COMPND HMDB0014538 HETATM 1 C1 UNL 1 7.183 -2.603 -1.732 1.00 0.00 C HETATM 2 C2 UNL 1 6.185 -3.175 -0.752 1.00 0.00 C HETATM 3 C3 UNL 1 5.199 -2.100 -0.428 1.00 0.00 C HETATM 4 O1 UNL 1 5.290 -0.959 -0.943 1.00 0.00 O HETATM 5 O2 UNL 1 4.173 -2.362 0.451 1.00 0.00 O HETATM 6 C4 UNL 1 3.210 -1.336 0.773 1.00 0.00 C HETATM 7 C5 UNL 1 2.468 -0.885 -0.421 1.00 0.00 C HETATM 8 O3 UNL 1 2.776 -1.437 -1.481 1.00 0.00 O HETATM 9 C6 UNL 1 1.439 0.130 -0.369 1.00 0.00 C HETATM 10 O4 UNL 1 1.352 0.857 0.842 1.00 0.00 O HETATM 11 C7 UNL 1 2.290 1.705 1.354 1.00 0.00 C HETATM 12 O5 UNL 1 3.349 1.904 0.701 1.00 0.00 O HETATM 13 C8 UNL 1 2.114 2.415 2.671 1.00 0.00 C HETATM 14 C9 UNL 1 1.772 3.859 2.329 1.00 0.00 C HETATM 15 C10 UNL 1 1.445 1.119 -1.506 1.00 0.00 C HETATM 16 C11 UNL 1 2.466 0.933 -2.553 1.00 0.00 C HETATM 17 C12 UNL 1 0.015 1.219 -2.029 1.00 0.00 C HETATM 18 C13 UNL 1 -0.708 0.831 -0.762 1.00 0.00 C HETATM 19 C14 UNL 1 -2.188 0.623 -0.897 1.00 0.00 C HETATM 20 C15 UNL 1 -2.913 1.900 -1.059 1.00 0.00 C HETATM 21 C16 UNL 1 -4.243 2.074 -0.440 1.00 0.00 C HETATM 22 C17 UNL 1 -4.606 1.073 0.557 1.00 0.00 C HETATM 23 C18 UNL 1 -5.317 1.376 1.610 1.00 0.00 C HETATM 24 C19 UNL 1 -5.687 0.385 2.620 1.00 0.00 C HETATM 25 O6 UNL 1 -6.370 0.660 3.634 1.00 0.00 O HETATM 26 C20 UNL 1 -5.240 -0.977 2.431 1.00 0.00 C HETATM 27 C21 UNL 1 -4.522 -1.251 1.356 1.00 0.00 C HETATM 28 C22 UNL 1 -4.130 -0.308 0.322 1.00 0.00 C HETATM 29 C23 UNL 1 -4.704 -0.771 -0.988 1.00 0.00 C HETATM 30 C24 UNL 1 -2.629 -0.158 0.295 1.00 0.00 C HETATM 31 CL1 UNL 1 -2.221 0.862 1.733 1.00 0.00 CL HETATM 32 C25 UNL 1 -1.910 -1.440 0.548 1.00 0.00 C HETATM 33 O7 UNL 1 -2.167 -2.446 -0.349 1.00 0.00 O HETATM 34 C26 UNL 1 -0.443 -1.137 0.745 1.00 0.00 C HETATM 35 C27 UNL 1 0.025 -0.472 -0.521 1.00 0.00 C HETATM 36 C28 UNL 1 -0.060 -1.446 -1.632 1.00 0.00 C HETATM 37 H1 UNL 1 8.089 -3.233 -1.738 1.00 0.00 H HETATM 38 H2 UNL 1 6.673 -2.604 -2.732 1.00 0.00 H HETATM 39 H3 UNL 1 7.396 -1.529 -1.513 1.00 0.00 H HETATM 40 H4 UNL 1 5.645 -4.041 -1.183 1.00 0.00 H HETATM 41 H5 UNL 1 6.696 -3.535 0.160 1.00 0.00 H HETATM 42 H6 UNL 1 3.700 -0.569 1.368 1.00 