COMPND HMDB0037752 HETATM 1 O1 UNL 1 6.393 0.921 0.817 1.00 0.00 O HETATM 2 C1 UNL 1 5.274 0.841 1.426 1.00 0.00 C HETATM 3 O2 UNL 1 5.164 -0.075 2.437 1.00 0.00 O HETATM 4 C2 UNL 1 4.148 1.735 1.019 1.00 0.00 C HETATM 5 O3 UNL 1 3.072 1.448 1.813 1.00 0.00 O HETATM 6 C3 UNL 1 2.019 0.861 1.115 1.00 0.00 C HETATM 7 O4 UNL 1 1.042 0.363 2.008 1.00 0.00 O HETATM 8 C4 UNL 1 0.779 -1.020 1.920 1.00 0.00 C HETATM 9 C5 UNL 1 1.509 -1.934 2.651 1.00 0.00 C HETATM 10 O5 UNL 1 2.524 -1.527 3.504 1.00 0.00 O HETATM 11 C6 UNL 1 1.214 -3.294 2.525 1.00 0.00 C HETATM 12 C7 UNL 1 0.207 -3.680 1.681 1.00 0.00 C HETATM 13 O6 UNL 1 -0.146 -5.017 1.502 1.00 0.00 O HETATM 14 C8 UNL 1 -0.527 -2.739 0.946 1.00 0.00 C HETATM 15 C9 UNL 1 -1.533 -3.106 0.106 1.00 0.00 C HETATM 16 O7 UNL 1 -1.812 -4.306 -0.022 1.00 0.00 O HETATM 17 C10 UNL 1 -2.218 -2.091 -0.587 1.00 0.00 C HETATM 18 O8 UNL 1 -3.232 -2.541 -1.419 1.00 0.00 O HETATM 19 S1 UNL 1 -4.831 -2.744 -0.849 1.00 0.00 S HETATM 20 O9 UNL 1 -5.023 -4.233 -0.659 1.00 0.00 O HETATM 21 O10 UNL 1 -5.805 -2.297 -1.898 1.00 0.00 O HETATM 22 O11 UNL 1 -5.080 -1.918 0.586 1.00 0.00 O HETATM 23 C11 UNL 1 -1.914 -0.778 -0.451 1.00 0.00 C HETATM 24 C12 UNL 1 -2.600 0.290 -1.147 1.00 0.00 C HETATM 25 C13 UNL 1 -2.400 1.612 -0.721 1.00 0.00 C HETATM 26 C14 UNL 1 -2.956 2.703 -1.327 1.00 0.00 C HETATM 27 C15 UNL 1 -3.760 2.530 -2.413 1.00 0.00 C HETATM 28 O12 UNL 1 -4.361 3.598 -3.080 1.00 0.00 O HETATM 29 C16 UNL 1 -3.994 1.261 -2.878 1.00 0.00 C HETATM 30 O13 UNL 1 -4.815 1.036 -3.994 1.00 0.00 O HETATM 31 C17 UNL 1 -3.408 0.155 -2.236 1.00 0.00 C HETATM 32 O14 UNL 1 -0.915 -0.487 0.391 1.00 0.00 O HETATM 33 C18 UNL 1 -0.249 -1.389 1.058 1.00 0.00 C HETATM 34 C19 UNL 1 1.516 1.909 0.163 1.00 0.00 C HETATM 35 O15 UNL 1 1.501 3.136 0.840 1.00 0.00 O HETATM 36 C20 UNL 1 2.591 2.049 -0.923 1.00 0.00 C HETATM 37 O16 UNL 1 2.196 1.173 -1.958 1.00 0.00 O HETATM 38 C21 UNL 1 3.930 1.561 -0.446 1.00 0.00 C HETATM 39 O17 UNL 1 4.918 2.324 -1.109 1.00 0.00 O HETATM 40 H1 UNL 1 5.374 0.114 3.422 1.00 0.00 H HETATM 41 H2 UNL 1 4.511 2.772 1.266 1.00 0.00 H HETATM 42 H3 UNL 1 2.474 0.061 0.476 1.00 0.00 H HETATM 43 H4 UNL 1 2.726 -0.548 3.603 1.00 0.00 H HETATM 44 H5 UNL 1 1.771 -4.017 3.084 1.00 0.00 H HETATM 45 H6 UNL 1 0.372 -5.705 2.022 1.00 0.00 H HETATM 46 H7 UNL 1 -4.278 -1.351 0.743 1.00 0.00 H HETATM 47 H8 UNL 1 -1.773 1.742 0.143 1.00 0.00 H HETATM 48 H9 UNL 1 -2.785 3.725 -0.976 1.00 0.00 H HETATM 49 H10 UNL 1 -4.207 4.541 -2.763 1.00 0.00 H HETATM 50 H11 UNL 1 -5.237 1.829 -4.457 1.00 0.00 H HETATM 51 H12 UNL 1 -3.609 -0.805 -2.658 1.00 0.00 H HETATM 52 H13 UNL 1 0.538 1.721 -0.267 1.00 0.00 H HETATM 53 H14 UNL 1 1.547 3.902 0.189 1.00 0.00 H HETATM 54 H15 UNL 1 2.591 3.060 -1.344 1.00 0.00 H HETATM 55 H16 UNL 1 2.375 0.220 -1.698 1.00 0.00 H HETATM 56 H17 UNL 1 4.114 0.508 -0.749 1.00 0.00 H HETATM 57 H18 UNL 1 5.075 1.902 -2.002 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 40 CONECT 4 5 38 41 CONECT 5 6 CONECT 6 7 34 42 CONECT 7 8 CONECT 8 9 9 33 CONECT 9 10 11 CONECT 10 43 CONECT 11 12 12 44 CONECT 12 13 14 CONECT 13 45 CONECT 14 15 33 33 CONECT 15 16 16 17 CONECT 17 18 23 23 CONECT 18 19 CONECT 19 20 20 21 21 CONECT 19 22 CONECT 22 46 CONECT 23 24 32 CONECT 24 25 25 31 CONECT 25 26 47 CONECT 26 27 27 48 CONECT 27 28 29 CONECT 28 49 CONECT 29 30 31 31 CONECT 30 50 CONECT 31 51 CONECT 32 33 CONECT 34 35 36 52 CONECT 35 53 CONECT 36 37 38 54 CONECT 37 55 CONECT 38 39 56 CONECT 39 57 END