COMPND HMDB0033543 HETATM 1 C1 UNL 1 -4.204 2.435 0.840 1.00 0.00 C HETATM 2 C2 UNL 1 -4.271 0.962 0.513 1.00 0.00 C HETATM 3 C3 UNL 1 -3.143 0.323 0.227 1.00 0.00 C HETATM 4 C4 UNL 1 -1.870 1.083 0.244 1.00 0.00 C HETATM 5 C5 UNL 1 -1.156 1.091 -1.092 1.00 0.00 C HETATM 6 C6 UNL 1 0.104 1.855 -1.035 1.00 0.00 C HETATM 7 C7 UNL 1 0.104 3.319 -0.662 1.00 0.00 C HETATM 8 C8 UNL 1 1.294 1.327 -1.301 1.00 0.00 C HETATM 9 C9 UNL 1 1.554 -0.068 -1.687 1.00 0.00 C HETATM 10 O1 UNL 1 2.385 -0.759 -0.821 1.00 0.00 O HETATM 11 C10 UNL 1 3.698 -0.554 -0.510 1.00 0.00 C HETATM 12 C11 UNL 1 4.509 0.413 -1.044 1.00 0.00 C HETATM 13 C12 UNL 1 5.828 0.553 -0.667 1.00 0.00 C HETATM 14 C13 UNL 1 6.395 -0.283 0.271 1.00 0.00 C HETATM 15 C14 UNL 1 7.721 -0.154 0.659 1.00 0.00 C HETATM 16 C15 UNL 1 8.241 -1.009 1.596 1.00 0.00 C HETATM 17 C16 UNL 1 7.389 -1.972 2.111 1.00 0.00 C HETATM 18 O2 UNL 1 7.877 -2.757 2.975 1.00 0.00 O HETATM 19 O3 UNL 1 6.150 -2.064 1.723 1.00 0.00 O HETATM 20 C17 UNL 1 5.612 -1.260 0.823 1.00 0.00 C HETATM 21 C18 UNL 1 4.306 -1.390 0.444 1.00 0.00 C HETATM 22 C19 UNL 1 -3.153 -1.152 -0.103 1.00 0.00 C HETATM 23 C20 UNL 1 -2.057 -1.881 0.647 1.00 0.00 C HETATM 24 C21 UNL 1 -3.057 -1.391 -1.593 1.00 0.00 C HETATM 25 C22 UNL 1 -4.469 -1.772 0.338 1.00 0.00 C HETATM 26 O4 UNL 1 -4.555 -1.900 1.703 1.00 0.00 O HETATM 27 C23 UNL 1 -5.646 -0.970 -0.167 1.00 0.00 C HETATM 28 C24 UNL 1 -5.616 0.347 0.544 1.00 0.00 C HETATM 29 H1 UNL 1 -5.184 2.849 1.064 1.00 0.00 H HETATM 30 H2 UNL 1 -3.830 2.935 -0.065 1.00 0.00 H HETATM 31 H3 UNL 1 -3.579 2.613 1.751 1.00 0.00 H HETATM 32 H4 UNL 1 -1.196 0.700 1.054 1.00 0.00 H HETATM 33 H5 UNL 1 -2.048 2.144 0.502 1.00 0.00 H HETATM 34 H6 UNL 1 -0.957 0.049 -1.338 1.00 0.00 H HETATM 35 H7 UNL 1 -1.798 1.490 -1.901 1.00 0.00 H HETATM 36 H8 UNL 1 -0.841 3.731 -1.034 1.00 0.00 H HETATM 37 H9 UNL 1 0.950 3.827 -1.163 1.00 0.00 H HETATM 38 H10 UNL 1 0.242 3.443 0.434 1.00 0.00 H HETATM 39 H11 UNL 1 2.180 1.991 -1.226 1.00 0.00 H HETATM 40 H12 UNL 1 2.112 0.019 -2.699 1.00 0.00 H HETATM 41 H13 UNL 1 0.659 -0.651 -1.907 1.00 0.00 H HETATM 42 H14 UNL 1 4.158 1.094 -1.797 1.00 0.00 H HETATM 43 H15 UNL 1 6.477 1.324 -1.092 1.00 0.00 H HETATM 44 H16 UNL 1 8.305 0.617 0.211 1.00 0.00 H HETATM 45 H17 UNL 1 9.270 -0.950 1.933 1.00 0.00 H HETATM 46 H18 UNL 1 3.691 -2.164 0.883 1.00 0.00 H HETATM 47 H19 UNL 1 -2.436 -2.804 1.152 1.00 0.00 H HETATM 48 H20 UNL 1 -1.619 -1.259 1.460 1.00 0.00 H HETATM 49 H21 UNL 1 -1.245 -2.198 -0.062 1.00 0.00 H HETATM 50 H22 UNL 1 -3.883 -2.048 -1.979 1.00 0.00 H HETATM 51 H23 UNL 1 -2.134 -1.981 -1.797 1.00 0.00 H HETATM 52 H24 UNL 1 -3.137 -0.469 -2.193 1.00 0.00 H HETATM 53 H25 UNL 1 -4.529 -2.779 -0.117 1.00 0.00 H HETATM 54 H26 UNL 1 -5.131 -2.665 1.972 1.00 0.00 H HETATM 55 H27 UNL 1 -5.665 -0.887 -1.266 1.00 0.00 H HETATM 56 H28 UNL 1 -6.561 -1.536 0.145 1.00 0.00 H HETATM 57 H29 UNL 1 -6.351 1.054 0.086 1.00 0.00 H HETATM 58 H30 UNL 1 -5.891 0.141 1.616 1.00 0.00 H CONECT 1 2 29 30 31 CONECT 2 3 3 28 CONECT 3 4 22 CONECT 4 5 32 33 CONECT 5 6 34 35 CONECT 6 7 8 8 CONECT 7 36 37 38 CONECT 8 9 39 CONECT 9 10 40 41 CONECT 10 11 CONECT 11 12 12 21 CONECT 12 13 42 CONECT 13 14 14 43 CONECT 14 15 20 CONECT 15 16 16 44 CONECT 16 17 45 CONECT 17 18 18 19 CONECT 19 20 CONECT 20 21 21 CONECT 21 46 CONECT 22 23 24 25 CONECT 23 47 48 49 CONECT 24 50 51 52 CONECT 25 26 27 53 CONECT 26 54 CONECT 27 28 55 56 CONECT 28 57 58 END