COMPND HMDB0033762 HETATM 1 C1 UNL 1 8.204 -3.438 2.488 1.00 0.00 C HETATM 2 O1 UNL 1 7.097 -2.566 2.596 1.00 0.00 O HETATM 3 C2 UNL 1 6.249 -2.324 1.509 1.00 0.00 C HETATM 4 C3 UNL 1 6.486 -2.942 0.304 1.00 0.00 C HETATM 5 C4 UNL 1 5.643 -2.695 -0.757 1.00 0.00 C HETATM 6 O2 UNL 1 5.822 -3.286 -2.006 1.00 0.00 O HETATM 7 C5 UNL 1 4.558 -1.821 -0.599 1.00 0.00 C HETATM 8 C6 UNL 1 3.701 -1.557 -1.644 1.00 0.00 C HETATM 9 O3 UNL 1 3.892 -2.101 -2.742 1.00 0.00 O HETATM 10 C7 UNL 1 2.639 -0.675 -1.416 1.00 0.00 C HETATM 11 C8 UNL 1 2.435 -0.077 -0.198 1.00 0.00 C HETATM 12 C9 UNL 1 1.344 0.851 0.096 1.00 0.00 C HETATM 13 C10 UNL 1 1.204 1.417 1.357 1.00 0.00 C HETATM 14 C11 UNL 1 0.192 2.294 1.675 1.00 0.00 C HETATM 15 C12 UNL 1 -0.740 2.648 0.723 1.00 0.00 C HETATM 16 O4 UNL 1 -1.773 3.546 1.058 1.00 0.00 O HETATM 17 C13 UNL 1 -1.835 4.072 2.369 1.00 0.00 C HETATM 18 C14 UNL 1 -0.633 2.107 -0.538 1.00 0.00 C HETATM 19 C15 UNL 1 -1.620 2.489 -1.522 1.00 0.00 C HETATM 20 C16 UNL 1 -1.375 3.590 -2.309 1.00 0.00 C HETATM 21 O5 UNL 1 -0.181 4.337 -2.163 1.00 0.00 O HETATM 22 C17 UNL 1 -2.286 3.978 -3.248 1.00 0.00 C HETATM 23 C18 UNL 1 -3.480 3.238 -3.399 1.00 0.00 C HETATM 24 O6 UNL 1 -4.353 3.672 -4.353 1.00 0.00 O HETATM 25 C19 UNL 1 -3.715 2.138 -2.606 1.00 0.00 C HETATM 26 C20 UNL 1 -4.879 1.421 -2.759 1.00 0.00 C HETATM 27 O7 UNL 1 -5.775 1.706 -3.597 1.00 0.00 O HETATM 28 C21 UNL 1 -5.096 0.304 -1.938 1.00 0.00 C HETATM 29 C22 UNL 1 -4.137 -0.018 -1.025 1.00 0.00 C HETATM 30 C23 UNL 1 -4.333 -1.171 -0.159 1.00 0.00 C HETATM 31 C24 UNL 1 -3.358 -1.495 0.765 1.00 0.00 C HETATM 32 C25 UNL 1 -3.522 -2.589 1.600 1.00 0.00 C HETATM 33 C26 UNL 1 -4.644 -3.359 1.522 1.00 0.00 C HETATM 34 O8 UNL 1 -4.839 -4.463 2.345 1.00 0.00 O HETATM 35 C27 UNL 1 -5.623 -3.051 0.608 1.00 0.00 C HETATM 36 C28 UNL 1 -5.446 -1.941 -0.232 1.00 0.00 C HETATM 37 O9 UNL 1 -3.034 0.705 -0.919 1.00 0.00 O HETATM 38 C29 UNL 1 -2.775 1.747 -1.646 1.00 0.00 C HETATM 39 C30 UNL 1 0.399 1.224 -0.830 1.00 0.00 C HETATM 40 O10 UNL 1 3.291 -0.371 0.762 1.00 0.00 O HETATM 41 C31 UNL 1 4.305 -1.192 0.602 1.00 0.00 C HETATM 42 C32 UNL 1 5.172 -1.466 1.642 1.00 0.00 C HETATM 43 H1 UNL 1 7.998 -4.357 1.939 1.00 0.00 H HETATM 44 H2 UNL 1 8.460 -3.751 3.539 1.00 0.00 H HETATM 45 H3 UNL 1 9.121 -2.902 2.131 1.00 0.00 H HETATM 46 H4 UNL 1 7.305 -3.606 0.173 1.00 0.00 H HETATM 47 H5 UNL 1 6.610 -3.913 -2.103 1.00 0.00 H HETATM 48 H6 UNL 1 1.976 -0.470 -2.224 1.00 0.00 H HETATM 49 H7 UNL 1 1.923 1.150 2.107 1.00 0.00 H HETATM 50 H8 UNL 1 0.094 2.732 2.672 1.00 0.00 H HETATM 51 H9 UNL 1 -2.728 4.709 2.469 1.00 0.00 H HETATM 52 H10 UNL 1 -1.817 3.261 3.148 1.00 0.00 H HETATM 53 H11 UNL 1 -0.956 4.730 2.541 1.00 0.00 H HETATM 54 H12 UNL 1 0.014 5.132 -2.720 1.00 0.00 H HETATM 55 H13 UNL 1 -2.114 4.838 -3.877 1.00 0.00 H HETATM 56 H14 UNL 1 -5.197 3.448 -4.719 1.00 0.00 H HETATM 57 H15 UNL 1 -6.032 -0.230 -2.097 1.00 0.00 H HETATM 58 H16 UNL 1 -2.475 -0.863 0.804 1.00 0.00 H HETATM 59 H17 UNL 1 -2.766 -2.850 2.326 1.00 0.00 H HETATM 60 H18 UNL 1 -5.302 -4.361 3.238 1.00 0.00 H HETATM 61 H19 UNL 1 -6.500 -3.662 0.554 1.00 0.00 H HETATM 62 H20 UNL 1 -6.243 -1.755 -0.921 1.00 0.00 H HETATM 63 H21 UNL 1 0.475 0.799 -1.837 1.00 0.00 H HETATM 64 H22 UNL 1 4.973 -0.967 2.598 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 7 7 CONECT 6 47 CONECT 7 8 41 CONECT 8 9 9 10 CONECT 10 11 11 48 CONECT 11 12 40 CONECT 12 13 13 39 CONECT 13 14 49 CONECT 14 15 15 50 CONECT 15 16 18 CONECT 16 17 CONECT 17 51 52 53 CONECT 18 19 39 39 CONECT 19 20 20 38 CONECT 20 21 22 CONECT 21 54 CONECT 22 23 23 55 CONECT 23 24 25 CONECT 24 56 CONECT 25 26 38 38 CONECT 26 27 27 28 CONECT 28 29 29 57 CONECT 29 30 37 CONECT 30 31 31 36 CONECT 31 32 58 CONECT 32 33 33 59 CONECT 33 34 35 CONECT 34 60 CONECT 35 36 36 61 CONECT 36 62 CONECT 37 38 CONECT 39 63 CONECT 40 41 CONECT 41 42 42 CONECT 42 64 END