COMPND HMDB0030207 HETATM 1 C1 UNL 1 5.914 0.716 1.689 1.00 0.00 C HETATM 2 O1 UNL 1 5.811 0.004 0.472 1.00 0.00 O HETATM 3 C2 UNL 1 4.556 -0.230 -0.074 1.00 0.00 C HETATM 4 C3 UNL 1 3.384 0.201 0.517 1.00 0.00 C HETATM 5 C4 UNL 1 2.184 -0.081 -0.102 1.00 0.00 C HETATM 6 C5 UNL 1 2.094 -0.775 -1.288 1.00 0.00 C HETATM 7 C6 UNL 1 3.266 -1.204 -1.876 1.00 0.00 C HETATM 8 C7 UNL 1 4.482 -0.926 -1.261 1.00 0.00 C HETATM 9 O2 UNL 1 5.654 -1.361 -1.857 1.00 0.00 O HETATM 10 N1 UNL 1 0.794 -0.893 -1.641 1.00 0.00 N HETATM 11 C8 UNL 1 0.053 -0.297 -0.720 1.00 0.00 C HETATM 12 C9 UNL 1 -1.303 -0.128 -0.595 1.00 0.00 C HETATM 13 C10 UNL 1 -1.811 0.548 0.488 1.00 0.00 C HETATM 14 C11 UNL 1 -0.991 1.076 1.479 1.00 0.00 C HETATM 15 C12 UNL 1 -1.585 1.808 2.649 1.00 0.00 C HETATM 16 C13 UNL 1 0.368 0.899 1.342 1.00 0.00 C HETATM 17 C14 UNL 1 0.894 0.224 0.261 1.00 0.00 C HETATM 18 O3 UNL 1 -3.185 0.703 0.587 1.00 0.00 O HETATM 19 C15 UNL 1 -4.130 0.232 -0.322 1.00 0.00 C HETATM 20 C16 UNL 1 -4.972 1.359 -0.917 1.00 0.00 C HETATM 21 C17 UNL 1 -5.091 -0.770 0.331 1.00 0.00 C HETATM 22 C18 UNL 1 -3.516 -0.491 -1.472 1.00 0.00 C HETATM 23 C19 UNL 1 -2.208 -0.654 -1.593 1.00 0.00 C HETATM 24 H1 UNL 1 5.339 0.139 2.442 1.00 0.00 H HETATM 25 H2 UNL 1 6.979 0.704 1.994 1.00 0.00 H HETATM 26 H3 UNL 1 5.558 1.744 1.568 1.00 0.00 H HETATM 27 H4 UNL 1 3.422 0.749 1.449 1.00 0.00 H HETATM 28 H5 UNL 1 3.197 -1.747 -2.803 1.00 0.00 H HETATM 29 H6 UNL 1 5.655 -1.870 -2.719 1.00 0.00 H HETATM 30 H7 UNL 1 0.403 -1.364 -2.486 1.00 0.00 H HETATM 31 H8 UNL 1 -0.761 2.417 3.091 1.00 0.00 H HETATM 32 H9 UNL 1 -2.457 2.411 2.353 1.00 0.00 H HETATM 33 H10 UNL 1 -1.837 1.044 3.436 1.00 0.00 H HETATM 34 H11 UNL 1 1.036 1.288 2.079 1.00 0.00 H HETATM 35 H12 UNL 1 -5.372 0.989 -1.870 1.00 0.00 H HETATM 36 H13 UNL 1 -5.782 1.645 -0.204 1.00 0.00 H HETATM 37 H14 UNL 1 -4.280 2.210 -1.113 1.00 0.00 H HETATM 38 H15 UNL 1 -5.788 -1.114 -0.454 1.00 0.00 H HETATM 39 H16 UNL 1 -4.477 -1.653 0.611 1.00 0.00 H HETATM 40 H17 UNL 1 -5.587 -0.350 1.213 1.00 0.00 H HETATM 41 H18 UNL 1 -4.143 -0.906 -2.250 1.00 0.00 H HETATM 42 H19 UNL 1 -1.769 -1.182 -2.435 1.00 0.00 H CONECT 1 2 24 25 26 CONECT 2 3 CONECT 3 4 4 8 CONECT 4 5 27 CONECT 5 6 6 17 CONECT 6 7 10 CONECT 7 8 8 28 CONECT 8 9 CONECT 9 29 CONECT 10 11 30 CONECT 11 12 12 17 CONECT 12 13 23 CONECT 13 14 14 18 CONECT 14 15 16 CONECT 15 31 32 33 CONECT 16 17 17 34 CONECT 18 19 CONECT 19 20 21 22 CONECT 20 35 36 37 CONECT 21 38 39 40 CONECT 22 23 23 41 CONECT 23 42 END