COMPND HMDB0029541 HETATM 1 O1 UNL 1 3.536 -1.292 1.099 1.00 0.00 O HETATM 2 C1 UNL 1 3.733 -0.808 -0.019 1.00 0.00 C HETATM 3 O2 UNL 1 2.652 -0.476 -0.778 1.00 0.00 O HETATM 4 C2 UNL 1 1.307 -0.573 -0.530 1.00 0.00 C HETATM 5 C3 UNL 1 0.729 0.205 0.606 1.00 0.00 C HETATM 6 O3 UNL 1 1.329 -0.209 1.789 1.00 0.00 O HETATM 7 C4 UNL 1 1.030 1.657 0.442 1.00 0.00 C HETATM 8 O4 UNL 1 2.130 2.061 1.210 1.00 0.00 O HETATM 9 C5 UNL 1 -0.077 2.568 0.714 1.00 0.00 C HETATM 10 C6 UNL 1 -1.352 2.241 0.585 1.00 0.00 C HETATM 11 C7 UNL 1 -1.655 0.871 0.139 1.00 0.00 C HETATM 12 O5 UNL 1 -2.983 0.471 0.477 1.00 0.00 O HETATM 13 C8 UNL 1 -3.907 0.117 -0.498 1.00 0.00 C HETATM 14 O6 UNL 1 -3.525 0.165 -1.680 1.00 0.00 O HETATM 15 C9 UNL 1 -5.264 -0.294 -0.183 1.00 0.00 C HETATM 16 C10 UNL 1 -6.130 -0.632 -1.200 1.00 0.00 C HETATM 17 C11 UNL 1 -7.413 -1.022 -0.920 1.00 0.00 C HETATM 18 C12 UNL 1 -7.890 -1.093 0.377 1.00 0.00 C HETATM 19 C13 UNL 1 -7.021 -0.755 1.390 1.00 0.00 C HETATM 20 C14 UNL 1 -5.721 -0.359 1.119 1.00 0.00 C HETATM 21 C15 UNL 1 -0.727 -0.129 0.740 1.00 0.00 C HETATM 22 O7 UNL 1 -0.973 -1.356 0.123 1.00 0.00 O HETATM 23 C16 UNL 1 5.129 -0.619 -0.469 1.00 0.00 C HETATM 24 C17 UNL 1 5.435 -0.086 -1.703 1.00 0.00 C HETATM 25 C18 UNL 1 6.751 0.076 -2.089 1.00 0.00 C HETATM 26 C19 UNL 1 7.805 -0.281 -1.274 1.00 0.00 C HETATM 27 C20 UNL 1 7.498 -0.814 -0.040 1.00 0.00 C HETATM 28 C21 UNL 1 6.182 -0.976 0.345 1.00 0.00 C HETATM 29 H1 UNL 1 0.920 -1.615 -0.449 1.00 0.00 H HETATM 30 H2 UNL 1 0.780 -0.178 -1.455 1.00 0.00 H HETATM 31 H3 UNL 1 0.932 -1.031 2.154 1.00 0.00 H HETATM 32 H4 UNL 1 1.349 1.839 -0.628 1.00 0.00 H HETATM 33 H5 UNL 1 1.882 2.612 1.980 1.00 0.00 H HETATM 34 H6 UNL 1 0.160 3.581 1.043 1.00 0.00 H HETATM 35 H7 UNL 1 -2.152 2.932 0.792 1.00 0.00 H HETATM 36 H8 UNL 1 -1.561 0.833 -0.965 1.00 0.00 H HETATM 37 H9 UNL 1 -5.767 -0.579 -2.217 1.00 0.00 H HETATM 38 H10 UNL 1 -8.113 -1.292 -1.698 1.00 0.00 H HETATM 39 H11 UNL 1 -8.899 -1.401 0.582 1.00 0.00 H HETATM 40 H12 UNL 1 -7.401 -0.813 2.402 1.00 0.00 H HETATM 41 H13 UNL 1 -5.095 -0.109 1.945 1.00 0.00 H HETATM 42 H14 UNL 1 -1.041 -0.266 1.812 1.00 0.00 H HETATM 43 H15 UNL 1 -1.293 -1.234 -0.811 1.00 0.00 H HETATM 44 H16 UNL 1 4.654 0.206 -2.369 1.00 0.00 H HETATM 45 H17 UNL 1 7.004 0.501 -3.071 1.00 0.00 H HETATM 46 H18 UNL 1 8.824 -0.142 -1.604 1.00 0.00 H HETATM 47 H19 UNL 1 8.293 -1.106 0.626 1.00 0.00 H HETATM 48 H20 UNL 1 5.914 -1.398 1.323 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 23 CONECT 3 4 CONECT 4 5 29 30 CONECT 5 6 7 21 CONECT 6 31 CONECT 7 8 9 32 CONECT 8 33 CONECT 9 10 10 34 CONECT 10 11 35 CONECT 11 12 21 36 CONECT 12 13 CONECT 13 14 14 15 CONECT 15 16 16 20 CONECT 16 17 37 CONECT 17 18 18 38 CONECT 18 19 39 CONECT 19 20 20 40 CONECT 20 41 CONECT 21 22 42 CONECT 22 43 CONECT 23 24 24 28 CONECT 24 25 44 CONECT 25 26 26 45 CONECT 26 27 46 CONECT 27 28 28 47 CONECT 28 48 END