COMPND HMDB0032900 HETATM 1 O1 UNL 1 1.225 4.333 -1.707 1.00 0.00 O HETATM 2 C1 UNL 1 1.946 3.305 -1.121 1.00 0.00 C HETATM 3 C2 UNL 1 3.313 3.303 -1.303 1.00 0.00 C HETATM 4 C3 UNL 1 4.082 2.311 -0.746 1.00 0.00 C HETATM 5 O2 UNL 1 5.451 2.305 -0.922 1.00 0.00 O HETATM 6 C4 UNL 1 3.458 1.312 0.001 1.00 0.00 C HETATM 7 C5 UNL 1 2.113 1.296 0.192 1.00 0.00 C HETATM 8 C6 UNL 1 1.346 2.301 -0.373 1.00 0.00 C HETATM 9 O3 UNL 1 1.528 0.284 0.943 1.00 0.00 O HETATM 10 C7 UNL 1 2.176 -1.005 1.041 1.00 0.00 C HETATM 11 C8 UNL 1 1.875 -1.813 -0.148 1.00 0.00 C HETATM 12 C9 UNL 1 2.744 -1.941 -1.197 1.00 0.00 C HETATM 13 C10 UNL 1 2.338 -2.720 -2.301 1.00 0.00 C HETATM 14 O4 UNL 1 3.240 -2.830 -3.346 1.00 0.00 O HETATM 15 C11 UNL 1 1.111 -3.342 -2.345 1.00 0.00 C HETATM 16 O5 UNL 1 0.712 -4.101 -3.416 1.00 0.00 O HETATM 17 C12 UNL 1 0.265 -3.188 -1.268 1.00 0.00 C HETATM 18 C13 UNL 1 0.622 -2.433 -0.163 1.00 0.00 C HETATM 19 C14 UNL 1 -0.239 -2.275 0.979 1.00 0.00 C HETATM 20 C15 UNL 1 -0.143 -3.145 2.076 1.00 0.00 C HETATM 21 O6 UNL 1 0.835 -4.118 2.044 1.00 0.00 O HETATM 22 C16 UNL 1 -0.982 -3.055 3.165 1.00 0.00 C HETATM 23 C17 UNL 1 -1.972 -2.071 3.197 1.00 0.00 C HETATM 24 O7 UNL 1 -2.826 -1.982 4.308 1.00 0.00 O HETATM 25 C18 UNL 1 -2.076 -1.224 2.142 1.00 0.00 C HETATM 26 C19 UNL 1 -1.208 -1.324 1.029 1.00 0.00 C HETATM 27 O8 UNL 1 -1.487 -0.364 0.064 1.00 0.00 O HETATM 28 C20 UNL 1 -2.803 -0.098 -0.364 1.00 0.00 C HETATM 29 C21 UNL 1 -2.993 1.278 -0.886 1.00 0.00 C HETATM 30 C22 UNL 1 -3.694 1.418 -2.074 1.00 0.00 C HETATM 31 C23 UNL 1 -3.926 2.657 -2.634 1.00 0.00 C HETATM 32 C24 UNL 1 -3.453 3.792 -2.006 1.00 0.00 C HETATM 33 O9 UNL 1 -3.652 5.065 -2.516 1.00 0.00 O HETATM 34 C25 UNL 1 -2.750 3.652 -0.814 1.00 0.00 C HETATM 35 O10 UNL 1 -2.259 4.764 -0.151 1.00 0.00 O HETATM 36 C26 UNL 1 -2.525 2.392 -0.263 1.00 0.00 C HETATM 37 C27 UNL 1 -3.786 -0.343 0.742 1.00 0.00 C HETATM 38 O11 UNL 1 -4.917 0.466 0.625 1.00 0.00 O HETATM 39 C28 UNL 1 -3.133 -0.178 2.105 1.00 0.00 C HETATM 40 C29 UNL 1 3.647 -0.821 1.227 1.00 0.00 C HETATM 41 O12 UNL 