COMPND HMDB0256087 HETATM 1 C1 UNL 1 9.188 -3.180 -0.185 1.00 0.00 C HETATM 2 C2 UNL 1 9.054 -1.766 -0.765 1.00 0.00 C HETATM 3 C3 UNL 1 8.177 -1.865 -2.011 1.00 0.00 C HETATM 4 C4 UNL 1 8.003 -0.510 -2.634 1.00 0.00 C HETATM 5 C5 UNL 1 7.423 0.566 -1.841 1.00 0.00 C HETATM 6 C6 UNL 1 6.081 0.544 -1.277 1.00 0.00 C HETATM 7 C7 UNL 1 5.652 -0.448 -0.293 1.00 0.00 C HETATM 8 C8 UNL 1 4.183 -0.176 0.084 1.00 0.00 C HETATM 9 C9 UNL 1 3.960 1.162 0.682 1.00 0.00 C HETATM 10 C10 UNL 1 2.500 1.403 1.055 1.00 0.00 C HETATM 11 C11 UNL 1 2.031 0.399 2.056 1.00 0.00 C HETATM 12 C12 UNL 1 0.593 0.601 2.453 1.00 0.00 C HETATM 13 C13 UNL 1 0.412 1.945 3.064 1.00 0.00 C HETATM 14 C14 UNL 1 -1.012 2.206 3.496 1.00 0.00 C HETATM 15 C15 UNL 1 -2.012 2.133 2.370 1.00 0.00 C HETATM 16 C16 UNL 1 -1.781 3.113 1.301 1.00 0.00 C HETATM 17 O1 UNL 1 -0.815 3.931 1.295 1.00 0.00 O HETATM 18 N1 UNL 1 -2.669 3.176 0.199 1.00 0.00 N HETATM 19 C17 UNL 1 -3.792 2.333 0.087 1.00 0.00 C HETATM 20 C18 UNL 1 -4.614 2.448 -1.027 1.00 0.00 C HETATM 21 C19 UNL 1 -5.741 1.631 -1.170 1.00 0.00 C HETATM 22 N2 UNL 1 -6.033 0.735 -0.236 1.00 0.00 N HETATM 23 C20 UNL 1 -7.203 -0.099 -0.402 1.00 0.00 C HETATM 24 O2 UNL 1 -7.017 -1.411 -0.015 1.00 0.00 O HETATM 25 C21 UNL 1 -7.781 -2.228 -0.816 1.00 0.00 C HETATM 26 C22 UNL 1 -8.589 -3.230 -0.057 1.00 0.00 C HETATM 27 O3 UNL 1 -9.322 -4.002 -0.928 1.00 0.00 O HETATM 28 C23 UNL 1 -8.599 -1.366 -1.744 1.00 0.00 C HETATM 29 O4 UNL 1 -9.750 -0.928 -1.082 1.00 0.00 O HETATM 30 C24 UNL 1 -7.685 -0.134 -1.837 1.00 0.00 C HETATM 31 O5 UNL 1 -6.595 -0.464 -2.642 1.00 0.00 O HETATM 32 C25 UNL 1 -5.236 0.623 0.846 1.00 0.00 C HETATM 33 O6 UNL 1 -5.524 -0.230 1.723 1.00 0.00 O HETATM 34 N3 UNL 1 -4.155 1.408 0.981 1.00 0.00 N HETATM 35 H1 UNL 1 9.355 -3.891 -1.024 1.00 0.00 H HETATM 36 H2 UNL 1 8.223 -3.478 0.300 1.00 0.00 H HETATM 37 H3 UNL 1 9.956 -3.230 0.598 1.00 0.00 H HETATM 38 H4 UNL 1 10.045 -1.359 -0.977 1.00 0.00 H HETATM 39 H5 UNL 1 8.519 -1.130 -0.025 1.00 0.00 H HETATM 40 H6 UNL 1 8.804 -2.514 -2.705 1.00 0.00 H HETATM 41 H7 UNL 1 7.286 -2.415 -1.758 1.00 0.00 H HETATM 42 H8 UNL 1 9.076 -0.184 -2.870 1.00 0.00 H HETATM 43 H9 UNL 1 7.579 -0.596 -3.674 1.00 0.00 H HETATM 44 H10 UNL 1 7.523 1.518 -2.477 