COMPND HMDB0000381 HETATM 1 C1 UNL 1 4.720 -1.278 -1.178 1.00 0.00 C HETATM 2 C2 UNL 1 3.830 -0.390 -0.288 1.00 0.00 C HETATM 3 C3 UNL 1 4.313 1.013 -0.534 1.00 0.00 C HETATM 4 C4 UNL 1 5.792 1.094 -0.154 1.00 0.00 C HETATM 5 C5 UNL 1 6.326 2.451 -0.355 1.00 0.00 C HETATM 6 O1 UNL 1 5.768 3.445 0.150 1.00 0.00 O HETATM 7 O2 UNL 1 7.464 2.624 -1.115 1.00 0.00 O HETATM 8 C6 UNL 1 2.425 -0.665 -0.732 1.00 0.00 C HETATM 9 C7 UNL 1 2.237 -2.176 -0.499 1.00 0.00 C HETATM 10 C8 UNL 1 0.961 -2.323 0.294 1.00 0.00 C HETATM 11 C9 UNL 1 0.228 -1.081 -0.047 1.00 0.00 C HETATM 12 C10 UNL 1 -0.831 -0.678 0.930 1.00 0.00 C HETATM 13 C11 UNL 1 -1.725 -1.864 1.186 1.00 0.00 C HETATM 14 C12 UNL 1 -3.018 -1.294 1.778 1.00 0.00 C HETATM 15 C13 UNL 1 -3.687 -0.671 0.613 1.00 0.00 C HETATM 16 C14 UNL 1 -5.112 -0.292 0.776 1.00 0.00 C HETATM 17 C15 UNL 1 -5.672 0.020 -0.586 1.00 0.00 C HETATM 18 O3 UNL 1 -6.059 -1.200 -1.191 1.00 0.00 O HETATM 19 C16 UNL 1 -4.785 0.783 -1.481 1.00 0.00 C HETATM 20 C17 UNL 1 -3.324 0.739 -1.268 1.00 0.00 C HETATM 21 C18 UNL 1 -2.918 0.558 0.203 1.00 0.00 C HETATM 22 C19 UNL 1 -3.619 1.735 0.909 1.00 0.00 C HETATM 23 C20 UNL 1 -1.483 0.558 0.458 1.00 0.00 C HETATM 24 C21 UNL 1 -0.745 1.134 -0.763 1.00 0.00 C HETATM 25 C22 UNL 1 0.750 1.213 -0.527 1.00 0.00 C HETATM 26 C23 UNL 1 1.348 -0.024 0.073 1.00 0.00 C HETATM 27 C24 UNL 1 1.679 0.220 1.508 1.00 0.00 C HETATM 28 H1 UNL 1 5.485 -1.795 -0.593 1.00 0.00 H HETATM 29 H2 UNL 1 4.134 -2.041 -1.725 1.00 0.00 H HETATM 30 H3 UNL 1 5.236 -0.688 -1.967 1.00 0.00 H HETATM 31 H4 UNL 1 4.031 -0.704 0.752 1.00 0.00 H HETATM 32 H5 UNL 1 4.328 1.173 -1.657 1.00 0.00 H HETATM 33 H6 UNL 1 3.726 1.819 -0.134 1.00 0.00 H HETATM 34 H7 UNL 1 5.842 0.878 0.949 1.00 0.00 H HETATM 35 H8 UNL 1 6.398 0.304 -0.635 1.00 0.00 H HETATM 36 H9 UNL 1 7.771 1.923 -1.783 1.00 0.00 H HETATM 37 H10 UNL 1 2.319 -0.389 -1.782 1.00 0.00 H HETATM 38 H11 UNL 1 2.171 -2.644 -1.506 1.00 0.00 H HETATM 39 H12 UNL 1 3.036 -2.616 0.099 1.00 0.00 H HETATM 40 H13 UNL 1 0.413 -3.188 -0.173 1.00 0.00 H HETATM 41 H14 UNL 1 1.137 -2.497 1.368 1.00 0.00 H HETATM 42 H15 UNL 1 -0.097 -1.135 -1.101 1.00 0.00 H HETATM 43 H16 UNL 1 -0.295 -0.541 1.915 1.00 0.00 H HETATM 44 H17 UNL 1 -1.986 -2.406 0.258 1.00 0.00 H HETATM 45 H18 UNL 1 -1.320 -2.547 1.923 1.00 0.00 H HETATM 46 H19 UNL 1 -3.590 -2.071 2.291 1.00 0.00 H HETATM 47 H20 UNL 1 -2.726 -0.474 2.483 1.00 0.00 H HETATM 48 H21 UNL 1 -3.642 -1.429 -0.225 1.00 0.00 H HETATM 49 H22 UNL 1 -5.650 -1.221 1.136 1.00 0.00 H HETATM 50 H23 UNL 1 -5.337 0.467 1.527 1.00 0.00 H HETATM 51 H24 UNL 1 -6.619 0.577 -0.426 1.00 0.00 H HETATM 52 H25 UNL 1 -6.760 -0.959 -1.870 1.00 0.00 H HETATM 53 H26 UNL 1 -4.983 0.438 -2.538 1.00 0.00 H HETATM 54 H27 UNL 1 -5.115 1.867 -1.514 1.00 0.00 H HETATM 55 H28 UNL 1 -2.877 1.661 -1.686 1.00 0.00 H HETATM 56 H29 UNL 1 -2.930 -0.187 -1.774 1.00 0.00 H HETATM 57 H30 UNL 1 -3.681 1.563 1.998 1.00 0.00 H HETATM 58 H31 UNL 1 -2.934 2.597 0.774 1.00 0.00 H HETATM 59 H32 UNL 1 -4.574 1.990 0.439 1.00 0.00 H HETATM 60 H33 UNL 1 -1.271 1.359 1.245 1.00 0.00 H HETATM 61 H34 UNL 1 -1.004 0.642 -1.695 1.00 0.00 H HETATM 62 H35 UNL 1 -1.095 2.206 -0.837 1.00 0.00 H HETATM 63 H36 UNL 1 1.005 2.148 0.018 1.00 0.00 H HETATM 64 H37 UNL 1 1.194 1.336 -1.548 1.00 0.00 H HETATM 65 H38 UNL 1 1.677 -0.696 2.146 1.00 0.00 H HETATM 66 H39 UNL 1 1.007 1.014 1.913 1.00 0.00 H HETATM 67 H40 UNL 1 2.711 0.616 1.609 1.00 0.00 H CONECT 1 2 28 29 30 CONECT 2 3 8 31 CONECT 3 4 32 33 CONECT 4 5 34 35 CONECT 5 6 6 7 CONECT 7 36 CONECT 8 9 26 37 CONECT 9 10 38 39 CONECT 10 11 40 41 CONECT 11 12 26 42 CONECT 12 13 23 43 CONECT 13 14 44 45 CONECT 14 15 46 47 CONECT 15 16 21 48 CONECT 16 17 49 50 CONECT 17 18 19 51 CONECT 18 52 CONECT 19 20 53 54 CONECT 20 21 55 56 CONECT 21 22 23 CONECT 22 57 58 59 CONECT 23 24 60 CONECT 24 25 61 62 CONECT 25 26 63 64 CONECT 26 27 CONECT 27 65 66 67 END