COMPND HMDB0040610 HETATM 1 O1 UNL 1 -4.315 1.757 0.954 1.00 0.00 O HETATM 2 C1 UNL 1 -5.053 0.810 0.588 1.00 0.00 C HETATM 3 O2 UNL 1 -6.409 1.015 0.583 1.00 0.00 O HETATM 4 C2 UNL 1 -4.426 -0.443 0.191 1.00 0.00 C HETATM 5 C3 UNL 1 -5.274 -1.464 -0.209 1.00 0.00 C HETATM 6 C4 UNL 1 -4.951 -2.715 -0.687 1.00 0.00 C HETATM 7 O3 UNL 1 -5.997 -3.612 -0.707 1.00 0.00 O HETATM 8 C5 UNL 1 -3.712 -3.118 -1.127 1.00 0.00 C HETATM 9 O4 UNL 1 -3.667 -4.277 -1.631 1.00 0.00 O HETATM 10 C6 UNL 1 -2.486 -2.438 -1.103 1.00 0.00 C HETATM 11 C7 UNL 1 -1.538 -3.119 -1.837 1.00 0.00 C HETATM 12 O5 UNL 1 -1.923 -4.305 -2.454 1.00 0.00 O HETATM 13 C8 UNL 1 -0.277 -2.587 -1.916 1.00 0.00 C HETATM 14 O6 UNL 1 0.716 -3.231 -2.643 1.00 0.00 O HETATM 15 C9 UNL 1 0.026 -1.377 -1.257 1.00 0.00 C HETATM 16 C10 UNL 1 -0.901 -0.688 -0.523 1.00 0.00 C HETATM 17 C11 UNL 1 -0.614 0.561 0.170 1.00 0.00 C HETATM 18 O7 UNL 1 -1.382 1.637 -0.396 1.00 0.00 O HETATM 19 C12 UNL 1 -1.169 2.912 0.078 1.00 0.00 C HETATM 20 C13 UNL 1 -2.069 3.928 -0.282 1.00 0.00 C HETATM 21 C14 UNL 1 -1.830 5.187 0.207 1.00 0.00 C HETATM 22 O8 UNL 1 -2.712 6.227 -0.134 1.00 0.00 O HETATM 23 C15 UNL 1 -0.766 5.483 1.018 1.00 0.00 C HETATM 24 C16 UNL 1 0.119 4.475 1.369 1.00 0.00 C HETATM 25 O9 UNL 1 1.196 4.754 2.186 1.00 0.00 O HETATM 26 C17 UNL 1 -0.087 3.177 0.892 1.00 0.00 C HETATM 27 C18 UNL 1 0.878 2.127 1.286 1.00 0.00 C HETATM 28 C19 UNL 1 0.797 1.045 0.119 1.00 0.00 C HETATM 29 O10 UNL 1 1.788 0.139 0.548 1.00 0.00 O HETATM 30 C20 UNL 1 3.031 0.239 -0.115 1.00 0.00 C HETATM 31 O11 UNL 1 3.191 1.096 -1.021 1.00 0.00 O HETATM 32 C21 UNL 1 4.131 -0.626 0.224 1.00 0.00 C HETATM 33 C22 UNL 1 5.326 -0.515 -0.431 1.00 0.00 C HETATM 34 C23 UNL 1 6.382 -1.341 -0.111 1.00 0.00 C HETATM 35 O12 UNL 1 7.606 -1.262 -0.747 1.00 0.00 O HETATM 36 C24 UNL 1 6.194 -2.272 0.880 1.00 0.00 C HETATM 37 O13 UNL 1 7.218 -3.152 1.267 1.00 0.00 O HETATM 38 C25 UNL 1 5.007 -2.392 1.539 1.00 0.00 C HETATM 39 O14 UNL 1 4.823 -3.349 2.553 1.00 0.00 O HETATM 40 C26 UNL 1 3.974 -1.566 1.209 1.00 0.00 C HETATM 41 C27 UNL 1 -2.168 -1.264 -0.472 1.00 0.00 C HETATM 42 C28 UNL 1 -3.022 -0.480 0.260 1.00 0.00 C HETATM 43 H1 UNL 1 -7.041 0.820 -0.161 1.00 0.00 H HETATM 44 H2 UNL 1 -6.327 -1.199 -0.115 1.00 0.00 H HETATM 45 H3 UNL 1 -6.925 -3.426 -0.414 1.00 0.00 H HETATM 46 H4 UNL 1 -1.273 -4.832 -2.996 1.00 0.00 H HETATM 47 H5 UNL 1 0.572 -4.092 -3.135 1.00 0.00 H HETATM 48 H6 UNL 1 1.024 -0.995 -1.365 1.00 0.00 H HETATM 49 H7 UNL 1 -0.805 0.477 1.291 1.00 0.00 H HETATM 50 H8 UNL 1 -2.901 3.670 -0.922 1.00 0.00 H HETATM 51 H9 UNL 1 -2.547 6.791 -0.967 1.00 0.00 H HETATM 52 H10 UNL 1 -0.589 6.497 1.401 1.00 0.00 H HETATM 53 H11 UNL 1 1.865 4.074 2.483 1.00 0.00 H HETATM 54 H12 UNL 1 0.469 1.585 2.146 1.00 0.00 H HETATM 55 H13 UNL 1 1.909 2.460 1.347 1.00 0.00 H HETATM 56 H14 UNL 1 1.085 1.632 -0.770 1.00 0.00 H HETATM 57 H15 UNL 1 5.513 0.213 -1.223 1.00 0.00 H HETATM 58 H16 UNL 1 7.813 -0.610 -1.476 1.00 0.00 H HETATM 59 H17 UNL 1 8.123 -3.112 0.814 1.00 0.00 H HETATM 60 H18 UNL 1 3.941 -3.430 3.035 1.00 0.00 H HETATM 61 H19 UNL 1 3.022 -1.676 1.751 1.00 0.00 H HETATM 62 H20 UNL 1 -2.583 0.175 0.958 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 43 CONECT 4 5 42 42 CONECT 5 6 6 44 CONECT 6 7 8 CONECT 7 45 CONECT 8 9 9 10 CONECT 10 11 11 41 CONECT 11 12 13 CONECT 12 46 CONECT 13 14 15 15 CONECT 14 47 CONECT 15 16 48 CONECT 16 17 41 41 CONECT 17 18 28 49 CONECT 18 19 CONECT 19 20 20 26 CONECT 20 21 50 CONECT 21 22 23 23 CONECT 22 51 CONECT 23 24 52 CONECT 24 25 26 26 CONECT 25 53 CONECT 26 27 CONECT 27 28 54 55 CONECT 28 29 56 CONECT 29 30 CONECT 30 31 31 32 CONECT 32 33 33 40 CONECT 33 34 57 CONECT 34 35 36 36 CONECT 35 58 CONECT 36 37 38 CONECT 37 59 CONECT 38 39 40 40 CONECT 39 60 CONECT 40 61 CONECT 41 42 CONECT 42 62 END