1.00 0.00 H HETATM 45 H11 UNL 1 8.201 0.809 -1.026 1.00 0.00 H HETATM 46 H12 UNL 1 5.938 1.567 -0.778 1.00 0.00 H HETATM 47 H13 UNL 1 5.312 0.621 -2.116 1.00 0.00 H HETATM 48 H14 UNL 1 6.182 -0.338 0.705 1.00 0.00 H HETATM 49 H15 UNL 1 5.669 -1.503 -0.541 1.00 0.00 H HETATM 50 H16 UNL 1 3.553 -0.356 -0.808 1.00 0.00 H HETATM 51 H17 UNL 1 3.965 -0.941 0.876 1.00 0.00 H HETATM 52 H18 UNL 1 4.545 1.353 1.599 1.00 0.00 H HETATM 53 H19 UNL 1 4.189 2.002 -0.034 1.00 0.00 H HETATM 54 H20 UNL 1 2.500 2.450 1.470 1.00 0.00 H HETATM 55 H21 UNL 1 1.902 1.437 0.142 1.00 0.00 H HETATM 56 H22 UNL 1 2.709 0.426 2.934 1.00 0.00 H HETATM 57 H23 UNL 1 2.132 -0.612 1.570 1.00 0.00 H HETATM 58 H24 UNL 1 -0.008 0.467 1.512 1.00 0.00 H HETATM 59 H25 UNL 1 0.339 -0.213 3.163 1.00 0.00 H HETATM 60 H26 UNL 1 0.783 2.744 2.430 1.00 0.00 H HETATM 61 H27 UNL 1 1.002 1.930 4.031 1.00 0.00 H HETATM 62 H28 UNL 1 -1.115 3.211 3.952 1.00 0.00 H HETATM 63 H29 UNL 1 -1.343 1.481 4.267 1.00 0.00 H HETATM 64 H30 UNL 1 -3.001 2.343 2.827 1.00 0.00 H HETATM 65 H31 UNL 1 -2.070 1.095 1.954 1.00 0.00 H HETATM 66 H32 UNL 1 -2.511 3.884 -0.586 1.00 0.00 H HETATM 67 H33 UNL 1 -4.380 3.178 -1.794 1.00 0.00 H HETATM 68 H34 UNL 1 -6.328 1.781 -2.061 1.00 0.00 H HETATM 69 H35 UNL 1 -8.046 0.312 0.210 1.00 0.00 H HETATM 70 H36 UNL 1 -7.069 -2.806 -1.471 1.00 0.00 H HETATM 71 H37 UNL 1 -9.179 -2.776 0.760 1.00 0.00 H HETATM 72 H38 UNL 1 -7.858 -3.917 0.448 1.00 0.00 H HETATM 73 H39 UNL 1 -10.111 -3.553 -1.306 1.00 0.00 H HETATM 74 H40 UNL 1 -8.804 -1.809 -2.716 1.00 0.00 H HETATM 75 H41 UNL 1 -9.621 -0.970 -0.100 1.00 0.00 H HETATM 76 H42 UNL 1 -8.218 0.763 -2.144 1.00 0.00 H HETATM 77 H43 UNL 1 -6.959 -0.844 -3.483 1.00 0.00 H CONECT 1 2 35 36 37 CONECT 2 3 38 39 CONECT 3 4 40 41 CONECT 4 5 42 43 CONECT 5 6 44 45 CONECT 6 7 46 47 CONECT 7 8 48 49 CONECT 8 9 50 51 CONECT 9 10 52 53 CONECT 10 11 54 55 CONECT 11 12 56 57 CONECT 12 13 58 59 CONECT 13 14 60 61 CONECT 14 15 62 63 CONECT 15 16 64 65 CONECT 16 17 17 18 CONECT 18 19 66 CONECT 19 20 34 34 CONECT 20 21 21 67 CONECT 21 22 68 CONECT 22 23 32 CONECT 23 24 30 69 CONECT 24 25 CONECT 25 26 28 70 CONECT 26 27 71 72 CONECT 27 73 CONECT 28 29 30 74 CONECT 29 75 CONECT 30 31 76 CONECT 31 77 CONECT 32 33 33 34 END