COMPND HMDB0039365 HETATM 1 C1 UNL 1 -6.006 -1.242 -1.833 1.00 0.00 C HETATM 2 C2 UNL 1 -4.489 -1.081 -1.667 1.00 0.00 C HETATM 3 C3 UNL 1 -3.912 -2.397 -2.072 1.00 0.00 C HETATM 4 O1 UNL 1 -3.977 -0.124 -2.569 1.00 0.00 O HETATM 5 C4 UNL 1 -2.762 0.175 -2.025 1.00 0.00 C HETATM 6 C5 UNL 1 -3.094 0.451 -0.573 1.00 0.00 C HETATM 7 C6 UNL 1 -3.780 1.823 -0.444 1.00 0.00 C HETATM 8 O2 UNL 1 -4.079 2.067 0.913 1.00 0.00 O HETATM 9 C7 UNL 1 -4.993 2.031 -1.235 1.00 0.00 C HETATM 10 C8 UNL 1 -5.467 3.442 -0.948 1.00 0.00 C HETATM 11 O3 UNL 1 -4.854 4.197 -0.160 1.00 0.00 O HETATM 12 O4 UNL 1 -6.609 3.936 -1.559 1.00 0.00 O HETATM 13 C9 UNL 1 -4.106 -0.580 -0.307 1.00 0.00 C HETATM 14 C10 UNL 1 -3.734 -1.689 0.616 1.00 0.00 C HETATM 15 C11 UNL 1 -2.276 -1.807 0.752 1.00 0.00 C HETATM 16 O5 UNL 1 -1.677 -2.842 0.516 1.00 0.00 O HETATM 17 C12 UNL 1 -1.558 -0.553 1.206 1.00 0.00 C HETATM 18 C13 UNL 1 -2.132 -0.129 2.584 1.00 0.00 C HETATM 19 C14 UNL 1 -1.862 0.494 0.275 1.00 0.00 C HETATM 20 C15 UNL 1 -0.614 0.772 -0.594 1.00 0.00 C HETATM 21 C16 UNL 1 0.413 1.144 0.423 1.00 0.00 C HETATM 22 C17 UNL 1 0.974 -0.124 1.155 1.00 0.00 C HETATM 23 C18 UNL 1 1.598 0.525 2.391 1.00 0.00 C HETATM 24 C19 UNL 1 1.956 -0.639 0.170 1.00 0.00 C HETATM 25 O6 UNL 1 2.976 0.272 -0.166 1.00 0.00 O HETATM 26 C20 UNL 1 3.189 0.403 -1.511 1.00 0.00 C HETATM 27 O7 UNL 1 4.423 -0.259 -1.848 1.00 0.00 O HETATM 28 C21 UNL 1 5.485 0.356 -1.225 1.00 0.00 C HETATM 29 C22 UNL 1 6.749 -0.203 -1.866 1.00 0.00 C HETATM 30 O8 UNL 1 6.853 -1.575 -1.713 1.00 0.00 O HETATM 31 C23 UNL 1 5.560 1.828 -1.275 1.00 0.00 C HETATM 32 O9 UNL 1 6.110 2.311 -2.476 1.00 0.00 O HETATM 33 C24 UNL 1 4.214 2.520 -1.008 1.00 0.00 C HETATM 34 O10 UNL 1 3.900 2.223 0.303 1.00 0.00 O HETATM 35 C25 UNL 1 3.263 1.804 -1.978 1.00 0.00 C HETATM 36 O11 UNL 1 2.067 2.408 -2.164 1.00 0.00 O HETATM 37 C26 UNL 1 2.750 -1.843 0.556 1.00 0.00 C HETATM 38 C27 UNL 1 3.850 -1.902 1.361 1.00 0.00 C HETATM 39 C28 UNL 1 4.258 -3.238 1.382 1.00 0.00 C HETATM 40 O12 UNL 1 3.438 -3.897 0.633 1.00 0.00 O HETATM 41 C29 UNL 1 2.510 -3.108 0.109 1.00 0.00 C HETATM 42 C30 UNL 1 -0.155 -0.989 1.522 1.00 0.00 C HETATM 43 O13 UNL 1 0.193 -2.368 1.287 1.00 0.00 O HETATM 44 C31 UNL 1 -0.177 -2.045 2.557 1.00 0.00 C HETATM 45 C32 UNL 1 0.606 -2.239 3.731 1.00 0.00 C HETATM 46 O14 UNL 1 0.065 -2.703 4.793 1.00 0.00 O HETATM 47 O15 UNL 1 1.934 -1.978 3.858 1.00 0.00 O HETATM 48 H1 UNL 1 -6.314 -2.293 -1.934 1.00 0.00 H HETATM 49 H2 UNL 1 -6.386 -0.686 -2.696 1.00 0.00 H HETATM 50 H3 UNL 1 -6.462 -0.900 -0.857 1.00 0.00 H HETATM 51 H4 UNL 1 -4.055 -2.453 -3.197 1.00 0.00 H HETATM 52 H5 UNL 1 -4.529 -3.265 -1.708 1.00 0.00 H HETATM 53 H6 UNL 1 -2.848 -2.541 -1.923 1.00 0.00 H HETATM 54 H7 UNL 1 -2.098 -0.696 -2.039 1.00 0.00 H HETATM 55 H8 UNL 1 -2.243 1.025 -2.506 1.00 0.00 H HETATM 56 H9 UNL 1 -3.030 2.594 -0.718 1.00 0.00 H HETATM 57 H10 UNL 1 -4.925 1.619 1.162 1.00 0.00 H HETATM 58 H11 UNL 1 -4.937 1.973 -2.315 1.00 0.00 H HETATM 59 H12 UNL 1 -5.882 1.426 -0.892 1.00 0.00 H HETATM 60 H13 UNL 1 -6.478 4.640 -2.268 1.00 0.00 H HETATM 61 H14 UNL 1 -5.055 -0.138 0.126 1.00 0.00 H HETATM 62 H15 UNL 1 -4.107 -2.694 0.246 1.00 0.00 H HETATM 63 H16 UNL 1 -4.187 -1.618 1.621 1.00 0.00 H HETATM 64 H17 UNL 1 -1.921 0.985 2.632 1.00 0.00 H HETATM 65 H18 UNL 1 -1.669 -0.659 3.410 1.00 0.00 H HETATM 66 H19 UNL 1 -3.209 -0.205 2.636 1.00 0.00 H HETATM 67 H20 UNL 1 -1.926 1.468 0.876 1.00 0.00 H HETATM 68 H21 UNL 1 -0.789 1.675 -1.217 1.00 0.00 H HETATM 69 H22 UNL 1 -0.354 -0.113 -1.164 1.00 0.00 H HETATM 70 H23 UNL 1 -0.143 1.745 1.222 1.00 0.00 H HETATM 71 H24 UNL 1 1.216 1.790 0.129 1.00 0.00 H HETATM 72 H25 UNL 1 0.960 0.420 3.266 1.00 0.00 H HETATM 73 H26 UNL 1 1.671 1.661 2.253 1.00 0.00 H HETATM 74 H27 UNL 1 2.610 0.230 2.605 1.00 0.00 H HETATM 75 H28 UNL 1 1.438 -0.869 -0.805 1.00 0.00 H HETATM 76 H29 UNL 1 2.452 -0.173 -2.070 1.00 0.00 H HETATM 77 H30 UNL 1 5.546 0.036 -0.144 1.00 0.00 H HETATM 78 H31 UNL 1 7.664 0.303 -1.476 1.00 0.00 H HETATM 79 H32 UNL 1 6.735 0.023 -2.963 1.00 0.00 H HETATM 80 H33 UNL 1 6.925 -1.781 -0.761 1.00 0.00 H HETATM 81 H34 UNL 1 6.229 2.194 -0.468 1.00 0.00 H HETATM 82 H35 UNL 1 6.427 3.227 -2.282 1.00 0.00 H HETATM 83 H36 UNL 1 4.305 3.584 -1.226 1.00 0.00 H HETATM 84 H37 UNL 1 3.875 3.013 0.886 1.00 0.00 H HETATM 85 H38 UNL 1 3.868 1.780 -2.948 1.00 0.00 H HETATM 86 H39 UNL 1 2.052 3.284 -1.720 1.00 0.00 H HETATM 87 H40 UNL 1 4.367 -1.111 1.903 1.00 0.00 H HETATM 88 H41 UNL 1 5.116 -3.558 1.952 1.00 0.00 H HETATM 89 H42 UNL 1 1.757 -3.492 -0.535 1.00 0.00 H HETATM 90 H43 UNL 1 -1.246 -2.494 2.751 1.00 0.00 H HETATM 91 H44 UNL 1 2.556 -2.582 4.346 1.00 0.00 H CONECT 1 2 48 49 50 CONECT 2 3 4 13 CONECT 3 51 52 53 CONECT 4 5 CONECT 5 6 54 55 CONECT 6 7 13 19 CONECT 7 8 9 56 CONECT 8 57 CONECT 9 10 58 59 CONECT 10 11 11 12 CONECT 12 60 CONECT 13 14 61 CONECT 14 15 62 63 CONECT 15 16 16 17 CONECT 17 18 19 42 CONECT 18 64 65 66 CONECT 19 20 67 CONECT 20 21 68 69 CONECT 21 22 70 71 CONECT 22 23 24 42 CONECT 23 72 73 74 CONECT 24 25 37 75 CONECT 25 26 CONECT 26 27 35 76 CONECT 27 28 CONECT 28 29 31 77 CONECT 29 30 78 79 CONECT 30 80 CONECT 31 32 33 81 CONECT 32 82 CONECT 33 34 35 83 CONECT 34 84 CONECT 35 36 85 CONECT 36 86 CONECT 37 38 41 41 CONECT 38 39 39 87 CONECT 39 40 88 CONECT 40 41 CONECT 41 89 CONECT 42 43 44 CONECT 43 44 CONECT 44 45 90 CONECT 45 46 46 47 CONECT 47 91 END