COMPND HMDB0015438 HETATM 1 C1 UNL 1 -1.895 -4.441 2.441 1.00 0.00 C HETATM 2 C2 UNL 1 -2.629 -3.894 1.248 1.00 0.00 C HETATM 3 O1 UNL 1 -2.796 -2.477 1.332 1.00 0.00 O HETATM 4 C3 UNL 1 -1.733 -1.609 1.406 1.00 0.00 C HETATM 5 O2 UNL 1 -0.585 -2.165 1.394 1.00 0.00 O HETATM 6 C4 UNL 1 -1.774 -0.142 1.498 1.00 0.00 C HETATM 7 C5 UNL 1 -2.676 0.489 0.476 1.00 0.00 C HETATM 8 C6 UNL 1 -4.143 0.054 0.616 1.00 0.00 C HETATM 9 C7 UNL 1 -4.866 0.807 -0.466 1.00 0.00 C HETATM 10 C8 UNL 1 -5.401 2.055 -0.234 1.00 0.00 C HETATM 11 C9 UNL 1 -6.063 2.726 -1.257 1.00 0.00 C HETATM 12 C10 UNL 1 -6.206 2.179 -2.513 1.00 0.00 C HETATM 13 C11 UNL 1 -5.672 0.933 -2.743 1.00 0.00 C HETATM 14 C12 UNL 1 -5.009 0.262 -1.717 1.00 0.00 C HETATM 15 N1 UNL 1 -0.528 0.492 1.584 1.00 0.00 N HETATM 16 C13 UNL 1 0.439 0.430 0.579 1.00 0.00 C HETATM 17 C14 UNL 1 0.080 1.083 -0.746 1.00 0.00 C HETATM 18 C15 UNL 1 1.664 1.161 1.071 1.00 0.00 C HETATM 19 O3 UNL 1 1.610 1.753 2.198 1.00 0.00 O HETATM 20 N2 UNL 1 2.877 1.232 0.363 1.00 0.00 N HETATM 21 C16 UNL 1 3.166 0.626 -0.918 1.00 0.00 C HETATM 22 C17 UNL 1 4.537 0.027 -0.621 1.00 0.00 C HETATM 23 C18 UNL 1 5.227 1.151 0.074 1.00 0.00 C HETATM 24 C19 UNL 1 4.103 1.905 0.737 1.00 0.00 C HETATM 25 C20 UNL 1 4.145 3.303 0.272 1.00 0.00 C HETATM 26 O4 UNL 1 5.154 3.995 0.514 1.00 0.00 O HETATM 27 O5 UNL 1 3.096 3.862 -0.424 1.00 0.00 O HETATM 28 S1 UNL 1 5.389 -0.485 -2.139 1.00 0.00 S HETATM 29 C21 UNL 1 6.366 -1.906 -1.516 1.00 0.00 C HETATM 30 C22 UNL 1 5.399 -2.696 -0.679 1.00 0.00 C HETATM 31 S2 UNL 1 4.448 -1.497 0.310 1.00 0.00 S HETATM 32 H1 UNL 1 -2.189 -3.822 3.335 1.00 0.00 H HETATM 33 H2 UNL 1 -0.820 -4.367 2.247 1.00 0.00 H HETATM 34 H3 UNL 1 -2.244 -5.468 2.618 1.00 0.00 H HETATM 35 H4 UNL 1 -2.221 -4.203 0.284 1.00 0.00 H HETATM 36 H5 UNL 1 -3.679 -4.304 1.302 1.00 0.00 H HETATM 37 H6 UNL 1 -2.297 0.132 2.513 1.00 0.00 H HETATM 38 H7 UNL 1 -2.709 1.587 0.547 1.00 0.00 H HETATM 39 H8 UNL 1 -2.336 0.206 -0.567 1.00 0.00 H HETATM 40 H9 UNL 1 -4.483 0.428 1.599 1.00 0.00 H HETATM 41 H10 UNL 1 -4.247 -1.023 0.464 1.00 0.00 H HETATM 42 H11 UNL 1 -5.290 2.495 0.762 1.00 0.00 H HETATM 43 H12 UNL 1 -6.485 3.704 -1.084 1.00 0.00 H HETATM 44 H13 UNL 1 -6.727 2.719 -3.301 1.00 0.00 H HETATM 45 H14 UNL 1 -5.766 0.476 -3.717 1.00 0.00 H HETATM 46 H15 UNL 1 -4.582 -0.724 -1.888 1.00 0.00 H HETATM 47 H16 UNL 1 -0.110 0.533 2.538 1.00 0.00 H HETATM 48 H17 UNL 1 0.776 -0.629 0.368 1.00 0.00 H HETATM 49 H18 UNL 1 -0.181 0.332 -1.492 1.00 0.00 H HETATM 50 H19 UNL 1 0.972 1.657 -1.159 1.00 0.00 H HETATM 51 H20 UNL 1 -0.696 1.858 -0.666 1.00 0.00 H HETATM 52 H21 UNL 1 3.237 1.358 -1.751 1.00 0.00 H HETATM 53 H22 UNL 1 2.477 -0.208 -1.096 1.00 0.00 H HETATM 54 H23 UNL 1 5.897 0.690 0.857 1.00 0.00 H HETATM 55 H24 UNL 1 5.835 1.780 -0.608 1.00 0.00 H HETATM 56 H25 UNL 1 4.270 1.910 1.826 1.00 0.00 H HETATM 57 H26 UNL 1 3.262 4.362 -1.308 1.00 0.00 H HETATM 58 H27 UNL 1 6.669 -2.485 -2.402 1.00 0.00 H HETATM 59 H28 UNL 1 7.254 -1.553 -0.944 1.00 0.00 H HETATM 60 H29 UNL 1 4.733 -3.256 -1.384 1.00 0.00 H HETATM 61 H30 UNL 1 5.954 -3.404 -0.028 1.00 0.00 H CONECT 1 2 32 33 34 CONECT 2 3 35 36 CONECT 3 4 CONECT 4 5 5 6 CONECT 6 7 15 37 CONECT 7 8 38 39 CONECT 8 9 40 41 CONECT 9 10 10 14 CONECT 10 11 42 CONECT 11 12 12 43 CONECT 12 13 44 CONECT 13 14 14 45 CONECT 14 46 CONECT 15 16 47 CONECT 16 17 18 48 CONECT 17 49 50 51 CONECT 18 19 19 20 CONECT 20 21 24 CONECT 21 22 52 53 CONECT 22 23 28 31 CONECT 23 24 54 55 CONECT 24 25 56 CONECT 25 26 26 27 CONECT 27 57 CONECT 28 29 CONECT 29 30 58 59 CONECT 30 31 60 61 END