COMPND HMDB0030665 HETATM 1 O1 UNL 1 -4.375 -0.230 1.487 1.00 0.00 O HETATM 2 C1 UNL 1 -4.140 0.502 0.494 1.00 0.00 C HETATM 3 O2 UNL 1 -3.458 -0.050 -0.559 1.00 0.00 O HETATM 4 C2 UNL 1 -3.013 -1.378 -0.586 1.00 0.00 C HETATM 5 C3 UNL 1 -3.831 -2.368 -1.086 1.00 0.00 C HETATM 6 C4 UNL 1 -3.477 -3.698 -1.151 1.00 0.00 C HETATM 7 O3 UNL 1 -4.345 -4.671 -1.669 1.00 0.00 O HETATM 8 C5 UNL 1 -2.213 -4.032 -0.678 1.00 0.00 C HETATM 9 C6 UNL 1 -1.362 -3.062 -0.167 1.00 0.00 C HETATM 10 C7 UNL 1 -1.775 -1.747 -0.129 1.00 0.00 C HETATM 11 C8 UNL 1 -0.845 -0.739 0.420 1.00 0.00 C HETATM 12 C9 UNL 1 0.581 -1.257 0.032 1.00 0.00 C HETATM 13 O4 UNL 1 1.482 -0.215 0.060 1.00 0.00 O HETATM 14 C10 UNL 1 2.010 0.358 -1.097 1.00 0.00 C HETATM 15 O5 UNL 1 1.628 -0.120 -2.190 1.00 0.00 O HETATM 16 C11 UNL 1 2.956 1.450 -1.096 1.00 0.00 C HETATM 17 C12 UNL 1 3.452 1.987 -2.260 1.00 0.00 C HETATM 18 C13 UNL 1 4.356 3.030 -2.266 1.00 0.00 C HETATM 19 O6 UNL 1 4.835 3.546 -3.483 1.00 0.00 O HETATM 20 C14 UNL 1 4.787 3.564 -1.080 1.00 0.00 C HETATM 21 O7 UNL 1 5.691 4.609 -1.059 1.00 0.00 O HETATM 22 C15 UNL 1 4.309 3.049 0.109 1.00 0.00 C HETATM 23 O8 UNL 1 4.740 3.585 1.334 1.00 0.00 O HETATM 24 C16 UNL 1 3.409 2.009 0.081 1.00 0.00 C HETATM 25 C17 UNL 1 0.791 -2.450 0.866 1.00 0.00 C HETATM 26 C18 UNL 1 2.103 -3.079 0.908 1.00 0.00 C HETATM 27 C19 UNL 1 2.188 -4.463 1.148 1.00 0.00 C HETATM 28 C20 UNL 1 3.362 -5.145 1.227 1.00 0.00 C HETATM 29 C21 UNL 1 4.559 -4.481 1.067 1.00 0.00 C HETATM 30 O9 UNL 1 5.776 -5.173 1.146 1.00 0.00 O HETATM 31 C22 UNL 1 4.528 -3.126 0.831 1.00 0.00 C HETATM 32 O10 UNL 1 5.725 -2.403 0.661 1.00 0.00 O HETATM 33 C23 UNL 1 3.306 -2.447 0.755 1.00 0.00 C HETATM 34 O11 UNL 1 -0.104 -3.460 0.294 1.00 0.00 O HETATM 35 C24 UNL 1 -4.607 1.887 0.528 1.00 0.00 C HETATM 36 C25 UNL 1 -4.395 2.764 -0.515 1.00 0.00 C HETATM 37 C26 UNL 1 -4.838 4.073 -0.480 1.00 0.00 C HETATM 38 O12 UNL 1 -4.624 4.958 -1.531 1.00 0.00 O HETATM 39 C27 UNL 1 -5.519 4.556 0.618 1.00 0.00 C HETATM 40 O13 UNL 1 -5.972 5.884 0.660 1.00 0.00 O HETATM 41 C28 UNL 1 -5.740 3.693 1.668 1.00 0.00 C HETATM 42 O14 UNL 1 -6.422 4.164 2.776 1.00 0.00 O HETATM 43 C29 UNL 1 -5.290 2.385 1.618 1.00 0.00 C HETATM 44 H1 UNL 1 -4.807 -2.089 -1.448 1.00 0.00 H HETATM 45 H2 UNL 1 -4.961 -5.106 -1.005 1.00 0.00 H HETATM 46 H3 UNL 1 -1.902 -5.075 -0.715 1.00 0.00 H HETATM 47 H4 UNL 1 -0.992 0.271 0.036 1.00 0.00 H HETATM 48 H5 UNL 1 -0.866 -0.818 1.519 1.00 0.00 H HETATM 49 H6 UNL 1 0.438 -1.549 -1.054 1.00 0.00 H HETATM 50 H7 UNL 1 3.149 1.606 -3.234 1.00 0.00 H HETATM 51 H8 UNL 1 5.493 4.305 -3.471 1.00 0.00 H HETATM 52 H9 UNL 1 6.008 5.002 -0.181 1.00 0.00 H HETATM 53 H10 UNL 1 4.380 3.196 2.185 1.00 0.00 H HETATM 54 H11 UNL 1 3.040 1.612 1.001 1.00 0.00 H HETATM 55 H12 UNL 1 0.380 -2.296 1.910 1.00 0.00 H HETATM 56 H13 UNL 1 1.259 -5.003 1.276 1.00 0.00 H HETATM 57 H14 UNL 1 3.409 -6.215 1.413 1.00 0.00 H HETATM 58 H15 UNL 1 5.748 -6.164 1.320 1.00 0.00 H HETATM 59 H16 UNL 1 6.619 -2.872 0.712 1.00 0.00 H HETATM 60 H17 UNL 1 3.388 -1.386 0.580 1.00 0.00 H HETATM 61 H18 UNL 1 -3.861 2.386 -1.375 1.00 0.00 H HETATM 62 H19 UNL 1 -4.119 4.597 -2.344 1.00 0.00 H HETATM 63 H20 UNL 1 -5.808 6.514 -0.113 1.00 0.00 H HETATM 64 H21 UNL 1 -6.753 5.112 2.824 1.00 0.00 H HETATM 65 H22 UNL 1 -5.471 1.713 2.455 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 35 CONECT 3 4 CONECT 4 5 5 10 CONECT 5 6 44 CONECT 6 7 8 8 CONECT 7 45 CONECT 8 9 46 CONECT 9 10 10 34 CONECT 10 11 CONECT 11 12 47 48 CONECT 12 13 25 49 CONECT 13 14 CONECT 14 15 15 16 CONECT 16 17 17 24 CONECT 17 18 50 CONECT 18 19 20 20 CONECT 19 51 CONECT 20 21 22 CONECT 21 52 CONECT 22 23 24 24 CONECT 23 53 CONECT 24 54 CONECT 25 26 34 55 CONECT 26 27 27 33 CONECT 27 28 56 CONECT 28 29 29 57 CONECT 29 30 31 CONECT 30 58 CONECT 31 32 33 33 CONECT 32 59 CONECT 33 60 CONECT 35 36 36 43 CONECT 36 37 61 CONECT 37 38 39 39 CONECT 38 62 CONECT 39 40 41 CONECT 40 63 CONECT 41 42 43 43 CONECT 42 64 CONECT 43 65 END