COMPND HMDB0031140 HETATM 1 C1 UNL 1 3.422 -3.035 1.440 1.00 0.00 C HETATM 2 O1 UNL 1 3.179 -2.673 0.091 1.00 0.00 O HETATM 3 C2 UNL 1 3.498 -1.399 -0.395 1.00 0.00 C HETATM 4 C3 UNL 1 2.536 -0.390 -0.321 1.00 0.00 C HETATM 5 C4 UNL 1 2.863 0.834 -0.796 1.00 0.00 C HETATM 6 C5 UNL 1 4.100 1.088 -1.337 1.00 0.00 C HETATM 7 C6 UNL 1 4.451 2.420 -1.852 1.00 0.00 C HETATM 8 C7 UNL 1 5.077 0.088 -1.419 1.00 0.00 C HETATM 9 C8 UNL 1 4.734 -1.159 -0.932 1.00 0.00 C HETATM 10 C9 UNL 1 5.901 -2.009 -1.129 1.00 0.00 C HETATM 11 O2 UNL 1 5.954 -3.218 -0.802 1.00 0.00 O HETATM 12 O3 UNL 1 6.873 -1.247 -1.715 1.00 0.00 O HETATM 13 C10 UNL 1 6.457 0.075 -1.938 1.00 0.00 C HETATM 14 O4 UNL 1 1.900 1.828 -0.716 1.00 0.00 O HETATM 15 C11 UNL 1 0.784 1.623 0.182 1.00 0.00 C HETATM 16 C12 UNL 1 1.397 1.756 1.554 1.00 0.00 C HETATM 17 C13 UNL 1 -0.140 2.739 -0.123 1.00 0.00 C HETATM 18 C14 UNL 1 -1.391 2.502 0.687 1.00 0.00 C HETATM 19 O5 UNL 1 -2.207 3.593 0.382 1.00 0.00 O HETATM 20 C15 UNL 1 -2.065 1.221 0.363 1.00 0.00 C HETATM 21 O6 UNL 1 -2.725 1.462 -0.872 1.00 0.00 O HETATM 22 C16 UNL 1 -3.707 0.474 -0.824 1.00 0.00 C HETATM 23 O7 UNL 1 -4.826 0.787 -1.531 1.00 0.00 O HETATM 24 C17 UNL 1 -5.845 -0.117 -1.540 1.00 0.00 C HETATM 25 C18 UNL 1 -2.996 -0.684 -1.511 1.00 0.00 C HETATM 26 C19 UNL 1 -1.749 -1.038 -0.740 1.00 0.00 C HETATM 27 O8 UNL 1 -1.855 -2.325 -0.166 1.00 0.00 O HETATM 28 C20 UNL 1 -1.263 -3.473 -0.576 1.00 0.00 C HETATM 29 C21 UNL 1 -1.488 -4.741 0.166 1.00 0.00 C HETATM 30 O9 UNL 1 -0.549 -3.376 -1.582 1.00 0.00 O HETATM 31 C22 UNL 1 -1.212 0.018 0.197 1.00 0.00 C HETATM 32 C23 UNL 1 -1.059 -0.750 1.534 1.00 0.00 C HETATM 33 C24 UNL 1 0.219 0.309 -0.165 1.00 0.00 C HETATM 34 C25 UNL 1 1.202 -0.750 0.285 1.00 0.00 C HETATM 35 O10 UNL 1 -3.913 0.075 0.484 1.00 0.00 O HETATM 36 C26 UNL 1 -3.293 1.110 1.182 1.00 0.00 C HETATM 37 C27 UNL 1 -3.222 0.984 2.627 1.00 0.00 C HETATM 38 C28 UNL 1 -4.214 2.309 0.870 1.00 0.00 C HETATM 39 H1 UNL 1 4.172 -3.847 1.494 1.00 0.00 H HETATM 40 H2 UNL 1 2.482 -3.453 1.854 1.00 0.00 H HETATM 41 H3 UNL 1 3.710 -2.138 2.039 1.00 0.00 H HETATM 42 H4 UNL 1 3.613 3.103 -1.683 1.00 0.00 H HETATM 43 H5 UNL 1 4.626 2.338 -2.950 1.00 