COMPND HMDB0060979 HETATM 1 C1 UNL 1 5.246 -3.855 -0.172 1.00 0.00 C HETATM 2 C2 UNL 1 6.016 -2.813 -0.954 1.00 0.00 C HETATM 3 O1 UNL 1 6.101 -1.611 -0.275 1.00 0.00 O HETATM 4 C3 UNL 1 5.013 -0.846 0.095 1.00 0.00 C HETATM 5 C4 UNL 1 3.692 -1.195 -0.171 1.00 0.00 C HETATM 6 C5 UNL 1 2.638 -0.416 0.210 1.00 0.00 C HETATM 7 C6 UNL 1 1.216 -0.764 -0.023 1.00 0.00 C HETATM 8 C7 UNL 1 0.351 -0.261 1.072 1.00 0.00 C HETATM 9 O2 UNL 1 0.737 -0.693 2.366 1.00 0.00 O HETATM 10 N1 UNL 1 -0.624 0.469 0.891 1.00 0.00 N HETATM 11 C8 UNL 1 -1.300 1.081 -0.191 1.00 0.00 C HETATM 12 C9 UNL 1 -0.656 2.120 -0.959 1.00 0.00 C HETATM 13 C10 UNL 1 -0.133 3.420 -0.693 1.00 0.00 C HETATM 14 C11 UNL 1 0.903 3.716 0.319 1.00 0.00 C HETATM 15 C12 UNL 1 -0.971 4.659 -0.962 1.00 0.00 C HETATM 16 C13 UNL 1 -2.705 1.426 0.266 1.00 0.00 C HETATM 17 C14 UNL 1 -3.102 2.658 0.682 1.00 0.00 C HETATM 18 C15 UNL 1 -4.415 2.844 1.189 1.00 0.00 C HETATM 19 C16 UNL 1 -5.316 1.822 1.278 1.00 0.00 C HETATM 20 C17 UNL 1 -4.920 0.579 0.860 1.00 0.00 C HETATM 21 C18 UNL 1 -3.615 0.386 0.356 1.00 0.00 C HETATM 22 N2 UNL 1 -3.243 -0.909 -0.058 1.00 0.00 N HETATM 23 C19 UNL 1 -2.701 -1.854 0.925 1.00 0.00 C HETATM 24 C20 UNL 1 -3.747 -2.981 1.074 1.00 0.00 C HETATM 25 C21 UNL 1 -4.025 -3.601 -0.261 1.00 0.00 C HETATM 26 C22 UNL 1 -4.313 -2.646 -1.364 1.00 0.00 C HETATM 27 O3 UNL 1 -5.656 -2.235 -1.342 1.00 0.00 O HETATM 28 C23 UNL 1 -3.365 -1.448 -1.402 1.00 0.00 C HETATM 29 C24 UNL 1 2.916 0.746 0.881 1.00 0.00 C HETATM 30 C25 UNL 1 4.221 1.126 1.161 1.00 0.00 C HETATM 31 C26 UNL 1 5.288 0.344 0.777 1.00 0.00 C HETATM 32 C27 UNL 1 6.683 0.710 1.075 1.00 0.00 C HETATM 33 O4 UNL 1 7.610 -0.062 0.755 1.00 0.00 O HETATM 34 O5 UNL 1 6.965 1.905 1.702 1.00 0.00 O HETATM 35 H1 UNL 1 4.372 -4.246 -0.720 1.00 0.00 H HETATM 36 H2 UNL 1 4.954 -3.488 0.844 1.00 0.00 H HETATM 37 H3 UNL 1 5.913 -4.745 0.044 1.00 0.00 H HETATM 38 H4 UNL 1 7.027 -3.209 -1.216 1.00 0.00 H HETATM 39 H5 UNL 1 5.473 -2.671 -1.921 1.00 0.00 H HETATM 40 H6 UNL 1 3.502 -2.100 -0.698 1.00 0.00 H HETATM 41 H7 UNL 1 0.923 -0.427 -1.019 1.00 0.00 H HETATM 42 H8 UNL 1 1.189 -1.897 0.008 1.00 0.00 H HETATM 43 H9 UNL 1 1.063 -1.630 2.498 1.00 0.00 H HETATM 44 H10 UNL 1 -1.493 0.216 -0.922 1.00 0.00 H HETATM 45 H11 UNL 1 0.083 1.561 -1.697 1.00 0.00 H HETATM 46 H12 UNL 1 -1.473 2.332 -1.818 1.00 0.00 H HETATM 47 H13 UNL 1 0.601 3.554 -1.695 1.00 0.00 H HETATM 48 H14 UNL 1 1.946 3.382 0.024 1.00 0.00 H HETATM 49 H15 UNL 1 0.660 3.511 1.358 1.00 0.00 H HETATM 50 H16 UNL 1 1.041 4.847 0.292 1.00 0.00 H HETATM 51 H17 UNL 1 -1.917 4.325 -1.412 1.00 0.00 H HETATM 52 H18 UNL 1 -1.091 5.247 -0.018 1.00 0.00 H HETATM 53 H19 UNL 1 -0.523 5.371 -1.686 1.00 0.00 H HETATM 54 H20 UNL 1 -2.492 3.500 0.702 1.00 0.00 H HETATM 55 H21 UNL 1 -4.692 3.849 1.510 1.00 0.00 H HETATM 56 H22 UNL 1 -6.329 1.959 1.664 1.00 0.00 H HETATM 57 H23 UNL 1 -5.580 -0.299 0.897 1.00 0.00 H HETATM 58 H24 UNL 1 -1.774 -2.332 0.594 1.00 0.00 H HETATM 59 H25 UNL 1 -2.538 -1.439 1.909 1.00 0.00 H HETATM 60 H26 UNL 1 -4.700 -2.566 1.510 1.00 0.00 H HETATM 61 H27 UNL 1 -3.296 -3.741 1.731 1.00 0.00 H HETATM 62 H28 UNL 1 -3.146 -4.256 -0.508 1.00 0.00 H HETATM 63 H29 UNL 1 -4.930 -4.270 -0.153 1.00 0.00 H HETATM 64 H30 UNL 1 -4.172 -3.190 -2.338 1.00 0.00 H HETATM 65 H31 UNL 1 -6.059 -2.236 -0.455 1.00 0.00 H HETATM 66 H32 UNL 1 -3.790 -0.704 -2.097 1.00 0.00 H HETATM 67 H33 UNL 1 -2.400 -1.832 -1.771 1.00 0.00 H HETATM 68 H34 UNL 1 2.111 1.371 1.222 1.00 0.00 H HETATM 69 H35 UNL 1 4.433 2.059 1.690 1.00 0.00 H HETATM 70 H36 UNL 1 6.314 2.372 2.290 1.00 0.00 H CONECT 1 2 35 36 37 CONECT 2 3 38 39 CONECT 3 4 CONECT 4 5 5 31 CONECT 5 6 40 CONECT 6 7 29 29 CONECT 7 8 41 42 CONECT 8 9 10 10 CONECT 9 43 CONECT 10 11 CONECT 11 12 16 44 CONECT 12 13 45 46 CONECT 13 14 15 47 CONECT 14 48 49 50 CONECT 15 51 52 53 CONECT 16 17 17 21 CONECT 17 18 54 CONECT 18 19 19 55 CONECT 19 20 56 CONECT 20 21 21 57 CONECT 21 22 CONECT 22 23 28 CONECT 23 24 58 59 CONECT 24 25 60 61 CONECT 25 26 62 63 CONECT 26 27 28 64 CONECT 27 65 CONECT 28 66 67 CONECT 29 30 68 CONECT 30 31 31 69 CONECT 31 32 CONECT 32 33 33 34 CONECT 34 70 END