COMPND HMDB0035635 HETATM 1 C1 UNL 1 5.478 -2.700 -1.920 1.00 0.00 C HETATM 2 C2 UNL 1 6.157 -1.574 -1.189 1.00 0.00 C HETATM 3 C3 UNL 1 7.477 -1.207 -1.831 1.00 0.00 C HETATM 4 C4 UNL 1 5.215 -0.391 -1.121 1.00 0.00 C HETATM 5 C5 UNL 1 4.000 -0.828 -0.394 1.00 0.00 C HETATM 6 O1 UNL 1 3.869 -1.992 0.048 1.00 0.00 O HETATM 7 O2 UNL 1 2.964 0.072 -0.188 1.00 0.00 O HETATM 8 C6 UNL 1 1.779 -0.234 0.481 1.00 0.00 C HETATM 9 O3 UNL 1 0.774 -0.314 -0.540 1.00 0.00 O HETATM 10 C7 UNL 1 -0.605 -0.259 -0.191 1.00 0.00 C HETATM 11 C8 UNL 1 -0.920 0.659 0.679 1.00 0.00 C HETATM 12 C9 UNL 1 -2.241 0.936 1.207 1.00 0.00 C HETATM 13 O4 UNL 1 -3.284 0.206 0.786 1.00 0.00 O HETATM 14 C10 UNL 1 -3.676 0.224 -0.514 1.00 0.00 C HETATM 15 O5 UNL 1 -3.829 -1.020 -1.028 1.00 0.00 O HETATM 16 C11 UNL 1 -5.021 -1.655 -0.846 1.00 0.00 C HETATM 17 C12 UNL 1 -5.336 -2.057 0.558 1.00 0.00 C HETATM 18 O6 UNL 1 -6.600 -2.690 0.527 1.00 0.00 O HETATM 19 C13 UNL 1 -6.204 -0.902 -1.420 1.00 0.00 C HETATM 20 O7 UNL 1 -6.762 -1.525 -2.521 1.00 0.00 O HETATM 21 C14 UNL 1 -5.722 0.492 -1.839 1.00 0.00 C HETATM 22 O8 UNL 1 -6.827 1.220 -2.200 1.00 0.00 O HETATM 23 C15 UNL 1 -4.979 1.049 -0.670 1.00 0.00 C HETATM 24 O9 UNL 1 -4.679 2.387 -0.902 1.00 0.00 O HETATM 25 C16 UNL 1 0.211 1.495 1.164 1.00 0.00 C HETATM 26 C17 UNL 1 0.892 2.290 0.089 1.00 0.00 C HETATM 27 O10 UNL 1 1.368 3.536 0.458 1.00 0.00 O HETATM 28 C18 UNL 1 2.310 2.524 0.637 1.00 0.00 C HETATM 29 C19 UNL 1 2.344 1.772 1.932 1.00 0.00 C HETATM 30 O11 UNL 1 1.617 2.587 2.853 1.00 0.00 O HETATM 31 C20 UNL 1 3.666 1.407 2.464 1.00 0.00 C HETATM 32 O12 UNL 1 3.490 0.681 3.642 1.00 0.00 O HETATM 33 C21 UNL 1 1.404 0.626 1.621 1.00 0.00 C HETATM 34 H1 UNL 1 4.682 -2.288 -2.574 1.00 0.00 H HETATM 35 H2 UNL 1 6.238 -3.171 -2.604 1.00 0.00 H HETATM 36 H3 UNL 1 5.113 -3.497 -1.245 1.00 0.00 H HETATM 37 H4 UNL 1 6.379 -1.896 -0.138 1.00 0.00 H HETATM 38 H5 UNL 1 7.328 -0.495 -2.684 1.00 0.00 H HETATM 39 H6 UNL 1 7.968 -2.111 -2.252 1.00 0.00 H HETATM 40 H7 UNL 1 8.177 -0.774 -1.074 1.00 0.00 H HETATM 41 H8 UNL 1 4.982 -0.011 -2.125 1.00 0.00 H HETATM 42 H9 UNL 1 5.724 0.391 -0.509 1.00 0.00 H HETATM 43 H10 UNL 1 1.827 -1.306 0.854 1.00 0.00 H HETATM 44 H11 UNL 1 -1.302 -0.920 -0.617 1.00 0.00 H HETATM 45 H12 UNL 1 -2.146 0.737 2.341 1.00 0.00 H HETATM 46 H13 UNL 1 -2.464 2.054 1.209 1.00 0.00 H HETATM 47 H14 UNL 1 -2.954 0.812 -1.111 1.00 0.00 H HETATM 48 H15 UNL 1 -4.965 -2.615 -1.442 1.00 0.00 H HETATM 49 H16 UNL 1 -5.421 -1.244 1.275 1.00 0.00 H HETATM 50 H17 UNL 1 -4.589 -2.778 0.976 1.00 0.00 H HETATM 51 H18 UNL 1 -6.578 -3.245 -0.316 1.00 0.00 H HETATM 52 H19 UNL 1 -7.007 -0.782 -0.657 1.00 0.00 H HETATM 53 H20 UNL 1 -6.390 -1.106 -3.330 1.00 0.00 H HETATM 54 H21 UNL 1 -5.008 0.363 -2.685 1.00 0.00 H HETATM 55 H22 UNL 1 -7.136 1.859 -1.518 1.00 0.00 H HETATM 56 H23 UNL 1 -5.560 0.926 0.266 1.00 0.00 H HETATM 57 H24 UNL 1 -4.521 2.907 -0.089 1.00 0.00 H HETATM 58 H25 UNL 1 -0.052 2.117 2.032 1.00 0.00 H HETATM 59 H26 UNL 1 0.880 1.979 -0.955 1.00 0.00 H HETATM 60 H27 UNL 1 3.148 2.553 -0.052 1.00 0.00 H HETATM 61 H28 UNL 1 1.812 3.532 2.709 1.00 0.00 H HETATM 62 H29 UNL 1 4.351 0.980 1.747 1.00 0.00 H HETATM 63 H30 UNL 1 4.164 2.367 2.821 1.00 0.00 H HETATM 64 H31 UNL 1 3.866 -0.221 3.590 1.00 0.00 H HETATM 65 H32 UNL 1 1.127 0.067 2.539 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 4 37 CONECT 3 38 39 40 CONECT 4 5 41 42 CONECT 5 6 6 7 CONECT 7 8 CONECT 8 9 33 43 CONECT 9 10 CONECT 10 11 11 44 CONECT 11 12 25 CONECT 12 13 45 46 CONECT 13 14 CONECT 14 15 23 47 CONECT 15 16 CONECT 16 17 19 48 CONECT 17 18 49 50 CONECT 18 51 CONECT 19 20 21 52 CONECT 20 53 CONECT 21 22 23 54 CONECT 22 55 CONECT 23 24 56 CONECT 24 57 CONECT 25 26 33 58 CONECT 26 27 28 59 CONECT 27 28 CONECT 28 29 60 CONECT 29 30 31 33 CONECT 30 61 CONECT 31 32 62 63 CONECT 32 64 CONECT 33 65 END