COMPND HMDB0245983 HETATM 1 C1 UNL 1 -4.181 3.690 -0.965 1.00 0.00 C HETATM 2 C2 UNL 1 -3.405 3.257 0.258 1.00 0.00 C HETATM 3 O1 UNL 1 -4.084 2.407 1.080 1.00 0.00 O HETATM 4 C3 UNL 1 -4.125 1.081 0.735 1.00 0.00 C HETATM 5 O2 UNL 1 -5.173 0.902 -0.148 1.00 0.00 O HETATM 6 C4 UNL 1 -2.792 0.563 0.162 1.00 0.00 C HETATM 7 O3 UNL 1 -2.883 0.809 -1.198 1.00 0.00 O HETATM 8 C5 UNL 1 -2.597 -0.865 0.466 1.00 0.00 C HETATM 9 O4 UNL 1 -2.562 -1.051 1.859 1.00 0.00 O HETATM 10 C6 UNL 1 -3.940 -1.559 0.110 1.00 0.00 C HETATM 11 O5 UNL 1 -4.310 -1.349 -1.189 1.00 0.00 O HETATM 12 C7 UNL 1 -3.823 -3.046 0.349 1.00 0.00 C HETATM 13 O6 UNL 1 -3.657 -3.345 1.698 1.00 0.00 O HETATM 14 C8 UNL 1 -2.635 -3.578 -0.389 1.00 0.00 C HETATM 15 C9 UNL 1 -2.510 -5.060 -0.136 1.00 0.00 C HETATM 16 O7 UNL 1 -3.570 -5.790 -0.644 1.00 0.00 O HETATM 17 O8 UNL 1 -1.509 -2.974 0.172 1.00 0.00 O HETATM 18 C10 UNL 1 -1.507 -1.579 -0.230 1.00 0.00 C HETATM 19 O9 UNL 1 -1.763 -1.724 -1.596 1.00 0.00 O HETATM 20 C11 UNL 1 -0.119 -1.186 0.032 1.00 0.00 C HETATM 21 C12 UNL 1 0.442 -1.289 1.263 1.00 0.00 C HETATM 22 O10 UNL 1 -0.239 -1.800 2.385 1.00 0.00 O HETATM 23 C13 UNL 1 1.742 -0.886 1.458 1.00 0.00 C HETATM 24 C14 UNL 1 2.498 -0.369 0.407 1.00 0.00 C HETATM 25 O11 UNL 1 3.725 0.008 0.608 1.00 0.00 O HETATM 26 C15 UNL 1 4.530 0.513 -0.330 1.00 0.00 C HETATM 27 C16 UNL 1 5.874 0.879 0.085 1.00 0.00 C HETATM 28 C17 UNL 1 6.234 0.680 1.429 1.00 0.00 C HETATM 29 C18 UNL 1 7.476 0.991 1.926 1.00 0.00 C HETATM 30 C19 UNL 1 8.434 1.523 1.095 1.00 0.00 C HETATM 31 O12 UNL 1 9.710 1.852 1.566 1.00 0.00 O HETATM 32 C20 UNL 1 8.111 1.730 -0.228 1.00 0.00 C HETATM 33 O13 UNL 1 9.065 2.272 -1.104 1.00 0.00 O HETATM 34 C21 UNL 1 6.845 1.406 -0.705 1.00 0.00 C HETATM 35 C22 UNL 1 4.062 0.658 -1.599 1.00 0.00 C HETATM 36 O14 UNL 1 4.836 1.170 -2.610 1.00 0.00 O HETATM 37 C23 UNL 1 2.738 0.259 -1.850 1.00 0.00 C HETATM 38 O15 UNL 1 2.349 0.404 -3.010 1.00 0.00 O HETATM 39 C24 UNL 1 1.939 -0.258 -0.857 1.00 0.00 C HETATM 40 C25 UNL 1 0.638 -0.662 -1.052 1.00 0.00 C HETATM 41 O16 UNL 1 0.060 -0.567 -2.278 1.00 0.00 O HETATM 42 C26 UNL 1 -1.787 1.529 0.763 1.00 0.00 C HETATM 43 O17 UNL 1 -2.152 1.949 2.042 1.00 0.00 O HETATM 44 C27 UNL 1 -1.996 2.812 -0.079 1.00 0.00 C HETATM 45 