COMPND HMDB0253735 HETATM 1 C1 UNL 1 -4.804 2.697 4.186 1.00 0.00 C HETATM 2 O1 UNL 1 -3.416 2.457 3.979 1.00 0.00 O HETATM 3 C2 UNL 1 -2.863 2.249 2.747 1.00 0.00 C HETATM 4 C3 UNL 1 -1.494 2.028 2.668 1.00 0.00 C HETATM 5 C4 UNL 1 -0.893 1.813 1.468 1.00 0.00 C HETATM 6 C5 UNL 1 -1.609 1.803 0.261 1.00 0.00 C HETATM 7 C6 UNL 1 -0.913 1.527 -0.994 1.00 0.00 C HETATM 8 N1 UNL 1 -0.656 0.185 -1.431 1.00 0.00 N HETATM 9 C7 UNL 1 -1.519 -0.667 -1.999 1.00 0.00 C HETATM 10 C8 UNL 1 -2.959 -0.564 -2.277 1.00 0.00 C HETATM 11 C9 UNL 1 -3.760 -1.127 -1.153 1.00 0.00 C HETATM 12 C10 UNL 1 -3.513 -2.561 -0.951 1.00 0.00 C HETATM 13 C11 UNL 1 -2.518 -3.027 -0.147 1.00 0.00 C HETATM 14 C12 UNL 1 -2.326 -4.406 0.020 1.00 0.00 C HETATM 15 C13 UNL 1 -3.172 -5.280 -0.652 1.00 0.00 C HETATM 16 C14 UNL 1 -4.174 -4.828 -1.461 1.00 0.00 C HETATM 17 C15 UNL 1 -4.329 -3.467 -1.598 1.00 0.00 C HETATM 18 N2 UNL 1 -0.783 -1.764 -2.359 1.00 0.00 N HETATM 19 N3 UNL 1 0.443 -1.599 -2.039 1.00 0.00 N HETATM 20 C16 UNL 1 0.591 -0.366 -1.441 1.00 0.00 C HETATM 21 C17 UNL 1 1.911 0.115 -1.027 1.00 0.00 C HETATM 22 C18 UNL 1 2.370 1.079 -2.148 1.00 0.00 C HETATM 23 C19 UNL 1 3.676 1.668 -1.894 1.00 0.00 C HETATM 24 C20 UNL 1 3.949 2.958 -1.484 1.00 0.00 C HETATM 25 N4 UNL 1 5.298 3.136 -1.344 1.00 0.00 N HETATM 26 C21 UNL 1 5.852 1.961 -1.667 1.00 0.00 C HETATM 27 C22 UNL 1 7.187 1.612 -1.680 1.00 0.00 C HETATM 28 C23 UNL 1 7.571 0.316 -2.042 1.00 0.00 C HETATM 29 C24 UNL 1 6.627 -0.627 -2.391 1.00 0.00 C HETATM 30 C25 UNL 1 5.314 -0.241 -2.365 1.00 0.00 C HETATM 31 C26 UNL 1 4.895 1.046 -2.006 1.00 0.00 C HETATM 32 N5 UNL 1 2.256 0.340 0.240 1.00 0.00 N HETATM 33 C27 UNL 1 2.608 0.571 1.526 1.00 0.00 C HETATM 34 O2 UNL 1 3.081 1.574 2.108 1.00 0.00 O HETATM 35 C28 UNL 1 2.395 -0.605 2.491 1.00 0.00 C HETATM 36 C29 UNL 1 2.308 -1.861 1.943 1.00 0.00 C HETATM 37 C30 UNL 1 2.063 -2.936 2.792 1.00 0.00 C HETATM 38 C31 UNL 1 1.925 -2.681 4.117 1.00 0.00 C HETATM 39 C32 UNL 1 2.019 -1.399 4.652 1.00 0.00 C HETATM 40 N6 UNL 1 2.256 -0.397 3.788 1.00 0.00 N HETATM 41 C33 UNL 1 -2.963 2.025 0.340 1.00 0.00 C HETATM 42 O3 UNL 1 -3.729 2.048 -0.783 1.00 0.00 O HETATM 43 C34 UNL 1 -5.118 2.271 -0.759 1.00 0.00 C HETATM 44 C35 UNL 1 -3.588 2.246 1.586 1.00 0.00 C HETATM 45 H1 UNL 1 -5.187 3.541 3.625 1.00 0.00 H HETATM 46 H2 UNL 1 -4.932 2.861 5.268 