COMPND HMDB0034149 HETATM 1 C1 UNL 1 9.687 -0.524 0.308 1.00 0.00 C HETATM 2 O1 UNL 1 8.944 -0.682 -0.897 1.00 0.00 O HETATM 3 C2 UNL 1 7.551 -0.611 -0.880 1.00 0.00 C HETATM 4 C3 UNL 1 6.893 -0.768 -2.057 1.00 0.00 C HETATM 5 C4 UNL 1 5.482 -0.710 -2.128 1.00 0.00 C HETATM 6 O2 UNL 1 4.905 -0.879 -3.348 1.00 0.00 O HETATM 7 C5 UNL 1 4.751 -0.490 -0.984 1.00 0.00 C HETATM 8 C6 UNL 1 3.382 -0.417 -0.949 1.00 0.00 C HETATM 9 O3 UNL 1 2.724 -0.557 -2.016 1.00 0.00 O HETATM 10 C7 UNL 1 2.731 -0.191 0.254 1.00 0.00 C HETATM 11 C8 UNL 1 1.274 -0.118 0.250 1.00 0.00 C HETATM 12 C9 UNL 1 0.614 0.623 -0.707 1.00 0.00 C HETATM 13 C10 UNL 1 -0.756 0.713 -0.742 1.00 0.00 C HETATM 14 C11 UNL 1 -1.546 0.044 0.207 1.00 0.00 C HETATM 15 O4 UNL 1 -2.896 0.170 0.121 1.00 0.00 O HETATM 16 C12 UNL 1 -3.817 -0.422 0.975 1.00 0.00 C HETATM 17 O5 UNL 1 -4.487 0.566 1.676 1.00 0.00 O HETATM 18 C13 UNL 1 -5.542 1.155 1.055 1.00 0.00 C HETATM 19 C14 UNL 1 -5.138 2.045 -0.112 1.00 0.00 C HETATM 20 O6 UNL 1 -6.286 2.612 -0.693 1.00 0.00 O HETATM 21 C15 UNL 1 -6.651 0.211 0.668 1.00 0.00 C HETATM 22 O7 UNL 1 -7.703 0.268 1.582 1.00 0.00 O HETATM 23 C16 UNL 1 -6.182 -1.225 0.634 1.00 0.00 C HETATM 24 O8 UNL 1 -6.984 -1.900 -0.271 1.00 0.00 O HETATM 25 C17 UNL 1 -4.749 -1.361 0.247 1.00 0.00 C HETATM 26 O9 UNL 1 -4.642 -1.205 -1.156 1.00 0.00 O HETATM 27 C18 UNL 1 -0.874 -0.686 1.147 1.00 0.00 C HETATM 28 C19 UNL 1 0.519 -0.781 1.188 1.00 0.00 C HETATM 29 C20 UNL 1 3.475 -0.043 1.398 1.00 0.00 C HETATM 30 O10 UNL 1 4.772 -0.121 1.310 1.00 0.00 O HETATM 31 C21 UNL 1 5.442 -0.333 0.201 1.00 0.00 C HETATM 32 C22 UNL 1 6.844 -0.392 0.262 1.00 0.00 C HETATM 33 H1 UNL 1 9.418 0.462 0.772 1.00 0.00 H HETATM 34 H2 UNL 1 10.760 -0.533 0.070 1.00 0.00 H HETATM 35 H3 UNL 1 9.476 -1.360 1.003 1.00 0.00 H HETATM 36 H4 UNL 1 7.449 -0.943 -2.971 1.00 0.00 H HETATM 37 H5 UNL 1 4.009 -0.881 -3.632 1.00 0.00 H HETATM 38 H6 UNL 1 1.239 1.145 -1.446 1.00 0.00 H HETATM 39 H7 UNL 1 -1.248 1.296 -1.496 1.00 0.00 H HETATM 40 H8 UNL 1 -3.283 -1.014 1.738 1.00 0.00 H HETATM 41 H9 UNL 1 -5.990 1.867 1.808 1.00 0.00 H HETATM 42 H10 UNL 1 -4.522 1.524 -0.860 1.00 0.00 H HETATM 43 H11 UNL 1 -4.539 2.904 0.253 1.00 0.00 H HETATM 44 H12 UNL 1 -6.005 3.092 -1.512 1.00 0.00 H HETATM 45 H13 UNL 1 -7.037 0.548 -0.315 1.00 0.00 H HETATM 46 H14 UNL 1 -7.265 0.329 2.490 1.00 0.00 H HETATM 47 H15 UNL 1 -6.318 -1.733 1.619 1.00 0.00 H HETATM 48 H16 UNL 1 -7.890 -1.478 -0.300 1.00 0.00 H HETATM 49 H17 UNL 1 -4.443 -2.412 0.434 1.00 0.00 H HETATM 50 H18 UNL 1 -5.519 -1.276 -1.593 1.00 0.00 H HETATM 51 H19 UNL 1 -1.377 -1.243 1.928 1.00 0.00 H HETATM 52 H20 UNL 1 1.028 -1.367 1.945 1.00 0.00 H HETATM 53 H21 UNL 1 2.957 0.135 2.341 1.00 0.00 H HETATM 54 H22 UNL 1 7.363 -0.269 1.181 1.00 0.00 H CONECT 1 2 33 34 35 CONECT 2 3 CONECT 3 4 4 32 CONECT 4 5 36 CONECT 5 6 7 7 CONECT 6 37 CONECT 7 8 31 CONECT 8 9 9 10 CONECT 10 11 29 29 CONECT 11 12 12 28 CONECT 12 13 38 CONECT 13 14 14 39 CONECT 14 15 27 CONECT 15 16 CONECT 16 17 25 40 CONECT 17 18 CONECT 18 19 21 41 CONECT 19 20 42 43 CONECT 20 44 CONECT 21 22 23 45 CONECT 22 46 CONECT 23 24 25 47 CONECT 24 48 CONECT 25 26 49 CONECT 26 50 CONECT 27 28 28 51 CONECT 28 52 CONECT 29 30 53 CONECT 30 31 CONECT 31 32 32 CONECT 32 54 END