COMPND HMDB0039972 HETATM 1 O1 UNL 1 -3.988 1.009 1.644 1.00 0.00 O HETATM 2 C1 UNL 1 -3.001 0.579 1.038 1.00 0.00 C HETATM 3 C2 UNL 1 -3.131 -0.637 0.238 1.00 0.00 C HETATM 4 C3 UNL 1 -4.322 -1.006 -0.351 1.00 0.00 C HETATM 5 C4 UNL 1 -5.468 -0.124 -0.209 1.00 0.00 C HETATM 6 C5 UNL 1 -6.634 -0.652 0.281 1.00 0.00 C HETATM 7 C6 UNL 1 -7.767 0.138 0.405 1.00 0.00 C HETATM 8 C7 UNL 1 -7.679 1.445 0.025 1.00 0.00 C HETATM 9 O2 UNL 1 -8.840 2.216 0.161 1.00 0.00 O HETATM 10 C8 UNL 1 -6.511 1.975 -0.467 1.00 0.00 C HETATM 11 C9 UNL 1 -5.389 1.192 -0.589 1.00 0.00 C HETATM 12 C10 UNL 1 -4.410 -2.181 -1.096 1.00 0.00 C HETATM 13 C11 UNL 1 -3.276 -2.946 -1.220 1.00 0.00 C HETATM 14 C12 UNL 1 -2.084 -2.583 -0.635 1.00 0.00 C HETATM 15 C13 UNL 1 -0.996 -3.424 -0.808 1.00 0.00 C HETATM 16 C14 UNL 1 0.189 -3.056 -0.212 1.00 0.00 C HETATM 17 C15 UNL 1 0.294 -1.887 0.536 1.00 0.00 C HETATM 18 C16 UNL 1 -0.789 -1.053 0.706 1.00 0.00 C HETATM 19 C17 UNL 1 -1.982 -1.424 0.105 1.00 0.00 C HETATM 20 C18 UNL 1 -0.617 0.178 1.510 1.00 0.00 C HETATM 21 C19 UNL 1 0.764 0.728 1.282 1.00 0.00 C HETATM 22 C20 UNL 1 0.938 1.064 -0.141 1.00 0.00 C HETATM 23 C21 UNL 1 -0.140 1.496 -0.876 1.00 0.00 C HETATM 24 C22 UNL 1 -0.021 1.814 -2.233 1.00 0.00 C HETATM 25 C23 UNL 1 1.212 1.680 -2.800 1.00 0.00 C HETATM 26 C24 UNL 1 2.315 1.251 -2.085 1.00 0.00 C HETATM 27 C25 UNL 1 3.551 1.154 -2.706 1.00 0.00 C HETATM 28 C26 UNL 1 4.665 0.749 -2.004 1.00 0.00 C HETATM 29 C27 UNL 1 4.577 0.425 -0.640 1.00 0.00 C HETATM 30 C28 UNL 1 5.786 0.054 0.084 1.00 0.00 C HETATM 31 C29 UNL 1 6.391 0.898 0.987 1.00 0.00 C HETATM 32 C30 UNL 1 7.530 0.580 1.704 1.00 0.00 C HETATM 33 C31 UNL 1 8.109 -0.658 1.514 1.00 0.00 C HETATM 34 C32 UNL 1 7.523 -1.526 0.613 1.00 0.00 C HETATM 35 C33 UNL 1 6.388 -1.187 -0.091 1.00 0.00 C HETATM 36 C34 UNL 1 3.327 0.535 -0.069 1.00 0.00 C HETATM 37 C35 UNL 1 2.194 0.938 -0.749 1.00 0.00 C HETATM 38 C36 UNL 1 3.157 0.181 1.319 1.00 0.00 C HETATM 39 O3 UNL 1 4.088 0.276 2.149 1.00 0.00 O HETATM 40 C37 UNL 1 1.799 -0.311 1.718 1.00 0.00 C HETATM 41 O4 UNL 1 1.718 -0.462 3.105 1.00 0.00 O HETATM 42 O5 UNL 1 1.507 -1.540 1.129 1.00 0.00 O HETATM 43 O6 UNL 1 -1.376 1.623 -0.259 1.00 0.00 O HETATM 44 C38 UNL 1 -1.639 1.231 1.064 1.00 0.00 C HETATM 45 O7 UNL 1 -1.613 2.318 1.896 1.00 0.00 O HETATM 46 H1 UNL 1 -6.699 -1.692 0.582 1.00 0.00 H HETATM 47 H2 UNL 1 -8.692 -0.284 0.794 1.00 0.00 H HETATM 48 H3 UNL 1 -8.874 3.194 -0.093 1.00 0.00 H HETATM 49 H4 UNL 1 -6.522 3.027 -0.748 1.00 0.00 H HETATM 50 H5 UNL 1 -4.466 1.645 -0.986 1.00 0.00 H HETATM 51 H6 UNL 1 -5.371 -2.406 -1.526 1.00 0.00 H HETATM 52 H7 UNL 1 -3.345 -3.880 -1.812 1.00 0.00 H HETATM 53 H8 UNL 1 -1.092 -4.338 -1.397 1.00 0.00 H HETATM 54 H9 UNL 1 1.056 -3.710 -0.340 1.00 0.00 H HETATM 55 H10 UNL 1 -0.754 -0.013 2.600 1.00 0.00 H HETATM 56 H11 UNL 1 0.921 1.675 1.870 1.00 0.00 H HETATM 57 H12 UNL 1 -0.899 2.149 -2.775 1.00 0.00 H HETATM 58 H13 UNL 1 1.345 1.915 -3.845 1.00 0.00 H HETATM 59 H14 UNL 1 3.610 1.410 -3.775 1.00 0.00 H HETATM 60 H15 UNL 1 5.624 0.667 -2.458 1.00 0.00 H HETATM 61 H16 UNL 1 5.996 1.906 1.184 1.00 0.00 H HETATM 62 H17 UNL 1 7.981 1.275 2.412 1.00 0.00 H HETATM 63 H18 UNL 1 9.000 -0.916 2.070 1.00 0.00 H HETATM 64 H19 UNL 1 7.981 -2.495 0.467 1.00 0.00 H HETATM 65 H20 UNL 1 5.910 -1.846 -0.800 1.00 0.00 H HETATM 66 H21 UNL 1 1.927 -1.379 3.346 1.00 0.00 H HETATM 67 H22 UNL 1 -0.991 3.027 1.603 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 44 CONECT 3 4 19 19 CONECT 4 5 12 12 CONECT 5 6 6 11 CONECT 6 7 46 CONECT 7 8 8 47 CONECT 8 9 10 CONECT 9 48 CONECT 10 11 11 49 CONECT 11 50 CONECT 12 13 51 CONECT 13 14 14 52 CONECT 14 15 19 CONECT 15 16 16 53 CONECT 16 17 54 CONECT 17 18 18 42 CONECT 18 19 20 CONECT 20 21 44 55 CONECT 21 22 40 56 CONECT 22 23 23 37 CONECT 23 24 43 CONECT 24 25 25 57 CONECT 25 26 58 CONECT 26 27 27 37 CONECT 27 28 59 CONECT 28 29 29 60 CONECT 29 30 36 CONECT 30 31 31 35 CONECT 31 32 61 CONECT 32 33 33 62 CONECT 33 34 63 CONECT 34 35 35 64 CONECT 35 65 CONECT 36 37 37 38 CONECT 38 39 39 40 CONECT 40 41 42 CONECT 41 66 CONECT 43 44 CONECT 44 45 CONECT 45 67 END