COMPND HMDB0015014 HETATM 1 C1 UNL 1 -4.964 -3.736 0.404 1.00 0.00 C HETATM 2 C2 UNL 1 -4.521 -3.200 -0.938 1.00 0.00 C HETATM 3 C3 UNL 1 -3.034 -2.912 -0.907 1.00 0.00 C HETATM 4 C4 UNL 1 -2.713 -1.870 0.173 1.00 0.00 C HETATM 5 C5 UNL 1 -1.238 -1.675 0.107 1.00 0.00 C HETATM 6 N1 UNL 1 -0.362 -2.393 0.839 1.00 0.00 N HETATM 7 C6 UNL 1 0.897 -2.023 0.577 1.00 0.00 C HETATM 8 C7 UNL 1 0.843 -1.023 -0.364 1.00 0.00 C HETATM 9 C8 UNL 1 1.916 -0.271 -1.000 1.00 0.00 C HETATM 10 C9 UNL 1 2.891 0.301 -0.329 1.00 0.00 C HETATM 11 C10 UNL 1 2.991 0.239 1.140 1.00 0.00 C HETATM 12 C11 UNL 1 4.292 -0.443 1.490 1.00 0.00 C HETATM 13 C12 UNL 1 5.464 0.118 1.925 1.00 0.00 C HETATM 14 C13 UNL 1 6.496 -0.713 2.159 1.00 0.00 C HETATM 15 C14 UNL 1 6.297 -2.044 1.948 1.00 0.00 C HETATM 16 S1 UNL 1 4.677 -2.114 1.426 1.00 0.00 S HETATM 17 C15 UNL 1 3.889 1.018 -1.132 1.00 0.00 C HETATM 18 O1 UNL 1 3.830 1.085 -2.386 1.00 0.00 O HETATM 19 O2 UNL 1 4.949 1.656 -0.519 1.00 0.00 O HETATM 20 N2 UNL 1 -0.493 -0.835 -0.630 1.00 0.00 N HETATM 21 C16 UNL 1 -0.963 0.136 -1.564 1.00 0.00 C HETATM 22 C17 UNL 1 -1.291 1.461 -1.036 1.00 0.00 C HETATM 23 C18 UNL 1 -0.401 2.429 -0.681 1.00 0.00 C HETATM 24 C19 UNL 1 -0.850 3.660 -0.207 1.00 0.00 C HETATM 25 C20 UNL 1 -2.170 3.964 -0.071 1.00 0.00 C HETATM 26 C21 UNL 1 -2.686 5.236 0.426 1.00 0.00 C HETATM 27 O3 UNL 1 -3.914 5.468 0.526 1.00 0.00 O HETATM 28 O4 UNL 1 -1.809 6.253 0.813 1.00 0.00 O HETATM 29 C22 UNL 1 -3.076 2.988 -0.428 1.00 0.00 C HETATM 30 C23 UNL 1 -2.653 1.765 -0.900 1.00 0.00 C HETATM 31 H1 UNL 1 -4.117 -4.010 1.056 1.00 0.00 H HETATM 32 H2 UNL 1 -5.574 -4.674 0.264 1.00 0.00 H HETATM 33 H3 UNL 1 -5.604 -2.969 0.882 1.00 0.00 H HETATM 34 H4 UNL 1 -4.683 -3.984 -1.700 1.00 0.00 H HETATM 35 H5 UNL 1 -5.106 -2.291 -1.234 1.00 0.00 H HETATM 36 H6 UNL 1 -2.714 -2.531 -1.899 1.00 0.00 H HETATM 37 H7 UNL 1 -2.518 -3.871 -0.694 1.00 0.00 H HETATM 38 H8 UNL 1 -2.984 -2.290 1.170 1.00 0.00 H HETATM 39 H9 UNL 1 -3.287 -0.984 -0.059 1.00 0.00 H HETATM 40 H10 UNL 1 1.761 -2.473 1.039 1.00 0.00 H HETATM 41 H11 UNL 1 1.905 -0.177 -2.115 1.00 0.00 H HETATM 42 H12 UNL 1 3.105 1.277 1.579 1.00 0.00 H HETATM 43 H13 UNL 1 2.202 -0.286 1.658 1.00 0.00 H HETATM 44 H14 UNL 1 5.524 1.228 2.077 1.00 0.00 H HETATM 45 H15 UNL 1 7.486 -0.354 2.513 1.00 0.00 H HETATM 46 H16 UNL 1 7.037 -2.858 2.092 1.00 0.00 H HETATM 47 H17 UNL 1 5.920 1.455 -0.699 1.00 0.00 H HETATM 48 H18 UNL 1 -0.173 0.294 -2.361 1.00 0.00 H HETATM 49 H19 UNL 1 -1.842 -0.304 -2.090 1.00 0.00 H HETATM 50 H20 UNL 1 0.655 2.231 -0.778 1.00 0.00 H HETATM 51 H21 UNL 1 -0.119 4.404 0.065 1.00 0.00 H HETATM 52 H22 UNL 1 -1.608 6.458 1.784 1.00 0.00 H HETATM 53 H23 UNL 1 -4.164 3.155 -0.349 1.00 0.00 H HETATM 54 H24 UNL 1 -3.397 1.028 -1.183 1.00 0.00 H CONECT 1 2 31 32 33 CONECT 2 3 34 35 CONECT 3 4 36 37 CONECT 4 5 38 39 CONECT 5 6 6 20 CONECT 6 7 CONECT 7 8 8 40 CONECT 8 9 20 CONECT 9 10 10 41 CONECT 10 11 17 CONECT 11 12 42 43 CONECT 12 13 13 16 CONECT 13 14 44 CONECT 14 15 15 45 CONECT 15 16 46 CONECT 17 18 18 19 CONECT 19 47 CONECT 20 21 CONECT 21 22 48 49 CONECT 22 23 23 30 CONECT 23 24 50 CONECT 24 25 25 51 CONECT 25 26 29 CONECT 26 27 27 28 CONECT 28 52 CONECT 29 30 30 53 CONECT 30 54 END