COMPND HMDB0014832 HETATM 1 C1 UNL 1 5.366 -4.603 0.406 1.00 0.00 C HETATM 2 O1 UNL 1 4.646 -3.412 0.210 1.00 0.00 O HETATM 3 C2 UNL 1 5.249 -2.271 -0.255 1.00 0.00 C HETATM 4 C3 UNL 1 6.591 -2.177 -0.570 1.00 0.00 C HETATM 5 C4 UNL 1 7.160 -0.992 -1.040 1.00 0.00 C HETATM 6 C5 UNL 1 6.363 0.120 -1.197 1.00 0.00 C HETATM 7 C6 UNL 1 5.016 0.048 -0.888 1.00 0.00 C HETATM 8 C7 UNL 1 4.476 -1.116 -0.430 1.00 0.00 C HETATM 9 C8 UNL 1 3.050 -1.176 -0.108 1.00 0.00 C HETATM 10 O2 UNL 1 2.573 -2.265 0.315 1.00 0.00 O HETATM 11 C9 UNL 1 2.232 0.025 -0.287 1.00 0.00 C HETATM 12 C10 UNL 1 0.891 -0.057 0.023 1.00 0.00 C HETATM 13 O3 UNL 1 0.274 -1.188 0.491 1.00 0.00 O HETATM 14 C11 UNL 1 0.045 1.049 -0.123 1.00 0.00 C HETATM 15 C12 UNL 1 0.596 2.216 -0.582 1.00 0.00 C HETATM 16 C13 UNL 1 1.929 2.309 -0.894 1.00 0.00 C HETATM 17 O4 UNL 1 2.421 3.502 -1.350 1.00 0.00 O HETATM 18 C14 UNL 1 2.778 1.212 -0.753 1.00 0.00 C HETATM 19 C15 UNL 1 4.189 1.259 -1.068 1.00 0.00 C HETATM 20 O5 UNL 1 4.722 2.309 -1.491 1.00 0.00 O HETATM 21 C16 UNL 1 -0.300 3.374 -0.705 1.00 0.00 C HETATM 22 C17 UNL 1 -0.983 3.505 0.659 1.00 0.00 C HETATM 23 O6 UNL 1 0.086 3.736 1.558 1.00 0.00 O HETATM 24 C18 UNL 1 -1.851 4.692 0.694 1.00 0.00 C HETATM 25 C19 UNL 1 -1.555 5.859 1.556 1.00 0.00 C HETATM 26 O7 UNL 1 -2.842 4.709 -0.010 1.00 0.00 O HETATM 27 C20 UNL 1 -1.689 2.262 1.091 1.00 0.00 C HETATM 28 C21 UNL 1 -1.403 1.058 0.177 1.00 0.00 C HETATM 29 O8 UNL 1 -1.838 -0.122 0.674 1.00 0.00 O HETATM 30 C22 UNL 1 -2.909 -0.662 -0.067 1.00 0.00 C HETATM 31 C23 UNL 1 -2.608 -2.034 -0.487 1.00 0.00 C HETATM 32 C24 UNL 1 -3.802 -2.879 -0.851 1.00 0.00 C HETATM 33 N1 UNL 1 -4.023 -2.919 -2.286 1.00 0.00 N HETATM 34 C25 UNL 1 -5.054 -2.423 -0.109 1.00 0.00 C HETATM 35 O9 UNL 1 -5.679 -1.475 -0.916 1.00 0.00 O HETATM 36 C26 UNL 1 -4.529 -1.734 1.157 1.00 0.00 C HETATM 37 C27 UNL 1 -5.575 -1.637 2.212 1.00 0.00 C HETATM 38 O10 UNL 1 -4.032 -0.524 0.744 1.00 0.00 O HETATM 39 H1 UNL 1 4.642 -5.466 0.467 1.00 0.00 H HETATM 40 H2 UNL 1 5.941 -4.551 1.349 1.00 0.00 H HETATM 41 H3 UNL 1 6.085 -4.748 -0.419 1.00 0.00 H HETATM 42 H4 UNL 1 7.212 -3.049 -0.446 1.00 0.00 H HETATM 43 H5 UNL 1 8.202 -0.994 -1.262 1.00 0.00 H HETATM 44 H6 UNL 1 6.770 1.051 -1.558 1.00 0.00 H HETATM 45 H7 UNL 1 0.479 -2.083 0.714 1.00 0.00 H HETATM 46 H8 UNL 1 3.296 3.763 -1.613 1.00 0.00 H HETATM 47 H9 UNL 1 -1.107 3.186 -1.459 1.00 0.00 H HETATM 48 H10 UNL 1 0.207 4.316 -0.913 1.00 0.00 H HETATM 49 H11 UNL 1 0.290 2.937 2.081 1.00 0.00 H HETATM 50 H12 UNL 1 -2.216 5.933 2.438 1.00 0.00 H HETATM 51 H13 UNL 1 -0.513 5.850 1.937 1.00 0.00 H HETATM 52 H14 UNL 1 -1.710 6.782 0.958 1.00 0.00 H HETATM 53 H15 UNL 1 -2.792 2.455 0.981 1.00 0.00 H HETATM 54 H16 UNL 1 -1.420 2.043 2.142 1.00 0.00 H HETATM 55 H17 UNL 1 -1.931 1.345 -0.792 1.00 0.00 H HETATM 56 H18 UNL 1 -3.081 0.058 -0.908 1.00 0.00 H HETATM 57 H19 UNL 1 -2.044 -2.592 0.306 1.00 0.00 H HETATM 58 H20 UNL 1 -1.935 -2.015 -1.368 1.00 0.00 H HETATM 59 H21 UNL 1 -3.639 -3.929 -0.536 1.00 0.00 H HETATM 60 H22 UNL 1 -3.400 -3.655 -2.697 1.00 0.00 H HETATM 61 H23 UNL 1 -5.004 -3.270 -2.428 1.00 0.00 H HETATM 62 H24 UNL 1 -5.706 -3.268 0.150 1.00 0.00 H HETATM 63 H25 UNL 1 -5.520 -0.541 -0.602 1.00 0.00 H HETATM 64 H26 UNL 1 -3.677 -2.356 1.503 1.00 0.00 H HETATM 65 H27 UNL 1 -6.517 -1.237 1.804 1.00 0.00 H HETATM 66 H28 UNL 1 -5.220 -0.926 2.984 1.00 0.00 H HETATM 67 H29 UNL 1 -5.673 -2.617 2.708 1.00 0.00 H CONECT 1 2 39 40 41 CONECT 2 3 CONECT 3 4 4 8 CONECT 4 5 42 CONECT 5 6 6 43 CONECT 6 7 44 CONECT 7 8 8 19 CONECT 8 9 CONECT 9 10 10 11 CONECT 11 12 12 18 CONECT 12 13 14 CONECT 13 45 CONECT 14 15 15 28 CONECT 15 16 21 CONECT 16 17 18 18 CONECT 17 46 CONECT 18 19 CONECT 19 20 20 CONECT 21 22 47 48 CONECT 22 23 24 27 CONECT 23 49 CONECT 24 25 26 26 CONECT 25 50 51 52 CONECT 27 28 53 54 CONECT 28 29 55 CONECT 29 30 CONECT 30 31 38 56 CONECT 31 32 57 58 CONECT 32 33 34 59 CONECT 33 60 61 CONECT 34 35 36 62 CONECT 35 63 CONECT 36 37 38 64 CONECT 37 65 66 67 END