COMPND HMDB0032685 HETATM 1 C1 UNL 1 5.017 -2.858 0.765 1.00 0.00 C HETATM 2 C2 UNL 1 4.709 -1.432 0.499 1.00 0.00 C HETATM 3 C3 UNL 1 5.610 -0.667 -0.084 1.00 0.00 C HETATM 4 C4 UNL 1 6.917 -1.250 -0.462 1.00 0.00 C HETATM 5 C5 UNL 1 5.330 0.758 -0.371 1.00 0.00 C HETATM 6 O1 UNL 1 6.192 1.498 -0.929 1.00 0.00 O HETATM 7 O2 UNL 1 4.070 1.195 0.019 1.00 0.00 O HETATM 8 C6 UNL 1 3.022 0.245 -0.015 1.00 0.00 C HETATM 9 C7 UNL 1 1.724 0.822 0.500 1.00 0.00 C HETATM 10 C8 UNL 1 2.042 1.314 1.904 1.00 0.00 C HETATM 11 O3 UNL 1 0.748 -0.135 0.440 1.00 0.00 O HETATM 12 C9 UNL 1 -0.209 0.262 -0.532 1.00 0.00 C HETATM 13 C10 UNL 1 0.414 0.347 -1.878 1.00 0.00 C HETATM 14 C11 UNL 1 1.309 1.587 -1.750 1.00 0.00 C HETATM 15 C12 UNL 1 1.174 1.959 -0.264 1.00 0.00 C HETATM 16 O4 UNL 1 1.566 3.196 0.042 1.00 0.00 O HETATM 17 C13 UNL 1 -0.340 1.714 -0.135 1.00 0.00 C HETATM 18 C14 UNL 1 -1.016 2.620 -1.055 1.00 0.00 C HETATM 19 C15 UNL 1 -0.840 1.688 1.261 1.00 0.00 C HETATM 20 C16 UNL 1 -2.299 1.206 1.184 1.00 0.00 C HETATM 21 C17 UNL 1 -2.381 -0.200 0.657 1.00 0.00 C HETATM 22 C18 UNL 1 -1.409 -0.575 -0.380 1.00 0.00 C HETATM 23 C19 UNL 1 -2.018 -0.781 -1.773 1.00 0.00 C HETATM 24 C20 UNL 1 -3.161 -1.708 -1.665 1.00 0.00 C HETATM 25 C21 UNL 1 -4.007 -1.541 -0.672 1.00 0.00 C HETATM 26 C22 UNL 1 -5.128 -2.459 -0.577 1.00 0.00 C HETATM 27 C23 UNL 1 -6.052 -2.405 0.365 1.00 0.00 C HETATM 28 C24 UNL 1 -5.975 -1.342 1.423 1.00 0.00 C HETATM 29 C25 UNL 1 -4.566 -0.867 1.554 1.00 0.00 C HETATM 30 O5 UNL 1 -4.029 -0.811 2.660 1.00 0.00 O HETATM 31 C26 UNL 1 -3.844 -0.468 0.313 1.00 0.00 C HETATM 32 C27 UNL 1 -4.540 0.779 -0.184 1.00 0.00 C HETATM 33 C28 UNL 1 3.383 -0.922 0.914 1.00 0.00 C HETATM 34 H1 UNL 1 6.002 -2.948 1.306 1.00 0.00 H HETATM 35 H2 UNL 1 4.278 -3.350 1.396 1.00 0.00 H HETATM 36 H3 UNL 1 5.100 -3.450 -0.188 1.00 0.00 H HETATM 37 H4 UNL 1 6.786 -2.198 -1.029 1.00 0.00 H HETATM 38 H5 UNL 1 7.534 -0.537 -1.038 1.00 0.00 H HETATM 39 H6 UNL 1 7.495 -1.533 0.453 1.00 0.00 H HETATM 40 H7 UNL 1 2.977 -0.188 -1.005 1.00 0.00 H HETATM 41 H8 UNL 1 3.129 1.588 1.982 1.00 0.00 H HETATM 42 H9 UNL 1 1.867 0.559 2.678 1.00 0.00 H HETATM 43 H10 UNL 1 1.522 2.294 2.120 1.00 0.00 H HETATM 44 H11 UNL 1 0.952 -0.540 -2.216 1.00 0.00 H HETATM 45 H12 UNL 1 -0.377 0.528 -2.638 1.00 0.00 H HETATM 46 H13 UNL 1 2.336 1.416 -2.057 1.00 0.00 H HETATM 47 H14 UNL 1 0.819 2.410 -2.311 1.00 0.00 H HETATM 48 H15 UNL 1 2.040 3.715 -0.657 1.00 0.00 H HETATM 49 H16 UNL 1 -2.004 3.042 -0.700 1.00 0.00 H HETATM 50 H17 UNL 1 -1.204 2.293 -2.078 1.00 0.00 H HETATM 51 H18 UNL 1 -0.394 3.563 -1.155 1.00 0.00 H HETATM 52 H19 UNL 1 -0.833 2.626 1.802 1.00 0.00 H HETATM 53 H20 UNL 1 -0.353 0.835 1.814 1.00 0.00 H HETATM 54 H21 UNL 1 -2.627 1.227 2.270 1.00 0.00 H HETATM 55 H22 UNL 1 -2.957 1.928 0.693 1.00 0.00 H HETATM 56 H23 UNL 1 -2.191 -0.859 1.561 1.00 0.00 H HETATM 57 H24 UNL 1 -1.011 -1.622 -0.166 1.00 0.00 H HETATM 58 H25 UNL 1 -1.225 -1.299 -2.378 1.00 0.00 H HETATM 59 H26 UNL 1 -2.353 0.148 -2.226 1.00 0.00 H HETATM 60 H27 UNL 1 -3.278 -2.489 -2.390 1.00 0.00 H HETATM 61 H28 UNL 1 -5.266 -3.272 -1.309 1.00 0.00 H HETATM 62 H29 UNL 1 -6.876 -3.092 0.423 1.00 0.00 H HETATM 63 H30 UNL 1 -6.274 -1.830 2.374 1.00 0.00 H HETATM 64 H31 UNL 1 -6.667 -0.543 1.102 1.00 0.00 H HETATM 65 H32 UNL 1 -4.917 1.386 0.668 1.00 0.00 H HETATM 66 H33 UNL 1 -5.483 0.407 -0.688 1.00 0.00 H HETATM 67 H34 UNL 1 -4.001 1.330 -0.946 1.00 0.00 H HETATM 68 H35 UNL 1 3.451 -0.613 1.958 1.00 0.00 H HETATM 69 H36 UNL 1 2.589 -1.706 0.800 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 3 33 CONECT 3 4 5 CONECT 4 37 38 39 CONECT 5 6 6 7 CONECT 7 8 CONECT 8 9 33 40 CONECT 9 10 11 15 CONECT 10 41 42 43 CONECT 11 12 CONECT 12 13 17 22 CONECT 13 14 44 45 CONECT 14 15 46 47 CONECT 15 16 17 CONECT 16 48 CONECT 17 18 19 CONECT 18 49 50 51 CONECT 19 20 52 53 CONECT 20 21 54 55 CONECT 21 22 31 56 CONECT 22 23 57 CONECT 23 24 58 59 CONECT 24 25 25 60 CONECT 25 26 31 CONECT 26 27 27 61 CONECT 27 28 62 CONECT 28 29 63 64 CONECT 29 30 30 31 CONECT 31 32 CONECT 32 65 66 67 CONECT 33 68 69 END