COMPND HMDB0041746 HETATM 1 C1 UNL 1 10.046 0.627 0.055 1.00 0.00 C HETATM 2 O1 UNL 1 9.115 0.775 1.103 1.00 0.00 O HETATM 3 C2 UNL 1 7.763 0.794 0.795 1.00 0.00 C HETATM 4 C3 UNL 1 7.329 0.671 -0.508 1.00 0.00 C HETATM 5 C4 UNL 1 6.002 0.683 -0.869 1.00 0.00 C HETATM 6 C5 UNL 1 5.029 0.826 0.115 1.00 0.00 C HETATM 7 C6 UNL 1 3.625 0.850 -0.186 1.00 0.00 C HETATM 8 C7 UNL 1 3.098 1.602 -1.223 1.00 0.00 C HETATM 9 O2 UNL 1 1.814 1.609 -1.476 1.00 0.00 O HETATM 10 C8 UNL 1 0.949 0.910 -0.771 1.00 0.00 C HETATM 11 C9 UNL 1 -0.405 0.954 -1.083 1.00 0.00 C HETATM 12 C10 UNL 1 -1.321 0.200 -0.319 1.00 0.00 C HETATM 13 O3 UNL 1 -2.600 0.296 -0.679 1.00 0.00 O HETATM 14 C11 UNL 1 -3.824 -0.136 -0.314 1.00 0.00 C HETATM 15 O4 UNL 1 -4.334 -1.051 -1.278 1.00 0.00 O HETATM 16 C12 UNL 1 -5.606 -1.467 -1.003 1.00 0.00 C HETATM 17 C13 UNL 1 -6.569 -1.179 -2.100 1.00 0.00 C HETATM 18 O5 UNL 1 -7.768 -1.522 -1.939 1.00 0.00 O HETATM 19 O6 UNL 1 -6.237 -0.562 -3.280 1.00 0.00 O HETATM 20 C14 UNL 1 -6.191 -0.997 0.285 1.00 0.00 C HETATM 21 O7 UNL 1 -5.809 -1.823 1.367 1.00 0.00 O HETATM 22 C15 UNL 1 -5.992 0.454 0.577 1.00 0.00 C HETATM 23 O8 UNL 1 -7.154 1.209 0.504 1.00 0.00 O HETATM 24 C16 UNL 1 -4.896 0.975 -0.326 1.00 0.00 C HETATM 25 O9 UNL 1 -4.368 2.173 0.121 1.00 0.00 O HETATM 26 C17 UNL 1 -0.813 -0.554 0.712 1.00 0.00 C HETATM 27 O10 UNL 1 -1.689 -1.304 1.469 1.00 0.00 O HETATM 28 C18 UNL 1 -1.944 -2.676 1.128 1.00 0.00 C HETATM 29 C19 UNL 1 0.508 -0.612 1.037 1.00 0.00 C HETATM 30 O11 UNL 1 0.958 -1.385 2.086 1.00 0.00 O HETATM 31 C20 UNL 1 1.407 0.146 0.267 1.00 0.00 C HETATM 32 C21 UNL 1 2.747 0.115 0.561 1.00 0.00 C HETATM 33 O12 UNL 1 3.141 -0.611 1.539 1.00 0.00 O HETATM 34 C22 UNL 1 5.459 0.949 1.420 1.00 0.00 C HETATM 35 C23 UNL 1 6.793 0.935 1.771 1.00 0.00 C HETATM 36 H1 UNL 1 9.855 1.452 -0.685 1.00 0.00 H HETATM 37 H2 UNL 1 9.830 -0.350 -0.449 1.00 0.00 H HETATM 38 H3 UNL 1 11.070 0.681 0.460 1.00 0.00 H HETATM 39 H4 UNL 1 8.109 0.558 -1.277 1.00 0.00 H HETATM 40 H5 UNL 1 5.669 0.586 -1.895 1.00 0.00 H HETATM 41 H6 UNL 1 3.822 2.181 -1.805 1.00 0.00 H HETATM 42 H7 UNL 1 -0.734 1.566 -1.907 1.00 0.00 H HETATM 43 H8 UNL 1 -3.891 -0.710 0.630 1.00 0.00 H HETATM 44 H9 UNL 1 -5.568 -2.596 -0.944 1.00 0.00 H HETATM 45 H10 UNL 1 -6.627 0.369 -3.454 1.00 0.00 H HETATM 46 H11 UNL 1 -7.308 -1.156 0.209 1.00 0.00 H HETATM 47 H12 UNL 1 -5.748 -1.323 2.210 1.00 0.00 H HETATM 48 H13 UNL 1 -5.573 0.516 1.624 1.00 0.00 H HETATM 49 H14 UNL 1 -7.210 1.832 1.277 1.00 0.00 H HETATM 50 H15 UNL 1 -5.268 1.146 -1.357 1.00 0.00 H HETATM 51 H16 UNL 1 -4.583 2.316 1.060 1.00 0.00 H HETATM 52 H17 UNL 1 -1.784 -2.879 0.069 1.00 0.00 H HETATM 53 H18 UNL 1 -3.020 -2.863 1.391 1.00 0.00 H HETATM 54 H19 UNL 1 -1.365 -3.383 1.741 1.00 0.00 H HETATM 55 H20 UNL 1 0.286 -1.911 2.625 1.00 0.00 H HETATM 56 H21 UNL 1 4.684 1.061 2.186 1.00 0.00 H HETATM 57 H22 UNL 1 7.092 1.035 2.808 1.00 0.00 H CONECT 1 2 36 37 38 CONECT 2 3 CONECT 3 4 4 35 CONECT 4 5 39 CONECT 5 6 6 40 CONECT 6 7 34 CONECT 7 8 8 32 CONECT 8 9 41 CONECT 9 10 CONECT 10 11 11 31 CONECT 11 12 42 CONECT 12 13 26 26 CONECT 13 14 CONECT 14 15 24 43 CONECT 15 16 CONECT 16 17 20 44 CONECT 17 18 18 19 CONECT 19 45 CONECT 20 21 22 46 CONECT 21 47 CONECT 22 23 24 48 CONECT 23 49 CONECT 24 25 50 CONECT 25 51 CONECT 26 27 29 CONECT 27 28 CONECT 28 52 53 54 CONECT 29 30 31 31 CONECT 30 55 CONECT 31 32 CONECT 32 33 33 CONECT 34 35 35 56 CONECT 35 57 END