1.00 0.00 H HETATM 47 H3 UNL 1 -5.322 1.719 3.987 1.00 0.00 H HETATM 48 H4 UNL 1 -0.918 2.024 3.588 1.00 0.00 H HETATM 49 H5 UNL 1 0.162 1.664 1.418 1.00 0.00 H HETATM 50 H6 UNL 1 -1.373 2.119 -1.841 1.00 0.00 H HETATM 51 H7 UNL 1 0.088 2.072 -0.873 1.00 0.00 H HETATM 52 H8 UNL 1 -3.214 -1.242 -3.180 1.00 0.00 H HETATM 53 H9 UNL 1 -3.295 0.416 -2.666 1.00 0.00 H HETATM 54 H10 UNL 1 -3.554 -0.639 -0.156 1.00 0.00 H HETATM 55 H11 UNL 1 -4.842 -0.921 -1.363 1.00 0.00 H HETATM 56 H12 UNL 1 -1.840 -2.381 0.387 1.00 0.00 H HETATM 57 H13 UNL 1 -1.553 -4.765 0.642 1.00 0.00 H HETATM 58 H14 UNL 1 -2.988 -6.343 -0.493 1.00 0.00 H HETATM 59 H15 UNL 1 -4.812 -5.551 -1.965 1.00 0.00 H HETATM 60 H16 UNL 1 -5.117 -3.079 -2.237 1.00 0.00 H HETATM 61 H17 UNL 1 2.684 -0.789 -1.326 1.00 0.00 H HETATM 62 H18 UNL 1 2.420 0.449 -3.090 1.00 0.00 H HETATM 63 H19 UNL 1 1.634 1.843 -2.373 1.00 0.00 H HETATM 64 H20 UNL 1 3.265 3.766 -1.278 1.00 0.00 H HETATM 65 H21 UNL 1 5.786 4.000 -1.048 1.00 0.00 H HETATM 66 H22 UNL 1 7.974 2.293 -1.422 1.00 0.00 H HETATM 67 H23 UNL 1 8.593 0.003 -2.056 1.00 0.00 H HETATM 68 H24 UNL 1 6.872 -1.634 -2.674 1.00 0.00 H HETATM 69 H25 UNL 1 4.580 -0.994 -2.653 1.00 0.00 H HETATM 70 H26 UNL 1 2.532 1.645 -0.034 1.00 0.00 H HETATM 71 H27 UNL 1 2.428 -2.046 0.879 1.00 0.00 H HETATM 72 H28 UNL 1 1.994 -3.936 2.354 1.00 0.00 H HETATM 73 H29 UNL 1 1.731 -3.527 4.777 1.00 0.00 H HETATM 74 H30 UNL 1 1.909 -1.212 5.703 1.00 0.00 H HETATM 75 H31 UNL 1 -5.375 3.322 -0.504 1.00 0.00 H HETATM 76 H32 UNL 1 -5.596 1.580 -0.037 1.00 0.00 H HETATM 77 H33 UNL 1 -5.575 2.002 -1.757 1.00 0.00 H HETATM 78 H34 UNL 1 -4.659 2.416 1.573 1.00 0.00 H CONECT 1 2 45 46 47 CONECT 2 3 CONECT 3 4 4 44 CONECT 4 5 48 CONECT 5 6 6 49 CONECT 6 7 41 CONECT 7 8 50 51 CONECT 8 9 20 CONECT 9 10 18 18 CONECT 10 11 52 53 CONECT 11 12 54 55 CONECT 12 13 13 17 CONECT 13 14 56 CONECT 14 15 15 57 CONECT 15 16 58 CONECT 16 17 17 59 CONECT 17 60 CONECT 18 19 CONECT 19 20 20 CONECT 20 21 CONECT 21 22 32 61 CONECT 22 23 62 63 CONECT 23 24 24 31 CONECT 24 25 64 CONECT 25 26 65 CONECT 26 27 27 31 CONECT 27 28 66 CONECT 28 29 29 67 CONECT 29 30 68 CONECT 30 31 31 69 CONECT 32 33 70 CONECT 33 34 34 35 CONECT 35 36 36 40 CONECT 36 37 71 CONECT 37 38 38 72 CONECT 38 39 73 CONECT 39 40 40 74 CONECT 41 42 44 44 CONECT 42 43 CONECT 43 75 76 77 CONECT 44 78 END