COMPND HMDB0029478 HETATM 1 O1 UNL 1 2.228 1.372 -2.750 1.00 0.00 O HETATM 2 C1 UNL 1 2.750 0.832 -1.746 1.00 0.00 C HETATM 3 C2 UNL 1 4.040 0.320 -1.816 1.00 0.00 C HETATM 4 C3 UNL 1 4.676 -0.287 -0.763 1.00 0.00 C HETATM 5 C4 UNL 1 6.018 -0.851 -0.807 1.00 0.00 C HETATM 6 C5 UNL 1 6.953 -0.524 -1.750 1.00 0.00 C HETATM 7 C6 UNL 1 8.169 -1.197 -1.766 1.00 0.00 C HETATM 8 C7 UNL 1 8.472 -2.183 -0.867 1.00 0.00 C HETATM 9 O2 UNL 1 9.708 -2.813 -0.950 1.00 0.00 O HETATM 10 C8 UNL 1 7.518 -2.518 0.094 1.00 0.00 C HETATM 11 O3 UNL 1 7.818 -3.517 1.007 1.00 0.00 O HETATM 12 C9 UNL 1 6.317 -1.848 0.104 1.00 0.00 C HETATM 13 O4 UNL 1 3.963 -0.351 0.373 1.00 0.00 O HETATM 14 C10 UNL 1 2.752 0.124 0.476 1.00 0.00 C HETATM 15 C11 UNL 1 2.112 0.012 1.726 1.00 0.00 C HETATM 16 C12 UNL 1 0.853 0.492 1.904 1.00 0.00 C HETATM 17 O5 UNL 1 0.270 0.352 3.166 1.00 0.00 O HETATM 18 C13 UNL 1 0.149 1.100 0.891 1.00 0.00 C HETATM 19 C14 UNL 1 -1.124 1.776 1.156 1.00 0.00 C HETATM 20 O6 UNL 1 -1.403 2.118 2.460 1.00 0.00 O HETATM 21 C15 UNL 1 -2.222 3.277 2.366 1.00 0.00 C HETATM 22 C16 UNL 1 -2.150 4.181 3.537 1.00 0.00 C HETATM 23 O7 UNL 1 -0.842 4.717 3.663 1.00 0.00 O HETATM 24 C17 UNL 1 -3.599 2.929 1.863 1.00 0.00 C HETATM 25 O8 UNL 1 -4.060 3.786 0.863 1.00 0.00 O HETATM 26 C18 UNL 1 -3.526 1.515 1.355 1.00 0.00 C HETATM 27 O9 UNL 1 -3.190 0.723 2.406 1.00 0.00 O HETATM 28 C19 UNL 1 -2.287 1.511 0.324 1.00 0.00 C HETATM 29 O10 UNL 1 -2.288 0.202 -0.151 1.00 0.00 O HETATM 30 C20 UNL 1 -2.973 -0.076 -1.280 1.00 0.00 C HETATM 31 O11 UNL 1 -4.127 -0.799 -0.767 1.00 0.00 O HETATM 32 C21 UNL 1 -3.736 -2.120 -0.570 1.00 0.00 C HETATM 33 C22 UNL 1 -4.679 -2.804 0.383 1.00 0.00 C HETATM 34 O12 UNL 1 -4.657 -2.209 1.657 1.00 0.00 O HETATM 35 C23 UNL 1 -3.812 -2.851 -1.902 1.00 0.00 C HETATM 36 O13 UNL 1 -5.204 -3.083 -2.083 1.00 0.00 O HETATM 37 C24 UNL 1 -3.307 -1.876 -2.944 1.00 0.00 C HETATM 38 O14 UNL 1 -4.371 -1.190 -3.507 1.00 0.00 O HETATM 39 C25 UNL 1 -2.339 -0.835 -2.375 1.00 0.00 C HETATM 40 O15 UNL 1 -1.097 -1.370 -2.148 1.00 0.00 O HETATM 41 C26 UNL 1 0.804 1.207 -0.358 1.00 0.00 C HETATM 42 O16 UNL 1 0.104 1.811 -1.358 1.00 0.00 O HETATM 43 C27 UNL 1 2.074 0.737 -0.572 1.00 0.00 C HETATM 