0.00 H HETATM 43 H7 UNL 1 2.527 -1.875 1.498 1.00 0.00 H HETATM 44 H8 UNL 1 1.227 1.957 3.155 1.00 0.00 H HETATM 45 H9 UNL 1 3.025 2.383 3.274 1.00 0.00 H HETATM 46 H10 UNL 1 0.731 3.938 1.938 1.00 0.00 H HETATM 47 H11 UNL 1 2.430 4.223 1.515 1.00 0.00 H HETATM 48 H12 UNL 1 1.888 4.511 3.216 1.00 0.00 H HETATM 49 H13 UNL 1 1.620 2.155 -1.071 1.00 0.00 H HETATM 50 H14 UNL 1 2.641 1.901 -3.121 1.00 0.00 H HETATM 51 H15 UNL 1 3.461 0.651 -2.204 1.00 0.00 H HETATM 52 H16 UNL 1 2.148 0.236 -3.355 1.00 0.00 H HETATM 53 H17 UNL 1 -0.193 0.430 -2.778 1.00 0.00 H HETATM 54 H18 UNL 1 -0.228 2.233 -2.381 1.00 0.00 H HETATM 55 H19 UNL 1 -0.432 1.509 0.057 1.00 0.00 H HETATM 56 H20 UNL 1 -2.330 0.061 -1.860 1.00 0.00 H HETATM 57 H21 UNL 1 -2.976 2.209 -2.147 1.00 0.00 H HETATM 58 H22 UNL 1 -2.241 2.705 -0.629 1.00 0.00 H HETATM 59 H23 UNL 1 -5.025 2.009 -1.256 1.00 0.00 H HETATM 60 H24 UNL 1 -4.373 3.133 -0.063 1.00 0.00 H HETATM 61 H25 UNL 1 -5.669 2.388 1.782 1.00 0.00 H HETATM 62 H26 UNL 1 -5.474 -1.771 3.140 1.00 0.00 H HETATM 63 H27 UNL 1 -4.205 -2.285 1.246 1.00 0.00 H HETATM 64 H28 UNL 1 -5.300 0.007 -1.507 1.00 0.00 H HETATM 65 H29 UNL 1 -3.961 -1.148 -1.703 1.00 0.00 H HETATM 66 H30 UNL 1 -5.428 -1.626 -0.838 1.00 0.00 H HETATM 67 H31 UNL 1 -2.267 -1.790 1.559 1.00 0.00 H HETATM 68 H32 UNL 1 -1.966 -3.314 0.059 1.00 0.00 H HETATM 69 H33 UNL 1 0.094 -2.101 0.831 1.00 0.00 H HETATM 70 H34 UNL 1 -0.314 -0.538 1.648 1.00 0.00 H HETATM 71 H35 UNL 1 -1.045 -1.482 -2.142 1.00 0.00 H HETATM 72 H36 UNL 1 0.064 -2.483 -1.197 1.00 0.00 H HETATM 73 H37 UNL 1 0.677 -1.376 -2.428 1.00 0.00 H CONECT 1 2 37 38 39 CONECT 2 3 40 41 CONECT 3 4 4 5 CONECT 5 6 CONECT 6 7 42 43 CONECT 7 8 8 9 CONECT 9 10 15 35 CONECT 10 11 CONECT 11 12 12 13 CONECT 13 14 44 45 CONECT 14 46 47 48 CONECT 15 16 17 49 CONECT 16 50 51 52 CONECT 17 18 53 54 CONECT 18 19 35 55 CONECT 19 20 30 56 CONECT 20 21 57 58 CONECT 21 22 59 60 CONECT 22 23 23 28 CONECT 23 24 61 CONECT 24 25 25 26 CONECT 26 27 27 62 CONECT 27 28 63 CONECT 28 29 30 CONECT 29 64 65 66 CONECT 30 31 32 CONECT 32 33 34 67 CONECT 33 68 CONECT 34 35 69 70 CONECT 35 36 CONECT 36 71 72 73 END