COMPND HMDB0128507 HETATM 1 O1 UNL 1 6.218 4.515 -0.270 1.00 0.00 O HETATM 2 C1 UNL 1 6.082 3.426 -0.885 1.00 0.00 C HETATM 3 O2 UNL 1 4.957 3.209 -1.639 1.00 0.00 O HETATM 4 C2 UNL 1 7.187 2.425 -0.743 1.00 0.00 C HETATM 5 O3 UNL 1 6.960 1.265 -1.441 1.00 0.00 O HETATM 6 C3 UNL 1 6.362 0.248 -0.695 1.00 0.00 C HETATM 7 O4 UNL 1 5.197 0.736 -0.124 1.00 0.00 O HETATM 8 C4 UNL 1 3.907 0.316 -0.305 1.00 0.00 C HETATM 9 C5 UNL 1 2.888 0.944 0.377 1.00 0.00 C HETATM 10 C6 UNL 1 1.563 0.523 0.199 1.00 0.00 C HETATM 11 C7 UNL 1 1.269 -0.522 -0.658 1.00 0.00 C HETATM 12 C8 UNL 1 -0.122 -0.912 -0.802 1.00 0.00 C HETATM 13 C9 UNL 1 -0.584 -1.866 -1.570 1.00 0.00 C HETATM 14 C10 UNL 1 -1.957 -2.280 -1.737 1.00 0.00 C HETATM 15 C11 UNL 1 -2.241 -3.323 -2.620 1.00 0.00 C HETATM 16 C12 UNL 1 -3.521 -3.748 -2.817 1.00 0.00 C HETATM 17 O5 UNL 1 -3.770 -4.788 -3.702 1.00 0.00 O HETATM 18 C13 UNL 1 -4.550 -3.117 -2.115 1.00 0.00 C HETATM 19 C14 UNL 1 -4.296 -2.088 -1.241 1.00 0.00 C HETATM 20 O6 UNL 1 -5.321 -1.496 -0.574 1.00 0.00 O HETATM 21 C15 UNL 1 -5.315 -0.471 0.357 1.00 0.00 C HETATM 22 O7 UNL 1 -6.132 0.570 -0.085 1.00 0.00 O HETATM 23 C16 UNL 1 -6.393 1.511 0.879 1.00 0.00 C HETATM 24 C17 UNL 1 -5.184 2.337 1.267 1.00 0.00 C HETATM 25 O8 UNL 1 -5.625 3.236 2.249 1.00 0.00 O HETATM 26 C18 UNL 1 -7.067 0.984 2.105 1.00 0.00 C HETATM 27 O9 UNL 1 -6.267 1.256 3.209 1.00 0.00 O HETATM 28 C19 UNL 1 -7.200 -0.523 1.968 1.00 0.00 C HETATM 29 O10 UNL 1 -7.666 -1.088 3.150 1.00 0.00 O HETATM 30 C20 UNL 1 -5.831 -1.069 1.671 1.00 0.00 C HETATM 31 O11 UNL 1 -4.939 -0.828 2.702 1.00 0.00 O HETATM 32 C21 UNL 1 -2.996 -1.684 -1.064 1.00 0.00 C HETATM 33 C22 UNL 1 2.283 -1.138 -1.328 1.00 0.00 C HETATM 34 C23 UNL 1 3.613 -0.715 -1.150 1.00 0.00 C HETATM 35 C24 UNL 1 7.269 -0.207 0.451 1.00 0.00 C HETATM 36 O12 UNL 1 7.954 -1.371 0.120 1.00 0.00 O HETATM 37 C25 UNL 1 8.203 0.876 0.884 1.00 0.00 C HETATM 38 O13 UNL 1 9.373 0.763 0.100 1.00 0.00 O HETATM 39 C26 UNL 1 7.571 2.221 0.689 1.00 0.00 C HETATM 40 O14 UNL 1 6.492 2.321 1.565 1.00 0.00 O HETATM 41 H1 UNL 1 4.920 2.694 -2.505 1.00 0.00 H HETATM 