COMPND HMDB0006500 HETATM 1 C1 UNL 1 -5.794 1.553 0.129 1.00 0.00 C HETATM 2 C2 UNL 1 -4.372 1.839 0.193 1.00 0.00 C HETATM 3 C3 UNL 1 -3.432 0.847 0.475 1.00 0.00 C HETATM 4 C4 UNL 1 -4.034 -0.386 0.667 1.00 0.00 C HETATM 5 C5 UNL 1 -3.563 -1.515 0.842 1.00 0.00 C HETATM 6 C6 UNL 1 -2.240 -2.030 0.901 1.00 0.00 C HETATM 7 C7 UNL 1 -2.235 -3.367 1.179 1.00 0.00 C HETATM 8 C8 UNL 1 -0.975 -4.074 1.277 1.00 0.00 C HETATM 9 C9 UNL 1 -0.119 -3.787 0.102 1.00 0.00 C HETATM 10 C10 UNL 1 0.074 -2.349 -0.179 1.00 0.00 C HETATM 11 C11 UNL 1 -0.387 -2.123 -1.592 1.00 0.00 C HETATM 12 C12 UNL 1 -0.923 -1.518 0.674 1.00 0.00 C HETATM 13 C13 UNL 1 -0.159 -1.269 1.923 1.00 0.00 C HETATM 14 C14 UNL 1 1.286 -1.087 1.458 1.00 0.00 C HETATM 15 C15 UNL 1 1.412 -1.903 0.187 1.00 0.00 C HETATM 16 C16 UNL 1 2.232 -1.107 -0.769 1.00 0.00 C HETATM 17 C17 UNL 1 2.534 -1.765 -2.075 1.00 0.00 C HETATM 18 C18 UNL 1 3.495 -0.762 -0.032 1.00 0.00 C HETATM 19 C19 UNL 1 4.503 0.025 -0.749 1.00 0.00 C HETATM 20 C20 UNL 1 4.023 1.377 -1.221 1.00 0.00 C HETATM 21 C21 UNL 1 3.585 2.244 -0.075 1.00 0.00 C HETATM 22 C22 UNL 1 3.102 3.601 -0.523 1.00 0.00 C HETATM 23 C23 UNL 1 4.664 2.435 0.957 1.00 0.00 C HETATM 24 C24 UNL 1 -2.148 1.499 0.575 1.00 0.00 C HETATM 25 C25 UNL 1 -1.800 1.989 -0.842 1.00 0.00 C HETATM 26 O1 UNL 1 -2.025 0.958 -1.722 1.00 0.00 O HETATM 27 C26 UNL 1 -2.770 3.143 -1.142 1.00 0.00 C HETATM 28 C27 UNL 1 -3.858 3.175 -0.096 1.00 0.00 C HETATM 29 H1 UNL 1 -6.017 0.822 -0.683 1.00 0.00 H HETATM 30 H2 UNL 1 -6.318 2.493 -0.217 1.00 0.00 H HETATM 31 H3 UNL 1 -6.267 1.262 1.107 1.00 0.00 H HETATM 32 H4 UNL 1 -5.236 -0.410 0.691 1.00 0.00 H HETATM 33 H5 UNL 1 -4.409 -2.317 0.979 1.00 0.00 H HETATM 34 H6 UNL 1 -3.200 -3.872 1.330 1.00 0.00 H HETATM 35 H7 UNL 1 -1.323 -5.161 1.066 1.00 0.00 H HETATM 36 H8 UNL 1 -0.500 -4.183 2.247 1.00 0.00 H HETATM 37 H9 UNL 1 -0.572 -4.321 -0.794 1.00 0.00 H HETATM 38 H10 UNL 1 0.881 -4.270 0.316 1.00 0.00 H HETATM 39 H11 UNL 1 -1.496 -2.240 -1.560 1.00 0.00 H HETATM 40 H12 UNL 1 -0.223 -1.099 -1.960 1.00 0.00 H HETATM 41 H13 UNL 1 -0.047 -2.908 -2.293 1.00 0.00 H HETATM 42 H14 UNL 1 -1.019 -0.581 0.075 1.00 0.00 H HETATM 43 H15 UNL 1 -0.120 -2.081 2.660 1.00 0.00 H HETATM 44 H16 UNL 1 -0.539 -0.398 2.493 1.00 0.00 H HETATM 45 H17 UNL 1 1.348 0.009 1.275 1.00 0.00 H HETATM 46 H18 UNL 1 2.017 -1.332 2.225 1.00 0.00 H HETATM 47 H19 UNL 1 2.029 -2.790 0.465 1.00 0.00 H HETATM 48 H20 UNL 1 1.697 -0.160 -0.981 1.00 0.00 H HETATM 49 H21 UNL 1 3.576 -1.504 -2.354 1.00 0.00 H HETATM 50 H22 UNL 1 1.949 -1.342 -2.939 1.00 0.00 H HETATM 51 H23 UNL 1 2.488 -2.868 -2.044 1.00 0.00 H HETATM 52 H24 UNL 1 3.969 -1.759 0.223 1.00 0.00 H HETATM 53 H25 UNL 1 3.320 -0.296 0.954 1.00 0.00 H HETATM 54 H26 UNL 1 5.291 0.284 0.033 1.00 0.00 H HETATM 55 H27 UNL 1 5.110 -0.502 -1.509 1.00 0.00 H HETATM 56 H28 UNL 1 3.116 1.204 -1.856 1.00 0.00 H HETATM 57 H29 UNL 1 4.757 1.868 -1.876 1.00 0.00 H HETATM 58 H30 UNL 1 2.720 1.746 0.406 1.00 0.00 H HETATM 59 H31 UNL 1 3.832 4.128 -1.170 1.00 0.00 H HETATM 60 H32 UNL 1 2.098 3.546 -0.977 1.00 0.00 H HETATM 61 H33 UNL 1 2.990 4.225 0.395 1.00 0.00 H HETATM 62 H34 UNL 1 4.498 1.714 1.784 1.00 0.00 H HETATM 63 H35 UNL 1 5.682 2.220 0.569 1.00 0.00 H HETATM 64 H36 UNL 1 4.570 3.443 1.392 1.00 0.00 H HETATM 65 H37 UNL 1 -2.294 2.531 1.160 1.00 0.00 H HETATM 66 H38 UNL 1 -1.296 1.096 1.046 1.00 0.00 H HETATM 67 H39 UNL 1 -0.789 2.356 -0.825 1.00 0.00 H HETATM 68 H40 UNL 1 -2.553 1.305 -2.485 1.00 0.00 H HETATM 69 H41 UNL 1 -3.242 2.908 -2.115 1.00 0.00 H HETATM 70 H42 UNL 1 -2.205 4.087 -1.196 1.00 0.00 H HETATM 71 H43 UNL 1 -4.713 3.701 -0.676 1.00 0.00 H HETATM 72 H44 UNL 1 -3.637 3.801 0.775 1.00 0.00 H CONECT 1 2 29 30 31 CONECT 2 3 3 28 CONECT 3 4 24 CONECT 4 5 5 32 CONECT 5 6 33 CONECT 6 7 7 12 CONECT 7 8 34 CONECT 8 9 35 36 CONECT 9 10 37 38 CONECT 10 11 12 15 CONECT 11 39 40 41 CONECT 12 13 42 CONECT 13 14 43 44 CONECT 14 15 45 46 CONECT 15 16 47 CONECT 16 17 18 48 CONECT 17 49 50 51 CONECT 18 19 52 53 CONECT 19 20 54 55 CONECT 20 21 56 57 CONECT 21 22 23 58 CONECT 22 59 60 61 CONECT 23 62 63 64 CONECT 24 25 65 66 CONECT 25 26 27 67 CONECT 26 68 CONECT 27 28 69 70 CONECT 28 71 72 END