O18 UNL 1 -1.034 3.744 0.211 1.00 0.00 O HETATM 46 H1 UNL 1 -4.240 4.793 -1.068 1.00 0.00 H HETATM 47 H2 UNL 1 -3.739 3.321 -1.912 1.00 0.00 H HETATM 48 H3 UNL 1 -5.232 3.331 -0.910 1.00 0.00 H HETATM 49 H4 UNL 1 -3.256 4.206 0.861 1.00 0.00 H HETATM 50 H5 UNL 1 -4.379 0.538 1.693 1.00 0.00 H HETATM 51 H6 UNL 1 -6.034 0.757 0.270 1.00 0.00 H HETATM 52 H7 UNL 1 -3.779 0.888 -1.555 1.00 0.00 H HETATM 53 H8 UNL 1 -2.659 -0.262 2.393 1.00 0.00 H HETATM 54 H9 UNL 1 -4.743 -1.201 0.776 1.00 0.00 H HETATM 55 H10 UNL 1 -4.515 -2.171 -1.697 1.00 0.00 H HETATM 56 H11 UNL 1 -4.752 -3.509 0.019 1.00 0.00 H HETATM 57 H12 UNL 1 -4.207 -2.785 2.287 1.00 0.00 H HETATM 58 H13 UNL 1 -2.685 -3.410 -1.482 1.00 0.00 H HETATM 59 H14 UNL 1 -2.377 -5.191 0.955 1.00 0.00 H HETATM 60 H15 UNL 1 -1.547 -5.386 -0.601 1.00 0.00 H HETATM 61 H16 UNL 1 -3.196 -6.595 -1.076 1.00 0.00 H HETATM 62 H17 UNL 1 -2.188 -1.035 -2.066 1.00 0.00 H HETATM 63 H18 UNL 1 0.193 -1.868 3.287 1.00 0.00 H HETATM 64 H19 UNL 1 2.190 -0.971 2.454 1.00 0.00 H HETATM 65 H20 UNL 1 5.503 0.265 2.103 1.00 0.00 H HETATM 66 H21 UNL 1 7.738 0.833 2.959 1.00 0.00 H HETATM 67 H22 UNL 1 9.899 1.682 2.544 1.00 0.00 H HETATM 68 H23 UNL 1 8.824 2.418 -2.060 1.00 0.00 H HETATM 69 H24 UNL 1 6.671 1.595 -1.741 1.00 0.00 H HETATM 70 H25 UNL 1 4.540 1.294 -3.552 1.00 0.00 H HETATM 71 H26 UNL 1 0.411 -0.246 -3.104 1.00 0.00 H HETATM 72 H27 UNL 1 -0.758 1.224 0.739 1.00 0.00 H HETATM 73 H28 UNL 1 -1.374 2.116 2.626 1.00 0.00 H HETATM 74 H29 UNL 1 -1.952 2.541 -1.164 1.00 0.00 H HETATM 75 H30 UNL 1 -1.312 4.673 0.107 1.00 0.00 H CONECT 1 2 46 47 48 CONECT 2 3 44 49 CONECT 3 4 CONECT 4 5 6 50 CONECT 5 51 CONECT 6 7 8 42 CONECT 7 52 CONECT 8 9 10 18 CONECT 9 53 CONECT 10 11 12 54 CONECT 11 55 CONECT 12 13 14 56 CONECT 13 57 CONECT 14 15 17 58 CONECT 15 16 59 60 CONECT 16 61 CONECT 17 18 CONECT 18 19 20 CONECT 19 62 CONECT 20 21 21 40 CONECT 21 22 23 CONECT 22 63 CONECT 23 24 24 64 CONECT 24 25 39 CONECT 25 26 CONECT 26 27 35 35 CONECT 27 28 28 34 CONECT 28 29 65 CONECT 29 30 30 66 CONECT 30 31 32 CONECT 31 67 CONECT 32 33 34 34 CONECT 33 68 CONECT 34 69 CONECT 35 36 37 CONECT 36 70 CONECT 37 38 38 39 CONECT 39 40 40 CONECT 40 41 CONECT 41 71 CONECT 42 43 44 72 CONECT 43 73 CONECT 44 45 74 CONECT 45 75 END