COMPND HMDB0062779 HETATM 1 C1 UNL 1 1.909 0.161 1.238 1.00 0.00 C HETATM 2 C2 UNL 1 1.263 -0.405 0.036 1.00 0.00 C HETATM 3 C3 UNL 1 0.801 0.540 -1.004 1.00 0.00 C HETATM 4 C4 UNL 1 -0.487 1.249 -0.659 1.00 0.00 C HETATM 5 O1 UNL 1 -0.231 1.956 0.517 1.00 0.00 O HETATM 6 C5 UNL 1 -1.575 0.204 -0.355 1.00 0.00 C HETATM 7 C6 UNL 1 -1.027 -0.506 0.862 1.00 0.00 C HETATM 8 C7 UNL 1 -2.065 -1.224 1.684 1.00 0.00 C HETATM 9 C8 UNL 1 -2.993 -0.096 2.169 1.00 0.00 C HETATM 10 C9 UNL 1 -3.688 0.402 0.939 1.00 0.00 C HETATM 11 C10 UNL 1 -4.997 0.535 0.929 1.00 0.00 C HETATM 12 C11 UNL 1 -5.748 1.011 -0.224 1.00 0.00 C HETATM 13 O2 UNL 1 -6.892 1.493 -0.116 1.00 0.00 O HETATM 14 C12 UNL 1 -5.101 0.904 -1.552 1.00 0.00 C HETATM 15 C13 UNL 1 -3.765 0.199 -1.452 1.00 0.00 C HETATM 16 C14 UNL 1 -2.928 0.748 -0.281 1.00 0.00 C HETATM 17 C15 UNL 1 -2.944 2.264 -0.522 1.00 0.00 C HETATM 18 C16 UNL 1 0.081 -1.328 0.395 1.00 0.00 C HETATM 19 C17 UNL 1 0.745 -2.288 1.304 1.00 0.00 C HETATM 20 C18 UNL 1 2.111 -2.485 0.616 1.00 0.00 C HETATM 21 C19 UNL 1 2.149 -1.515 -0.511 1.00 0.00 C HETATM 22 O3 UNL 1 1.425 -2.141 -1.571 1.00 0.00 O HETATM 23 C20 UNL 1 3.434 -1.062 -0.991 1.00 0.00 C HETATM 24 O4 UNL 1 3.645 -1.280 -2.214 1.00 0.00 O HETATM 25 C21 UNL 1 4.532 -0.396 -0.299 1.00 0.00 C HETATM 26 O5 UNL 1 5.602 -0.215 -1.215 1.00 0.00 O HETATM 27 S1 UNL 1 6.897 0.540 -0.503 1.00 0.00 S HETATM 28 O6 UNL 1 8.181 -0.220 -0.720 1.00 0.00 O HETATM 29 O7 UNL 1 6.703 0.820 0.949 1.00 0.00 O HETATM 30 O8 UNL 1 7.098 2.038 -1.279 1.00 0.00 O HETATM 31 H1 UNL 1 2.242 1.210 0.979 1.00 0.00 H HETATM 32 H2 UNL 1 2.811 -0.396 1.503 1.00 0.00 H HETATM 33 H3 UNL 1 1.244 0.323 2.118 1.00 0.00 H HETATM 34 H4 UNL 1 0.719 0.038 -1.986 1.00 0.00 H HETATM 35 H5 UNL 1 1.578 1.339 -1.125 1.00 0.00 H HETATM 36 H6 UNL 1 -0.745 1.924 -1.465 1.00 0.00 H HETATM 37 H7 UNL 1 0.169 2.836 0.362 1.00 0.00 H HETATM 38 H8 UNL 1 -1.484 -0.506 -1.234 1.00 0.00 H HETATM 39 H9 UNL 1 -0.654 0.302 1.543 1.00 0.00 H HETATM 40 H10 UNL 1 -1.572 -1.609 2.576 1.00 0.00 H HETATM 41 H11 UNL 1 -2.604 -2.002 1.152 1.00 0.00 H HETATM 42 H12 UNL 1 -3.673 -0.409 2.946 1.00 0.00 H HETATM 43 H13 UNL 1 -2.322 0.703 2.541 1.00 0.00 H HETATM 44 H14 UNL 1 -5.551 0.272 1.843 1.00 0.00 H HETATM 45 H15 UNL 1 -5.749 0.261 -2.186 1.00 0.00 H HETATM 46 H16 UNL 1 -4.954 1.857 -2.059 1.00 0.00 H HETATM 47 H17 UNL 1 -3.915 -0.881 -1.370 1.00 0.00 H HETATM 48 H18 UNL 1 -3.179 0.405 -2.362 1.00 0.00 H HETATM 49 H19 UNL 1 -3.980 2.677 -0.422 1.00 0.00 H HETATM 50 H20 UNL 1 -2.703 2.416 -1.600 1.00 0.00 H HETATM 51 H21 UNL 1 -2.339 2.827 0.180 1.00 0.00 H HETATM 52 H22 UNL 1 -0.172 -1.855 -0.552 1.00 0.00 H HETATM 53 H23 UNL 1 0.856 -1.966 2.340 1.00 0.00 H HETATM 54 H24 UNL 1 0.176 -3.241 1.297 1.00 0.00 H HETATM 55 H25 UNL 1 2.154 -3.555 0.254 1.00 0.00 H HETATM 56 H26 UNL 1 2.863 -2.399 1.387 1.00 0.00 H HETATM 57 H27 UNL 1 1.855 -1.957 -2.432 1.00 0.00 H HETATM 58 H28 UNL 1 4.897 -1.003 0.556 1.00 0.00 H HETATM 59 H29 UNL 1 4.337 0.635 0.058 1.00 0.00 H HETATM 60 H30 UNL 1 7.563 1.844 -2.116 1.00 0.00 H CONECT 1 2 31 32 33 CONECT 2 3 18 21 CONECT 3 4 34 35 CONECT 4 5 6 36 CONECT 5 37 CONECT 6 7 16 38 CONECT 7 8 18 39 CONECT 8 9 40 41 CONECT 9 10 42 43 CONECT 10 11 11 16 CONECT 11 12 44 CONECT 12 13 13 14 CONECT 14 15 45 46 CONECT 15 16 47 48 CONECT 16 17 CONECT 17 49 50 51 CONECT 18 19 52 CONECT 19 20 53 54 CONECT 20 21 55 56 CONECT 21 22 23 CONECT 22 57 CONECT 23 24 24 25 CONECT 25 26 58 59 CONECT 26 27 CONECT 27 28 28 29 29 CONECT 27 30 CONECT 30 60 END