COMPND HMDB0038386 HETATM 1 O1 UNL 1 -6.210 -2.488 1.033 1.00 0.00 O HETATM 2 C1 UNL 1 -5.130 -1.951 0.674 1.00 0.00 C HETATM 3 O2 UNL 1 -4.092 -2.666 0.242 1.00 0.00 O HETATM 4 C2 UNL 1 -2.964 -2.168 -0.138 1.00 0.00 C HETATM 5 C3 UNL 1 -1.924 -2.996 -0.579 1.00 0.00 C HETATM 6 O3 UNL 1 -2.078 -4.375 -0.621 1.00 0.00 O HETATM 7 C4 UNL 1 -0.748 -2.387 -0.969 1.00 0.00 C HETATM 8 O4 UNL 1 0.320 -3.165 -1.417 1.00 0.00 O HETATM 9 C5 UNL 1 -0.567 -1.004 -0.937 1.00 0.00 C HETATM 10 C6 UNL 1 0.694 -0.426 -1.359 1.00 0.00 C HETATM 11 C7 UNL 1 0.862 -0.080 -2.678 1.00 0.00 C HETATM 12 O5 UNL 1 -0.140 -0.267 -3.619 1.00 0.00 O HETATM 13 C8 UNL 1 2.070 0.480 -3.112 1.00 0.00 C HETATM 14 O6 UNL 1 2.181 0.813 -4.467 1.00 0.00 O HETATM 15 C9 UNL 1 3.110 0.696 -2.234 1.00 0.00 C HETATM 16 O7 UNL 1 4.246 1.225 -2.652 1.00 0.00 O HETATM 17 C10 UNL 1 5.202 1.407 -1.775 1.00 0.00 C HETATM 18 O8 UNL 1 6.305 1.914 -2.149 1.00 0.00 O HETATM 19 C11 UNL 1 5.102 1.083 -0.439 1.00 0.00 C HETATM 20 C12 UNL 1 6.099 1.271 0.490 1.00 0.00 C HETATM 21 C13 UNL 1 5.960 0.932 1.826 1.00 0.00 C HETATM 22 O9 UNL 1 6.991 1.135 2.740 1.00 0.00 O HETATM 23 C14 UNL 1 4.772 0.378 2.265 1.00 0.00 C HETATM 24 O10 UNL 1 4.612 0.032 3.598 1.00 0.00 O HETATM 25 C15 UNL 1 3.745 0.174 1.359 1.00 0.00 C HETATM 26 O11 UNL 1 2.580 -0.355 1.725 1.00 0.00 O HETATM 27 C16 UNL 1 1.605 -0.548 0.861 1.00 0.00 C HETATM 28 O12 UNL 1 0.522 -1.062 1.306 1.00 0.00 O HETATM 29 C17 UNL 1 1.726 -0.216 -0.474 1.00 0.00 C HETATM 30 C18 UNL 1 2.932 0.345 -0.913 1.00 0.00 C HETATM 31 C19 UNL 1 3.915 0.523 0.036 1.00 0.00 C HETATM 32 C20 UNL 1 -1.618 -0.215 -0.494 1.00 0.00 C HETATM 33 C21 UNL 1 -1.539 1.144 -0.426 1.00 0.00 C HETATM 34 O13 UNL 1 -0.464 1.692 -0.783 1.00 0.00 O HETATM 35 O14 UNL 1 -2.552 1.850 -0.003 1.00 0.00 O HETATM 36 C22 UNL 1 -3.708 1.363 0.387 1.00 0.00 C HETATM 37 C23 UNL 1 -4.758 2.132 0.828 1.00 0.00 C HETATM 38 O15 UNL 1 -4.618 3.503 0.874 1.00 0.00 O HETATM 39 C24 UNL 1 -5.954 1.579 1.229 1.00 0.00 C HETATM 40 O16 UNL 1 -7.006 2.402 1.674 1.00 0.00 O HETATM 41 C25 UNL 1 -6.089 0.207 1.181 1.00 0.00 C HETATM 42 C26 UNL 1 -5.044 -0.577 0.740 1.00 0.00 C HETATM 43 C27 UNL 1 -3.849 -0.017 0.341 1.00 0.00 C HETATM 44 C28 UNL 1 -2.801 -0.799 -0.101 1.00 0.00 C HETATM 45 H1 UNL 1 -2.961 -4.758 -0.323 1.00 0.00 H HETATM 46 H2 UNL 1 0.244 -4.172 -1.461 1.00 0.00 H HETATM 47 H3 UNL 1 -1.035 -0.657 -3.410 1.00 0.00 H HETATM 48 H4 UNL 1 3.053 1.219 -4.791 1.00 0.00 H HETATM 49 H5 UNL 1 7.030 1.704 0.148 1.00 0.00 H HETATM 50 H6 UNL 1 6.860 0.878 3.708 1.00 0.00 H HETATM 51 H7 UNL 1 3.751 -0.371 3.921 1.00 0.00 H HETATM 52 H8 UNL 1 -3.746 3.917 0.583 1.00 0.00 H HETATM 53 H9 UNL 1 -7.860 1.944 1.956 1.00 0.00 H HETATM 54 H10 UNL 1 -7.035 -0.221 1.498 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 42 CONECT 3 4 CONECT 4 5 5 44 CONECT 5 6 7 CONECT 6 45 CONECT 7 8 9 9 CONECT 8 46 CONECT 9 10 32 CONECT 10 11 11 29 CONECT 11 12 13 CONECT 12 47 CONECT 13 14 15 15 CONECT 14 48 CONECT 15 16 30 CONECT 16 17 CONECT 17 18 18 19 CONECT 19 20 31 31 CONECT 20 21 21 49 CONECT 21 22 23 CONECT 22 50 CONECT 23 24 25 25 CONECT 24 51 CONECT 25 26 31 CONECT 26 27 CONECT 27 28 28 29 CONECT 29 30 30 CONECT 30 31 CONECT 32 33 44 44 CONECT 33 34 34 35 CONECT 35 36 CONECT 36 37 43 43 CONECT 37 38 39 39 CONECT 38 52 CONECT 39 40 41 CONECT 40 53 CONECT 41 42 42 54 CONECT 42 43 CONECT 43 44 END