COMPND HMDB0030833 HETATM 1 C1 UNL 1 1.207 1.415 -4.433 1.00 0.00 C HETATM 2 O1 UNL 1 1.181 1.827 -3.069 1.00 0.00 O HETATM 3 C2 UNL 1 0.191 1.291 -2.261 1.00 0.00 C HETATM 4 C3 UNL 1 -0.758 0.384 -2.726 1.00 0.00 C HETATM 5 C4 UNL 1 -1.709 -0.101 -1.857 1.00 0.00 C HETATM 6 C5 UNL 1 -1.772 0.276 -0.508 1.00 0.00 C HETATM 7 C6 UNL 1 -2.796 -0.266 0.368 1.00 0.00 C HETATM 8 C7 UNL 1 -2.856 0.102 1.676 1.00 0.00 C HETATM 9 C8 UNL 1 -3.856 -0.434 2.509 1.00 0.00 C HETATM 10 O2 UNL 1 -3.967 -0.143 3.706 1.00 0.00 O HETATM 11 C9 UNL 1 -4.733 -1.320 1.931 1.00 0.00 C HETATM 12 C10 UNL 1 -5.739 -1.884 2.686 1.00 0.00 C HETATM 13 O3 UNL 1 -5.812 -1.519 4.023 1.00 0.00 O HETATM 14 C11 UNL 1 -6.634 -2.783 2.110 1.00 0.00 C HETATM 15 C12 UNL 1 -6.521 -3.115 0.781 1.00 0.00 C HETATM 16 O4 UNL 1 -7.399 -4.014 0.164 1.00 0.00 O HETATM 17 C13 UNL 1 -5.527 -2.557 0.033 1.00 0.00 C HETATM 18 C14 UNL 1 -4.642 -1.670 0.595 1.00 0.00 C HETATM 19 O5 UNL 1 -3.688 -1.125 -0.094 1.00 0.00 O HETATM 20 C15 UNL 1 -0.828 1.168 -0.078 1.00 0.00 C HETATM 21 C16 UNL 1 0.155 1.679 -0.945 1.00 0.00 C HETATM 22 C17 UNL 1 1.151 2.625 -0.476 1.00 0.00 C HETATM 23 C18 UNL 1 0.939 3.984 -0.523 1.00 0.00 C HETATM 24 O6 UNL 1 -0.287 4.396 -1.047 1.00 0.00 O HETATM 25 C19 UNL 1 1.886 4.863 -0.078 1.00 0.00 C HETATM 26 C20 UNL 1 3.106 4.379 0.440 1.00 0.00 C HETATM 27 O7 UNL 1 4.003 5.278 0.864 1.00 0.00 O HETATM 28 C21 UNL 1 3.321 3.016 0.489 1.00 0.00 C HETATM 29 C22 UNL 1 4.481 2.480 0.979 1.00 0.00 C HETATM 30 O8 UNL 1 5.410 3.200 1.411 1.00 0.00 O HETATM 31 C23 UNL 1 4.669 1.105 1.015 1.00 0.00 C HETATM 32 C24 UNL 1 3.666 0.300 0.548 1.00 0.00 C HETATM 33 C25 UNL 1 3.800 -1.151 0.558 1.00 0.00 C HETATM 34 C26 UNL 1 2.714 -1.877 0.057 1.00 0.00 C HETATM 35 C27 UNL 1 2.786 -3.248 0.043 1.00 0.00 C HETATM 36 C28 UNL 1 3.909 -3.893 0.513 1.00 0.00 C HETATM 37 O9 UNL 1 3.941 -5.285 0.480 1.00 0.00 O HETATM 38 C29 UNL 1 4.974 -3.215 1.003 1.00 0.00 C HETATM 39 C30 UNL 1 4.910 -1.817 1.022 1.00 0.00 C HETATM 40 O10 UNL 1 2.571 0.861 0.087 1.00 0.00 O HETATM 41 C31 UNL 1 2.335 2.130 0.026 1.00 0.00 C HETATM 42 H1 UNL 1 0.297 1.736 -4.981 1.00 0.00 H HETATM 43 H2 UNL 1 1.227 0.298 -4.482 1.00 0.00 H HETATM 44 H3 UNL 1 2.070 1.860 -4.970 1.00 0.00 H HETATM 45 H4 UNL 1 -0.711 0.092 -3.767 1.00 0.00 H HETATM 46 H5 UNL 1 -2.428 -0.797 -2.236 1.00 0.00 H HETATM 47 H6 UNL 1 -2.173 0.796 2.139 1.00 0.00 H HETATM 48 H7 UNL 1 -6.568 -1.948 4.575 1.00 0.00 H HETATM 49 H8 UNL 1 -7.415 -3.220 2.707 1.00 0.00 H HETATM 50 H9 UNL 1 -7.310 -4.252 -0.811 1.00 0.00 H HETATM 51 H10 UNL 1 -5.422 -2.802 -1.004 1.00 0.00 H HETATM 52 H11 UNL 1 -0.798 1.516 0.946 1.00 0.00 H HETATM 53 H12 UNL 1 -0.448 5.394 -1.084 1.00 0.00 H HETATM 54 H13 UNL 1 1.721 5.927 -0.115 1.00 0.00 H HETATM 55 H14 UNL 1 4.877 5.284 1.247 1.00 0.00 H HETATM 56 H15 UNL 1 5.619 0.710 1.418 1.00 0.00 H HETATM 57 H16 UNL 1 1.824 -1.363 -0.316 1.00 0.00 H HETATM 58 H17 UNL 1 1.958 -3.814 -0.340 1.00 0.00 H HETATM 59 H18 UNL 1 4.304 -5.773 -0.333 1.00 0.00 H HETATM 60 H19 UNL 1 5.843 -3.731 1.366 1.00 0.00 H HETATM 61 H20 UNL 1 5.750 -1.252 1.409 1.00 0.00 H CONECT 1 2 42 43 44 CONECT 2 3 CONECT 3 4 4 21 CONECT 4 5 45 CONECT 5 6 6 46 CONECT 6 7 20 CONECT 7 8 8 19 CONECT 8 9 47 CONECT 9 10 10 11 CONECT 11 12 12 18 CONECT 12 13 14 CONECT 13 48 CONECT 14 15 15 49 CONECT 15 16 17 CONECT 16 50 CONECT 17 18 18 51 CONECT 18 19 CONECT 20 21 21 52 CONECT 21 22 CONECT 22 23 23 41 CONECT 23 24 25 CONECT 24 53 CONECT 25 26 26 54 CONECT 26 27 28 CONECT 27 55 CONECT 28 29 41 41 CONECT 29 30 30 31 CONECT 31 32 32 56 CONECT 32 33 40 CONECT 33 34 34 39 CONECT 34 35 57 CONECT 35 36 36 58 CONECT 36 37 38 CONECT 37 59 CONECT 38 39 39 60 CONECT 39 61 CONECT 40 41 END