1 4.351 -2.007 0.866 1.00 0.00 O HETATM 42 C30 UNL 1 4.338 0.293 0.568 1.00 0.00 C HETATM 43 H1 UNL 1 1.088 5.179 -1.140 1.00 0.00 H HETATM 44 H2 UNL 1 3.817 4.086 -1.889 1.00 0.00 H HETATM 45 H3 UNL 1 6.098 1.652 -0.565 1.00 0.00 H HETATM 46 H4 UNL 1 0.301 2.286 -0.222 1.00 0.00 H HETATM 47 H5 UNL 1 1.703 -1.446 1.967 1.00 0.00 H HETATM 48 H6 UNL 1 3.714 -1.469 -1.226 1.00 0.00 H HETATM 49 H7 UNL 1 2.966 -3.387 -4.145 1.00 0.00 H HETATM 50 H8 UNL 1 -0.184 -4.554 -3.442 1.00 0.00 H HETATM 51 H9 UNL 1 -0.716 -3.662 -1.257 1.00 0.00 H HETATM 52 H10 UNL 1 0.916 -4.748 2.828 1.00 0.00 H HETATM 53 H11 UNL 1 -0.914 -3.723 4.018 1.00 0.00 H HETATM 54 H12 UNL 1 -2.727 -2.628 5.082 1.00 0.00 H HETATM 55 H13 UNL 1 -3.072 -0.838 -1.185 1.00 0.00 H HETATM 56 H14 UNL 1 -4.072 0.538 -2.581 1.00 0.00 H HETATM 57 H15 UNL 1 -4.484 2.742 -3.580 1.00 0.00 H HETATM 58 H16 UNL 1 -4.161 5.195 -3.382 1.00 0.00 H HETATM 59 H17 UNL 1 -2.418 5.674 -0.547 1.00 0.00 H HETATM 60 H18 UNL 1 -1.972 2.308 0.660 1.00 0.00 H HETATM 61 H19 UNL 1 -4.131 -1.406 0.702 1.00 0.00 H HETATM 62 H20 UNL 1 -5.713 -0.105 0.554 1.00 0.00 H HETATM 63 H21 UNL 1 -2.775 0.826 2.314 1.00 0.00 H HETATM 64 H22 UNL 1 -3.955 -0.448 2.831 1.00 0.00 H HETATM 65 H23 UNL 1 3.849 -0.684 2.360 1.00 0.00 H HETATM 66 H24 UNL 1 4.822 -2.318 1.648 1.00 0.00 H HETATM 67 H25 UNL 1 4.993 0.813 1.363 1.00 0.00 H HETATM 68 H26 UNL 1 5.135 -0.034 -0.160 1.00 0.00 H CONECT 1 2 43 CONECT 2 3 3 8 CONECT 3 4 44 CONECT 4 5 6 6 CONECT 5 45 CONECT 6 7 42 CONECT 7 8 8 9 CONECT 8 46 CONECT 9 10 CONECT 10 11 40 47 CONECT 11 12 12 18 CONECT 12 13 48 CONECT 13 14 15 15 CONECT 14 49 CONECT 15 16 17 CONECT 16 50 CONECT 17 18 18 51 CONECT 18 19 CONECT 19 20 20 26 CONECT 20 21 22 CONECT 21 52 CONECT 22 23 23 53 CONECT 23 24 25 CONECT 24 54 CONECT 25 26 26 39 CONECT 26 27 CONECT 27 28 CONECT 28 29 37 55 CONECT 29 30 30 36 CONECT 30 31 56 CONECT 31 32 32 57 CONECT 32 33 34 CONECT 33 58 CONECT 34 35 36 36 CONECT 35 59 CONECT 36 60 CONECT 37 38 39 61 CONECT 38 62 CONECT 39 63 64 CONECT 40 41 42 65 CONECT 41 66 CONECT 42 67 68 END