COMPND HMDB0240554 HETATM 1 O1 UNL 1 7.919 2.114 -1.026 1.00 0.00 O HETATM 2 S1 UNL 1 8.403 2.508 0.342 1.00 0.00 S HETATM 3 O2 UNL 1 9.860 2.162 0.461 1.00 0.00 O HETATM 4 O3 UNL 1 8.149 4.153 0.504 1.00 0.00 O HETATM 5 O4 UNL 1 7.542 1.681 1.568 1.00 0.00 O HETATM 6 C1 UNL 1 6.280 1.168 1.219 1.00 0.00 C HETATM 7 C2 UNL 1 6.170 -0.107 0.713 1.00 0.00 C HETATM 8 C3 UNL 1 4.921 -0.614 0.368 1.00 0.00 C HETATM 9 C4 UNL 1 3.773 0.120 0.514 1.00 0.00 C HETATM 10 C5 UNL 1 2.479 -0.422 0.149 1.00 0.00 C HETATM 11 C6 UNL 1 2.234 -1.606 -0.337 1.00 0.00 C HETATM 12 C7 UNL 1 0.943 -2.153 -0.703 1.00 0.00 C HETATM 13 C8 UNL 1 0.895 -3.436 -1.204 1.00 0.00 C HETATM 14 C9 UNL 1 -0.308 -4.012 -1.571 1.00 0.00 C HETATM 15 O5 UNL 1 -0.301 -5.307 -2.070 1.00 0.00 O HETATM 16 C10 UNL 1 -1.482 -3.275 -1.427 1.00 0.00 C HETATM 17 C11 UNL 1 -1.462 -1.990 -0.928 1.00 0.00 C HETATM 18 O6 UNL 1 -2.616 -1.314 -0.806 1.00 0.00 O HETATM 19 C12 UNL 1 -2.891 -0.027 -0.342 1.00 0.00 C HETATM 20 O7 UNL 1 -3.712 -0.167 0.774 1.00 0.00 O HETATM 21 C13 UNL 1 -4.561 0.908 0.964 1.00 0.00 C HETATM 22 C14 UNL 1 -5.291 0.669 2.278 1.00 0.00 C HETATM 23 O8 UNL 1 -4.416 0.574 3.347 1.00 0.00 O HETATM 24 C15 UNL 1 -5.586 1.065 -0.106 1.00 0.00 C HETATM 25 O9 UNL 1 -5.983 2.386 -0.311 1.00 0.00 O HETATM 26 C16 UNL 1 -5.036 0.540 -1.403 1.00 0.00 C HETATM 27 O10 UNL 1 -5.290 -0.827 -1.496 1.00 0.00 O HETATM 28 C17 UNL 1 -3.546 0.827 -1.410 1.00 0.00 C HETATM 29 O11 UNL 1 -3.365 2.181 -1.134 1.00 0.00 O HETATM 30 C18 UNL 1 -0.252 -1.447 -0.574 1.00 0.00 C HETATM 31 C19 UNL 1 3.908 1.390 1.020 1.00 0.00 C HETATM 32 C20 UNL 1 5.146 1.906 1.368 1.00 0.00 C HETATM 33 H1 UNL 1 7.180 4.310 0.475 1.00 0.00 H HETATM 34 H2 UNL 1 7.080 -0.681 0.601 1.00 0.00 H HETATM 35 H3 UNL 1 4.927 -1.619 -0.020 1.00 0.00 H HETATM 36 H4 UNL 1 1.608 0.232 0.297 1.00 0.00 H HETATM 37 H5 UNL 1 3.105 -2.248 -0.480 1.00 0.00 H HETATM 38 H6 UNL 1 1.814 -4.036 -1.325 1.00 0.00 H HETATM 39 H7 UNL 1 -0.402 -6.049 -1.370 1.00 0.00 H HETATM 40 H8 UNL 1 -2.393 -3.774 -1.729 1.00 0.00 H HETATM 41 H9 UNL 1 -1.949 0.462 -0.038 1.00 0.00 H HETATM 42 H10 UNL 1 -4.025 1.875 1.088 1.00 0.00 H HETATM 43 H11 UNL 1 -5.882 -0.283 2.249 1.00 0.00 H HETATM 44 H12 UNL 1 -6.029 1.473 2.494 1.00 0.00 H HETATM 45 H13 UNL 1 -4.860 0.883 4.173 1.00 0.00 H HETATM 46 H14 UNL 1 -6.526 0.517 0.195 1.00 0.00 H HETATM 47 H15 UNL 1 -6.360 2.744 0.530 1.00 0.00 H HETATM 48 H16 UNL 1 -5.512 1.097 -2.240 1.00 0.00 H HETATM 49 H17 UNL 1 -5.190 -1.169 -2.401 1.00 0.00 H HETATM 50 H18 UNL 1 -3.146 0.631 -2.410 1.00 0.00 H HETATM 51 H19 UNL 1 -4.046 2.750 -1.568 1.00 0.00 H HETATM 52 H20 UNL 1 -0.183 -0.447 -0.179 1.00 0.00 H HETATM 53 H21 UNL 1 3.020 2.003 1.151 1.00 0.00 H HETATM 54 H22 UNL 1 5.245 2.906 1.766 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 3 4 5 CONECT 4 33 CONECT 5 6 CONECT 6 7 7 32 CONECT 7 8 34 CONECT 8 9 9 35 CONECT 9 10 31 CONECT 10 11 11 36 CONECT 11 12 37 CONECT 12 13 13 30 CONECT 13 14 38 CONECT 14 15 16 16 CONECT 15 39 CONECT 16 17 40 CONECT 17 18 30 30 CONECT 18 19 CONECT 19 20 28 41 CONECT 20 21 CONECT 21 22 24 42 CONECT 22 23 43 44 CONECT 23 45 CONECT 24 25 26 46 CONECT 25 47 CONECT 26 27 28 48 CONECT 27 49 CONECT 28 29 50 CONECT 29 51 CONECT 30 52 CONECT 31 32 32 53 CONECT 32 54 END