COMPND HMDB0013626 HETATM 1 C1 UNL 1 8.439 1.823 -0.584 1.00 0.00 C HETATM 2 C2 UNL 1 7.293 2.463 -1.316 1.00 0.00 C HETATM 3 C3 UNL 1 6.607 1.600 -2.298 1.00 0.00 C HETATM 4 C4 UNL 1 6.022 0.314 -1.873 1.00 0.00 C HETATM 5 C5 UNL 1 4.959 0.253 -0.856 1.00 0.00 C HETATM 6 C6 UNL 1 5.230 0.701 0.499 1.00 0.00 C HETATM 7 C7 UNL 1 5.162 -0.104 1.536 1.00 0.00 C HETATM 8 C8 UNL 1 4.815 -1.518 1.447 1.00 0.00 C HETATM 9 C9 UNL 1 3.586 -1.862 2.206 1.00 0.00 C HETATM 10 C10 UNL 1 2.467 -2.374 1.730 1.00 0.00 C HETATM 11 C11 UNL 1 2.297 -2.677 0.338 1.00 0.00 C HETATM 12 C12 UNL 1 1.298 -2.076 -0.494 1.00 0.00 C HETATM 13 C13 UNL 1 0.411 -1.167 -0.209 1.00 0.00 C HETATM 14 C14 UNL 1 0.259 -0.546 1.087 1.00 0.00 C HETATM 15 C15 UNL 1 -0.933 -0.729 1.902 1.00 0.00 C HETATM 16 C16 UNL 1 -1.966 -1.451 1.677 1.00 0.00 C HETATM 17 C17 UNL 1 -2.238 -2.297 0.534 1.00 0.00 C HETATM 18 C18 UNL 1 -3.551 -1.763 -0.087 1.00 0.00 C HETATM 19 C19 UNL 1 -3.317 -0.345 -0.474 1.00 0.00 C HETATM 20 C20 UNL 1 -4.563 0.270 -1.082 1.00 0.00 C HETATM 21 C21 UNL 1 -5.672 0.218 -0.072 1.00 0.00 C HETATM 22 C22 UNL 1 -6.911 0.821 -0.638 1.00 0.00 C HETATM 23 O1 UNL 1 -6.887 1.275 -1.821 1.00 0.00 O HETATM 24 N1 UNL 1 -8.076 0.870 0.158 1.00 0.00 N HETATM 25 C23 UNL 1 -9.276 1.448 -0.373 1.00 0.00 C HETATM 26 C24 UNL 1 -9.106 2.902 -0.769 1.00 0.00 C HETATM 27 O2 UNL 1 -8.735 3.667 0.327 1.00 0.00 O HETATM 28 H1 UNL 1 9.289 1.622 -1.264 1.00 0.00 H HETATM 29 H2 UNL 1 8.174 0.872 -0.093 1.00 0.00 H HETATM 30 H3 UNL 1 8.812 2.586 0.150 1.00 0.00 H HETATM 31 H4 UNL 1 6.610 3.039 -0.714 1.00 0.00 H HETATM 32 H5 UNL 1 7.817 3.267 -1.975 1.00 0.00 H HETATM 33 H6 UNL 1 7.289 1.358 -3.184 1.00 0.00 H HETATM 34 H7 UNL 1 5.799 2.219 -2.780 1.00 0.00 H HETATM 35 H8 UNL 1 5.678 -0.182 -2.853 1.00 0.00 H HETATM 36 H9 UNL 1 6.832 -0.415 -1.553 1.00 0.00 H HETATM 37 H10 UNL 1 4.408 -0.725 -0.928 1.00 0.00 H HETATM 38 H11 UNL 1 4.129 0.966 -1.275 1.00 0.00 H HETATM 39 H12 UNL 1 5.487 1.769 0.675 1.00 0.00 H HETATM 40 H13 UNL 1 5.384 0.330 2.530 1.00 0.00 H HETATM 41 H14 UNL 1 4.905 -1.904 0.451 1.00 0.00 H HETATM 42 H15 UNL 1 5.697 -2.044 2.012 1.00 0.00 H HETATM 43 H16 UNL 1 3.628 -1.660 3.296 1.00 0.00 H HETATM 44 H17 UNL 1 1.639 -2.589 2.458 1.00 0.00 H HETATM 45 H18 UNL 1 3.322 -2.724 -0.173 1.00 0.00 H HETATM 46 H19 UNL 1 2.070 -3.830 0.326 1.00 0.00 H HETATM 47 H20 UNL 1 1.250 -2.429 -1.577 1.00 0.00 H HETATM 48 H21 UNL 1 -0.268 -0.800 -1.061 1.00 0.00 H HETATM 49 H22 UNL 1 0.155 0.625 0.808 1.00 0.00 H HETATM 50 H23 UNL 1 1.188 -0.455 1.705 1.00 0.00 H HETATM 51 H24 UNL 1 -0.922 -0.128 2.887 1.00 0.00 H HETATM 52 H25 UNL 1 -2.760 -1.406 2.495 1.00 0.00 H HETATM 53 H26 UNL 1 -1.554 -2.415 -0.266 1.00 0.00 H HETATM 54 H27 UNL 1 -2.603 -3.344 0.898 1.00 0.00 H HETATM 55 H28 UNL 1 -3.788 -2.429 -0.927 1.00 0.00 H HETATM 56 H29 UNL 1 -4.278 -1.849 0.747 1.00 0.00 H HETATM 57 H30 UNL 1 -2.931 0.225 0.388 1.00 0.00 H HETATM 58 H31 UNL 1 -2.534 -0.280 -1.283 1.00 0.00 H HETATM 59 H32 UNL 1 -4.362 1.303 -1.415 1.00 0.00 H HETATM 60 H33 UNL 1 -4.800 -0.320 -1.983 1.00 0.00 H HETATM 61 H34 UNL 1 -5.352 0.728 0.858 1.00 0.00 H HETATM 62 H35 UNL 1 -5.929 -0.865 0.107 1.00 0.00 H HETATM 63 H36 UNL 1 -8.056 0.491 1.113 1.00 0.00 H HETATM 64 H37 UNL 1 -10.074 1.395 0.394 1.00 0.00 H HETATM 65 H38 UNL 1 -9.620 0.847 -1.241 1.00 0.00 H HETATM 66 H39 UNL 1 -8.390 3.045 -1.594 1.00 0.00 H HETATM 67 H40 UNL 1 -10.093 3.265 -1.127 1.00 0.00 H HETATM 68 H41 UNL 1 -8.865 3.125 1.169 1.00 0.00 H CONECT 1 2 28 29 30 CONECT 2 3 31 32 CONECT 3 4 33 34 CONECT 4 5 35 36 CONECT 5 6 37 38 CONECT 6 7 7 39 CONECT 7 8 40 CONECT 8 9 41 42 CONECT 9 10 10 43 CONECT 10 11 44 CONECT 11 12 45 46 CONECT 12 13 13 47 CONECT 13 14 48 CONECT 14 15 49 50 CONECT 15 16 16 51 CONECT 16 17 52 CONECT 17 18 53 54 CONECT 18 19 55 56 CONECT 19 20 57 58 CONECT 20 21 59 60 CONECT 21 22 61 62 CONECT 22 23 23 24 CONECT 24 25 63 CONECT 25 26 64 65 CONECT 26 27 66 67 CONECT 27 68 END