COMPND HMDB0033991 HETATM 1 O1 UNL 1 3.938 1.737 0.139 1.00 0.00 O HETATM 2 C1 UNL 1 3.288 0.692 -0.037 1.00 0.00 C HETATM 3 C2 UNL 1 3.971 -0.476 -0.294 1.00 0.00 C HETATM 4 C3 UNL 1 5.431 -0.540 -0.369 1.00 0.00 C HETATM 5 C4 UNL 1 6.114 -1.556 0.261 1.00 0.00 C HETATM 6 C5 UNL 1 7.477 -1.620 0.193 1.00 0.00 C HETATM 7 C6 UNL 1 8.159 -0.659 -0.512 1.00 0.00 C HETATM 8 O2 UNL 1 9.552 -0.732 -0.576 1.00 0.00 O HETATM 9 C7 UNL 1 7.475 0.349 -1.137 1.00 0.00 C HETATM 10 C8 UNL 1 6.094 0.421 -1.073 1.00 0.00 C HETATM 11 C9 UNL 1 3.204 -1.606 -0.480 1.00 0.00 C HETATM 12 O3 UNL 1 1.895 -1.564 -0.415 1.00 0.00 O HETATM 13 C10 UNL 1 1.224 -0.444 -0.168 1.00 0.00 C HETATM 14 C11 UNL 1 -0.180 -0.450 -0.108 1.00 0.00 C HETATM 15 C12 UNL 1 -0.905 0.677 0.142 1.00 0.00 C HETATM 16 O4 UNL 1 -2.250 0.730 0.211 1.00 0.00 O HETATM 17 C13 UNL 1 -3.107 -0.351 0.037 1.00 0.00 C HETATM 18 O5 UNL 1 -3.817 -0.123 -1.115 1.00 0.00 O HETATM 19 C14 UNL 1 -4.999 0.520 -1.043 1.00 0.00 C HETATM 20 C15 UNL 1 -4.927 2.001 -0.750 1.00 0.00 C HETATM 21 O6 UNL 1 -4.329 2.330 0.437 1.00 0.00 O HETATM 22 C16 UNL 1 -5.975 -0.203 -0.173 1.00 0.00 C HETATM 23 O7 UNL 1 -6.560 -1.224 -0.961 1.00 0.00 O HETATM 24 C17 UNL 1 -5.389 -0.812 1.045 1.00 0.00 C HETATM 25 O8 UNL 1 -6.072 -0.259 2.158 1.00 0.00 O HETATM 26 C18 UNL 1 -3.932 -0.638 1.251 1.00 0.00 C HETATM 27 O9 UNL 1 -3.451 -1.795 1.891 1.00 0.00 O HETATM 28 C19 UNL 1 -0.181 1.862 0.342 1.00 0.00 C HETATM 29 C20 UNL 1 1.195 1.890 0.288 1.00 0.00 C HETATM 30 C21 UNL 1 1.904 0.736 0.032 1.00 0.00 C HETATM 31 H1 UNL 1 5.564 -2.315 0.819 1.00 0.00 H HETATM 32 H2 UNL 1 7.979 -2.436 0.703 1.00 0.00 H HETATM 33 H3 UNL 1 10.140 -0.280 0.110 1.00 0.00 H HETATM 34 H4 UNL 1 8.037 1.086 -1.680 1.00 0.00 H HETATM 35 H5 UNL 1 5.556 1.210 -1.562 1.00 0.00 H HETATM 36 H6 UNL 1 3.722 -2.532 -0.683 1.00 0.00 H HETATM 37 H7 UNL 1 -0.605 -1.427 -0.280 1.00 0.00 H HETATM 38 H8 UNL 1 -2.506 -1.254 -0.165 1.00 0.00 H HETATM 39 H9 UNL 1 -5.437 0.483 -2.089 1.00 0.00 H HETATM 40 H10 UNL 1 -4.396 2.536 -1.564 1.00 0.00 H HETATM 41 H11 UNL 1 -5.978 2.404 -0.781 1.00 0.00 H HETATM 42 H12 UNL 1 -4.968 2.288 1.214 1.00 0.00 H HETATM 43 H13 UNL 1 -6.851 0.475 0.057 1.00 0.00 H HETATM 44 H14 UNL 1 -5.911 -1.507 -1.654 1.00 0.00 H HETATM 45 H15 UNL 1 -5.674 -1.906 1.103 1.00 0.00 H HETATM 46 H16 UNL 1 -6.635 0.503 1.896 1.00 0.00 H HETATM 47 H17 UNL 1 -3.754 0.171 2.022 1.00 0.00 H HETATM 48 H18 UNL 1 -4.166 -2.301 2.336 1.00 0.00 H HETATM 49 H19 UNL 1 -0.735 2.769 0.542 1.00 0.00 H HETATM 50 H20 UNL 1 1.775 2.790 0.438 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 30 CONECT 3 4 11 11 CONECT 4 5 5 10 CONECT 5 6 31 CONECT 6 7 7 32 CONECT 7 8 9 CONECT 8 33 CONECT 9 10 10 34 CONECT 10 35 CONECT 11 12 36 CONECT 12 13 CONECT 13 14 14 30 CONECT 14 15 37 CONECT 15 16 28 28 CONECT 16 17 CONECT 17 18 26 38 CONECT 18 19 CONECT 19 20 22 39 CONECT 20 21 40 41 CONECT 21 42 CONECT 22 23 24 43 CONECT 23 44 CONECT 24 25 26 45 CONECT 25 46 CONECT 26 27 47 CONECT 27 48 CONECT 28 29 49 CONECT 29 30 30 50 END