COMPND HMDB0014544 HETATM 1 C1 UNL 1 -1.384 -3.177 0.424 1.00 0.00 C HETATM 2 O1 UNL 1 -1.240 -1.858 0.923 1.00 0.00 O HETATM 3 C2 UNL 1 -2.124 -0.901 0.447 1.00 0.00 C HETATM 4 C3 UNL 1 -3.370 -0.969 0.888 1.00 0.00 C HETATM 5 C4 UNL 1 -4.336 0.010 0.419 1.00 0.00 C HETATM 6 O2 UNL 1 -5.578 -0.138 0.460 1.00 0.00 O HETATM 7 C5 UNL 1 -3.800 1.271 -0.146 1.00 0.00 C HETATM 8 C6 UNL 1 -2.744 0.890 -1.161 1.00 0.00 C HETATM 9 C7 UNL 1 -2.243 2.174 -1.778 1.00 0.00 C HETATM 10 C8 UNL 1 -1.649 0.113 -0.498 1.00 0.00 C HETATM 11 O3 UNL 1 -0.812 -0.545 -1.431 1.00 0.00 O HETATM 12 C9 UNL 1 0.477 -0.453 -0.947 1.00 0.00 C HETATM 13 C10 UNL 1 1.652 -1.154 -1.253 1.00 0.00 C HETATM 14 CL1 UNL 1 1.597 -2.414 -2.470 1.00 0.00 CL HETATM 15 C11 UNL 1 2.855 -0.894 -0.636 1.00 0.00 C HETATM 16 O4 UNL 1 4.004 -1.631 -0.984 1.00 0.00 O HETATM 17 C12 UNL 1 5.219 -1.338 -0.332 1.00 0.00 C HETATM 18 C13 UNL 1 2.917 0.094 0.325 1.00 0.00 C HETATM 19 C14 UNL 1 1.784 0.805 0.653 1.00 0.00 C HETATM 20 O5 UNL 1 1.782 1.809 1.609 1.00 0.00 O HETATM 21 C15 UNL 1 3.009 2.097 2.259 1.00 0.00 C HETATM 22 C16 UNL 1 0.584 0.520 0.012 1.00 0.00 C HETATM 23 C17 UNL 1 -0.737 1.109 0.168 1.00 0.00 C HETATM 24 O6 UNL 1 -0.997 2.182 0.726 1.00 0.00 O HETATM 25 H1 UNL 1 -2.398 -3.570 0.668 1.00 0.00 H HETATM 26 H2 UNL 1 -1.297 -3.215 -0.688 1.00 0.00 H HETATM 27 H3 UNL 1 -0.599 -3.856 0.818 1.00 0.00 H HETATM 28 H4 UNL 1 -3.716 -1.725 1.589 1.00 0.00 H HETATM 29 H5 UNL 1 -3.297 1.799 0.692 1.00 0.00 H HETATM 30 H6 UNL 1 -4.601 1.892 -0.596 1.00 0.00 H HETATM 31 H7 UNL 1 -3.187 0.295 -1.993 1.00 0.00 H HETATM 32 H8 UNL 1 -2.799 2.426 -2.713 1.00 0.00 H HETATM 33 H9 UNL 1 -2.420 3.049 -1.087 1.00 0.00 H HETATM 34 H10 UNL 1 -1.143 2.153 -1.946 1.00 0.00 H HETATM 35 H11 UNL 1 5.999 -2.033 -0.717 1.00 0.00 H HETATM 36 H12 UNL 1 5.125 -1.430 0.778 1.00 0.00 H HETATM 37 H13 UNL 1 5.507 -0.277 -0.545 1.00 0.00 H HETATM 38 H14 UNL 1 3.835 0.340 0.840 1.00 0.00 H HETATM 39 H15 UNL 1 2.902 2.928 2.984 1.00 0.00 H HETATM 40 H16 UNL 1 3.439 1.185 2.724 1.00 0.00 H HETATM 41 H17 UNL 1 3.781 2.436 1.515 1.00 0.00 H CONECT 1 2 25 26 27 CONECT 2 3 CONECT 3 4 4 10 CONECT 4 5 28 CONECT 5 6 6 7 CONECT 7 8 29 30 CONECT 8 9 10 31 CONECT 9 32 33 34 CONECT 10 11 23 CONECT 11 12 CONECT 12 13 13 22 CONECT 13 14 15 CONECT 15 16 18 18 CONECT 16 17 CONECT 17 35 36 37 CONECT 18 19 38 CONECT 19 20 22 22 CONECT 20 21 CONECT 21 39 40 41 CONECT 22 23 CONECT 23 24 24 END