44 H1 UNL 1 4.594 0.409 -2.780 1.00 0.00 H HETATM 45 H2 UNL 1 6.743 0.283 -2.477 1.00 0.00 H HETATM 46 H3 UNL 1 8.877 -0.900 -2.553 1.00 0.00 H HETATM 47 H4 UNL 1 9.936 -3.547 -0.280 1.00 0.00 H HETATM 48 H5 UNL 1 7.129 -3.830 1.720 1.00 0.00 H HETATM 49 H6 UNL 1 5.587 -2.158 0.886 1.00 0.00 H HETATM 50 H7 UNL 1 2.652 -0.479 2.556 1.00 0.00 H HETATM 51 H8 UNL 1 0.694 -0.084 3.953 1.00 0.00 H HETATM 52 H9 UNL 1 -0.779 2.901 0.766 1.00 0.00 H HETATM 53 H10 UNL 1 -1.765 3.861 1.489 1.00 0.00 H HETATM 54 H11 UNL 1 -2.823 5.038 3.403 1.00 0.00 H HETATM 55 H12 UNL 1 -2.335 3.690 4.529 1.00 0.00 H HETATM 56 H13 UNL 1 -0.441 4.630 2.743 1.00 0.00 H HETATM 57 H14 UNL 1 -4.275 2.897 2.749 1.00 0.00 H HETATM 58 H15 UNL 1 -4.761 3.324 0.355 1.00 0.00 H HETATM 59 H16 UNL 1 -4.409 1.221 0.860 1.00 0.00 H HETATM 60 H17 UNL 1 -3.580 0.924 3.272 1.00 0.00 H HETATM 61 H18 UNL 1 -2.639 2.209 -0.383 1.00 0.00 H HETATM 62 H19 UNL 1 -3.434 0.847 -1.685 1.00 0.00 H HETATM 63 H20 UNL 1 -2.724 -2.209 -0.092 1.00 0.00 H HETATM 64 H21 UNL 1 -4.383 -3.881 0.560 1.00 0.00 H HETATM 65 H22 UNL 1 -5.741 -2.840 0.001 1.00 0.00 H HETATM 66 H23 UNL 1 -3.830 -1.678 1.674 1.00 0.00 H HETATM 67 H24 UNL 1 -3.227 -3.779 -1.868 1.00 0.00 H HETATM 68 H25 UNL 1 -5.460 -3.939 -1.685 1.00 0.00 H HETATM 69 H26 UNL 1 -2.778 -2.406 -3.794 1.00 0.00 H HETATM 70 H27 UNL 1 -5.143 -1.038 -2.887 1.00 0.00 H HETATM 71 H28 UNL 1 -2.218 -0.118 -3.263 1.00 0.00 H HETATM 72 H29 UNL 1 -0.480 -1.190 -2.932 1.00 0.00 H HETATM 73 H30 UNL 1 0.256 2.050 -2.284 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 43 CONECT 3 4 4 44 CONECT 4 5 13 CONECT 5 6 6 12 CONECT 6 7 45 CONECT 7 8 8 46 CONECT 8 9 10 CONECT 9 47 CONECT 10 11 12 12 CONECT 11 48 CONECT 12 49 CONECT 13 14 CONECT 14 15 15 43 CONECT 15 16 50 CONECT 16 17 18 18 CONECT 17 51 CONECT 18 19 41 CONECT 19 20 28 52 CONECT 20 21 CONECT 21 22 24 53 CONECT 22 23 54 55 CONECT 23 56 CONECT 24 25 26 57 CONECT 25 58 CONECT 26 27 28 59 CONECT 27 60 CONECT 28 29 61 CONECT 29 30 CONECT 30 31 39 62 CONECT 31 32 CONECT 32 33 35 63 CONECT 33 34 64 65 CONECT 34 66 CONECT 35 36 37 67 CONECT 36 68 CONECT 37 38 39 69 CONECT 38 70 CONECT 39 40 71 CONECT 40 72 CONECT 41 42 43 43 CONECT 42 73 END