474 -0.305 1.00 0.00 H CONECT 1 2 43 44 45 CONECT 2 3 CONECT 3 4 4 42 CONECT 4 5 46 CONECT 5 6 6 47 CONECT 6 7 41 CONECT 7 8 40 48 CONECT 8 9 49 50 CONECT 9 10 10 11 CONECT 11 12 12 39 CONECT 12 13 14 CONECT 13 51 CONECT 14 15 15 52 CONECT 15 16 38 CONECT 16 17 CONECT 17 18 26 53 CONECT 18 19 CONECT 19 20 22 54 CONECT 20 21 55 56 CONECT 21 57 CONECT 22 23 24 58 CONECT 23 59 CONECT 24 25 26 60 CONECT 25 61 CONECT 26 27 62 CONECT 27 28 CONECT 28 29 36 63 CONECT 29 30 CONECT 30 31 32 64 CONECT 31 65 66 67 CONECT 32 33 34 68 CONECT 33 69 CONECT 34 35 36 70 CONECT 35 71 CONECT 36 37 72 CONECT 37 73 CONECT 38 39 39 74 CONECT 39 40 CONECT 41 42 42 75 CONECT 42 76 END