COMPND HMDB0041768 HETATM 1 O1 UNL 1 0.379 0.533 0.075 1.00 0.00 O HETATM 2 C1 UNL 1 1.034 -0.523 -0.153 1.00 0.00 C HETATM 3 C2 UNL 1 2.524 -0.401 -0.297 1.00 0.00 C HETATM 4 C3 UNL 1 2.875 1.075 -0.160 1.00 0.00 C HETATM 5 C4 UNL 1 4.294 1.365 -0.278 1.00 0.00 C HETATM 6 C5 UNL 1 4.862 1.635 -1.503 1.00 0.00 C HETATM 7 C6 UNL 1 6.231 1.918 -1.604 1.00 0.00 C HETATM 8 C7 UNL 1 7.034 1.934 -0.495 1.00 0.00 C HETATM 9 O2 UNL 1 8.410 2.217 -0.582 1.00 0.00 O HETATM 10 C8 UNL 1 6.473 1.666 0.729 1.00 0.00 C HETATM 11 C9 UNL 1 5.108 1.384 0.826 1.00 0.00 C HETATM 12 C10 UNL 1 0.331 -1.778 -0.264 1.00 0.00 C HETATM 13 C11 UNL 1 1.014 -2.934 -0.511 1.00 0.00 C HETATM 14 O3 UNL 1 2.388 -2.906 -0.649 1.00 0.00 O HETATM 15 C12 UNL 1 0.357 -4.164 -0.632 1.00 0.00 C HETATM 16 C13 UNL 1 -0.987 -4.209 -0.500 1.00 0.00 C HETATM 17 O4 UNL 1 -1.621 -5.439 -0.624 1.00 0.00 O HETATM 18 C14 UNL 1 -1.684 -3.068 -0.254 1.00 0.00 C HETATM 19 C15 UNL 1 -1.046 -1.799 -0.124 1.00 0.00 C HETATM 20 O5 UNL 1 -1.835 -0.791 0.112 1.00 0.00 O HETATM 21 C16 UNL 1 -2.612 0.212 0.347 1.00 0.00 C HETATM 22 O6 UNL 1 -3.365 0.014 1.523 1.00 0.00 O HETATM 23 C17 UNL 1 -4.042 1.127 1.947 1.00 0.00 C HETATM 24 C18 UNL 1 -5.157 0.823 2.860 1.00 0.00 C HETATM 25 O7 UNL 1 -5.855 1.746 3.316 1.00 0.00 O HETATM 26 O8 UNL 1 -5.423 -0.480 3.208 1.00 0.00 O HETATM 27 C19 UNL 1 -4.456 2.080 0.858 1.00 0.00 C HETATM 28 O9 UNL 1 -3.531 3.077 0.671 1.00 0.00 O HETATM 29 C20 UNL 1 -4.714 1.333 -0.420 1.00 0.00 C HETATM 30 O10 UNL 1 -5.841 0.530 -0.270 1.00 0.00 O HETATM 31 C21 UNL 1 -3.573 0.460 -0.825 1.00 0.00 C HETATM 32 O11 UNL 1 -2.825 1.149 -1.776 1.00 0.00 O HETATM 33 H1 UNL 1 2.832 -0.745 -1.301 1.00 0.00 H HETATM 34 H2 UNL 1 3.063 -1.008 0.452 1.00 0.00 H HETATM 35 H3 UNL 1 2.234 1.601 -0.925 1.00 0.00 H HETATM 36 H4 UNL 1 2.434 1.399 0.821 1.00 0.00 H HETATM 37 H5 UNL 1 4.312 1.645 -2.434 1.00 0.00 H HETATM 38 H6 UNL 1 6.697 2.132 -2.551 1.00 0.00 H HETATM 39 H7 UNL 1 9.023 1.433 -0.722 1.00 0.00 H HETATM 40 H8 UNL 1 7.081 1.672 1.616 1.00 0.00 H HETATM 41 H9 UNL 1 4.740 1.184 1.822 1.00 0.00 H HETATM 42 H10 UNL 1 2.912 -3.751 -0.832 1.00 0.00 H HETATM 43 H11 UNL 1 0.944 -5.041 -0.827 1.00 0.00 H HETATM 44 H12 UNL 1 -1.949 -5.769 -1.538 1.00 0.00 H HETATM 45 H13 UNL 1 -2.757 -3.129 -0.152 1.00 0.00 H HETATM 46 H14 UNL 1 -2.122 1.221 0.520 1.00 0.00 H HETATM 47 H15 UNL 1 -3.300 1.707 2.577 1.00 0.00 H HETATM 48 H16 UNL 1 -4.812 -1.258 3.041 1.00 0.00 H HETATM 49 H17 UNL 1 -5.402 2.569 1.219 1.00 0.00 H HETATM 50 H18 UNL 1 -3.305 3.146 -0.292 1.00 0.00 H HETATM 51 H19 UNL 1 -4.938 2.064 -1.237 1.00 0.00 H HETATM 52 H20 UNL 1 -6.605 0.895 -0.741 1.00 0.00 H HETATM 53 H21 UNL 1 -3.906 -0.497 -1.231 1.00 0.00 H HETATM 54 H22 UNL 1 -1.922 0.744 -1.838 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 12 CONECT 3 4 33 34 CONECT 4 5 35 36 CONECT 5 6 6 11 CONECT 6 7 37 CONECT 7 8 8 38 CONECT 8 9 10 CONECT 9 39 CONECT 10 11 11 40 CONECT 11 41 CONECT 12 13 13 19 CONECT 13 14 15 CONECT 14 42 CONECT 15 16 16 43 CONECT 16 17 18 CONECT 17 44 CONECT 18 19 19 45 CONECT 19 20 CONECT 20 21 CONECT 21 22 31 46 CONECT 22 23 CONECT 23 24 27 47 CONECT 24 25 25 26 CONECT 26 48 CONECT 27 28 29 49 CONECT 28 50 CONECT 29 30 31 51 CONECT 30 52 CONECT 31 32 53 CONECT 32 54 END