42 H2 UNL 1 8.074 2.920 -1.238 1.00 0.00 H HETATM 43 H3 UNL 1 6.265 -0.608 -1.363 1.00 0.00 H HETATM 44 H4 UNL 1 3.062 1.764 1.057 1.00 0.00 H HETATM 45 H5 UNL 1 0.788 1.039 0.749 1.00 0.00 H HETATM 46 H6 UNL 1 -0.897 -0.376 -0.223 1.00 0.00 H HETATM 47 H7 UNL 1 0.179 -2.407 -2.151 1.00 0.00 H HETATM 48 H8 UNL 1 -1.432 -3.821 -3.173 1.00 0.00 H HETATM 49 H9 UNL 1 -4.719 -5.116 -3.860 1.00 0.00 H HETATM 50 H10 UNL 1 -5.540 -3.471 -2.291 1.00 0.00 H HETATM 51 H11 UNL 1 -4.340 -0.031 0.580 1.00 0.00 H HETATM 52 H12 UNL 1 -7.114 2.241 0.394 1.00 0.00 H HETATM 53 H13 UNL 1 -4.782 2.932 0.425 1.00 0.00 H HETATM 54 H14 UNL 1 -4.428 1.689 1.740 1.00 0.00 H HETATM 55 H15 UNL 1 -6.574 3.501 2.118 1.00 0.00 H HETATM 56 H16 UNL 1 -8.053 1.463 2.259 1.00 0.00 H HETATM 57 H17 UNL 1 -6.772 1.304 4.059 1.00 0.00 H HETATM 58 H18 UNL 1 -7.860 -0.726 1.117 1.00 0.00 H HETATM 59 H19 UNL 1 -8.525 -1.531 2.964 1.00 0.00 H HETATM 60 H20 UNL 1 -5.910 -2.192 1.596 1.00 0.00 H HETATM 61 H21 UNL 1 -4.958 -1.565 3.354 1.00 0.00 H HETATM 62 H22 UNL 1 -2.791 -0.870 -0.371 1.00 0.00 H HETATM 63 H23 UNL 1 2.085 -1.953 -2.001 1.00 0.00 H HETATM 64 H24 UNL 1 4.384 -1.227 -1.697 1.00 0.00 H HETATM 65 H25 UNL 1 6.623 -0.464 1.336 1.00 0.00 H HETATM 66 H26 UNL 1 7.487 -1.773 -0.669 1.00 0.00 H HETATM 67 H27 UNL 1 8.439 0.728 1.955 1.00 0.00 H HETATM 68 H28 UNL 1 9.102 0.541 -0.830 1.00 0.00 H HETATM 69 H29 UNL 1 8.291 3.020 1.008 1.00 0.00 H HETATM 70 H30 UNL 1 6.624 1.846 2.405 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 41 CONECT 4 5 39 42 CONECT 5 6 CONECT 6 7 35 43 CONECT 7 8 CONECT 8 9 9 34 CONECT 9 10 44 CONECT 10 11 11 45 CONECT 11 12 33 CONECT 12 13 13 46 CONECT 13 14 47 CONECT 14 15 15 32 CONECT 15 16 48 CONECT 16 17 18 18 CONECT 17 49 CONECT 18 19 50 CONECT 19 20 32 32 CONECT 20 21 CONECT 21 22 30 51 CONECT 22 23 CONECT 23 24 26 52 CONECT 24 25 53 54 CONECT 25 55 CONECT 26 27 28 56 CONECT 27 57 CONECT 28 29 30 58 CONECT 29 59 CONECT 30 31 60 CONECT 31 61 CONECT 32 62 CONECT 33 34 34 63 CONECT 34 64 CONECT 35 36 37 65 CONECT 36 66 CONECT 37 38 39 67 CONECT 38 68 CONECT 39 40 69 CONECT 40 70 END