0.00 H HETATM 44 H6 UNL 1 5.390 2.739 -1.378 1.00 0.00 H HETATM 45 H7 UNL 1 7.137 0.770 -1.397 1.00 0.00 H HETATM 46 H8 UNL 1 6.515 0.364 -3.011 1.00 0.00 H HETATM 47 H9 UNL 1 2.194 1.031 1.710 1.00 0.00 H HETATM 48 H10 UNL 1 1.935 2.755 1.524 1.00 0.00 H HETATM 49 H11 UNL 1 0.671 1.873 2.367 1.00 0.00 H HETATM 50 H12 UNL 1 0.284 3.710 0.224 1.00 0.00 H HETATM 51 H13 UNL 1 -0.383 2.827 -1.181 1.00 0.00 H HETATM 52 H14 UNL 1 -1.184 2.554 1.776 1.00 0.00 H HETATM 53 H15 UNL 1 -1.673 4.440 0.323 1.00 0.00 H HETATM 54 H16 UNL 1 -5.653 -1.105 -1.943 1.00 0.00 H HETATM 55 H17 UNL 1 -6.651 0.326 -2.198 1.00 0.00 H HETATM 56 H18 UNL 1 -6.349 -0.159 -0.529 1.00 0.00 H HETATM 57 H19 UNL 1 -3.720 -1.488 -1.591 1.00 0.00 H HETATM 58 H20 UNL 1 -2.804 -0.333 -2.548 1.00 0.00 H HETATM 59 H21 UNL 1 -1.005 -1.177 -1.553 1.00 0.00 H HETATM 60 H22 UNL 1 -2.321 -5.277 -0.349 1.00 0.00 H HETATM 61 H23 UNL 1 -0.579 -5.396 0.055 1.00 0.00 H HETATM 62 H24 UNL 1 -1.652 -4.602 1.235 1.00 0.00 H HETATM 63 H25 UNL 1 -2.010 -1.070 1.937 1.00 0.00 H HETATM 64 H26 UNL 1 -0.524 -1.703 1.233 1.00 0.00 H HETATM 65 H27 UNL 1 -0.381 -0.262 2.228 1.00 0.00 H HETATM 66 H28 UNL 1 0.239 0.240 -1.298 1.00 0.00 H HETATM 67 H29 UNL 1 1.379 -0.786 1.362 1.00 0.00 H HETATM 68 H30 UNL 1 1.009 -1.756 -0.123 1.00 0.00 H HETATM 69 H31 UNL 1 -3.743 1.835 3.175 1.00 0.00 H HETATM 70 H32 UNL 1 -2.189 1.041 3.062 1.00 0.00 H HETATM 71 H33 UNL 1 -3.781 0.089 3.040 1.00 0.00 H HETATM 72 H34 UNL 1 -5.255 1.908 1.075 1.00 0.00 H HETATM 73 H35 UNL 1 -4.220 2.586 -0.176 1.00 0.00 H HETATM 74 H36 UNL 1 -4.108 3.112 1.611 1.00 0.00 H CONECT 1 2 39 40 41 CONECT 2 3 CONECT 3 4 4 9 CONECT 4 5 34 CONECT 5 6 6 14 CONECT 6 7 8 CONECT 7 42 43 44 CONECT 8 9 9 13 CONECT 9 10 CONECT 10 11 11 12 CONECT 12 13 CONECT 13 45 46 CONECT 14 15 CONECT 15 16 17 33 CONECT 16 47 48 49 CONECT 17 18 50 51 CONECT 18 19 20 52 CONECT 19 53 CONECT 20 21 31 36 CONECT 21 22 CONECT 22 23 25 35 CONECT 23 24 CONECT 24 54 55 56 CONECT 25 26 57 58 CONECT 26 27 31 59 CONECT 27 28 CONECT 28 29 30 30 CONECT 29 60 61 62 CONECT 31 32 33 CONECT 32 63 64 65 CONECT 33 34 66 CONECT 34 67 68 CONECT 35 36 CONECT 36 37 38 CONECT 37 69 70 71 CONECT 38 72 73 74 END