COMPND HMDB0060391 HETATM 1 N1 UNL 1 6.817 0.988 1.304 1.00 0.00 N HETATM 2 C1 UNL 1 6.513 -0.422 1.449 1.00 0.00 C HETATM 3 C2 UNL 1 6.444 -1.080 0.112 1.00 0.00 C HETATM 4 C3 UNL 1 5.414 -0.540 -0.819 1.00 0.00 C HETATM 5 C4 UNL 1 4.032 -0.619 -0.354 1.00 0.00 C HETATM 6 O1 UNL 1 3.625 0.010 0.807 1.00 0.00 O HETATM 7 N2 UNL 1 3.174 -1.270 -1.009 1.00 0.00 N HETATM 8 C5 UNL 1 1.792 -1.524 -0.816 1.00 0.00 C HETATM 9 C6 UNL 1 1.169 -0.801 0.307 1.00 0.00 C HETATM 10 S1 UNL 1 -0.543 -0.959 0.654 1.00 0.00 S HETATM 11 C7 UNL 1 -1.699 -0.014 -0.379 1.00 0.00 C HETATM 12 C8 UNL 1 -3.055 -0.383 0.079 1.00 0.00 C HETATM 13 C9 UNL 1 -3.375 -1.751 0.162 1.00 0.00 C HETATM 14 C10 UNL 1 -4.613 -2.156 0.559 1.00 0.00 C HETATM 15 C11 UNL 1 -4.883 -3.520 0.625 1.00 0.00 C HETATM 16 C12 UNL 1 -6.103 -4.007 1.015 1.00 0.00 C HETATM 17 C13 UNL 1 -7.080 -3.109 1.348 1.00 0.00 C HETATM 18 C14 UNL 1 -6.833 -1.754 1.289 1.00 0.00 C HETATM 19 C15 UNL 1 -5.618 -1.270 0.901 1.00 0.00 C HETATM 20 C16 UNL 1 -5.299 0.081 0.819 1.00 0.00 C HETATM 21 C17 UNL 1 -6.275 0.987 1.146 1.00 0.00 C HETATM 22 C18 UNL 1 -5.972 2.353 1.065 1.00 0.00 C HETATM 23 C19 UNL 1 -4.726 2.782 0.669 1.00 0.00 C HETATM 24 C20 UNL 1 -4.516 4.167 0.615 1.00 0.00 C HETATM 25 C21 UNL 1 -3.274 4.597 0.217 1.00 0.00 C HETATM 26 C22 UNL 1 -2.287 3.702 -0.112 1.00 0.00 C HETATM 27 C23 UNL 1 -2.506 2.310 -0.054 1.00 0.00 C HETATM 28 C24 UNL 1 -3.734 1.873 0.338 1.00 0.00 C HETATM 29 C25 UNL 1 -4.027 0.505 0.411 1.00 0.00 C HETATM 30 C26 UNL 1 -1.411 1.418 -0.389 1.00 0.00 C HETATM 31 O2 UNL 1 -0.371 1.729 0.557 1.00 0.00 O HETATM 32 C27 UNL 1 1.097 -1.582 -2.107 1.00 0.00 C HETATM 33 O3 UNL 1 -0.143 -2.286 -2.157 1.00 0.00 O HETATM 34 N3 UNL 1 1.445 -1.089 -3.223 1.00 0.00 N HETATM 35 C28 UNL 1 2.586 -0.353 -3.545 1.00 0.00 C HETATM 36 C29 UNL 1 2.659 1.020 -2.988 1.00 0.00 C HETATM 37 O4 UNL 1 3.678 1.746 -3.172 1.00 0.00 O HETATM 38 O5 UNL 1 1.599 1.513 -2.258 1.00 0.00 O HETATM 39 C30 UNL 1 7.612 -1.050 2.216 1.00 0.00 C HETATM 40 O6 UNL 1 7.623 -2.275 2.490 1.00 0.00 O HETATM 41 O7 UNL 1 8.674 -0.283 2.658 1.00 0.00 O HETATM 42 H1 UNL 1 6.080 1.460 0.754 1.00 0.00 H HETATM 43 H2 UNL 1 6.880 1.416 2.258 1.00 0.00 H HETATM 44 H3 UNL 1 5.599 -0.532 2.058 1.00 0.00 H HETATM 45 H4 UNL 1 7.455 -1.016 -0.341 1.00 0.00 H HETATM 46 H5 UNL 1 6.247 -2.161 0.268 1.00 0.00 H HETATM 47 H6 UNL 1 5.684 0.539 -1.023 1.00 0.00 H HETATM 48 H7 UNL 1 5.486 -1.031 -1.809 1.00 0.00 H HETATM 49 H8 UNL 1 3.703 1.025 0.817 1.00 0.00 H HETATM 50 H9 UNL 1 1.726 -2.650 -0.464 1.00 0.00 H HETATM 51 H10 UNL 1 1.705 -1.135 1.272 1.00 0.00 H HETATM 52 H11 UNL 1 1.430 0.299 0.165 1.00 0.00 H HETATM 53 H12 UNL 1 -1.650 -0.373 -1.442 1.00 0.00 H HETATM 54 H13 UNL 1 -2.606 -2.448 -0.100 1.00 0.00 H HETATM 55 H14 UNL 1 -4.096 -4.211 0.358 1.00 0.00 H HETATM 56 H15 UNL 1 -6.275 -5.072 1.054 1.00 0.00 H HETATM 57 H16 UNL 1 -8.067 -3.465 1.664 1.00 0.00 H HETATM 58 H17 UNL 1 -7.633 -1.107 1.561 1.00 0.00 H HETATM 59 H18 UNL 1 -7.256 0.713 1.460 1.00 0.00 H HETATM 60 H19 UNL 1 -6.734 3.092 1.320 1.00 0.00 H HETATM 61 H20 UNL 1 -5.299 4.857 0.877 1.00 0.00 H HETATM 62 H21 UNL 1 -3.128 5.676 0.180 1.00 0.00 H HETATM 63 H22 UNL 1 -1.323 4.110 -0.425 1.00 0.00 H HETATM 64 H23 UNL 1 -0.958 1.766 -1.373 1.00 0.00 H HETATM 65 H24 UNL 1 -0.410 2.698 0.666 1.00 0.00 H HETATM 66 H25 UNL 1 -0.793 -2.073 -2.885 1.00 0.00 H HETATM 67 H26 UNL 1 3.516 -0.883 -3.240 1.00 0.00 H HETATM 68 H27 UNL 1 2.655 -0.252 -4.674 1.00 0.00 H HETATM 69 H28 UNL 1 1.666 2.375 -1.763 1.00 0.00 H HETATM 70 H29 UNL 1 8.788 0.696 2.381 1.00 0.00 H CONECT 1 2 42 43 CONECT 2 3 39 44 CONECT 3 4 45 46 CONECT 4 5 47 48 CONECT 5 6 7 7 CONECT 6 49 CONECT 7 8 CONECT 8 9 32 50 CONECT 9 10 51 52 CONECT 10 11 CONECT 11 12 30 53 CONECT 12 13 13 29 CONECT 13 14 54 CONECT 14 15 15 19 CONECT 15 16 55 CONECT 16 17 17 56 CONECT 17 18 57 CONECT 18 19 19 58 CONECT 19 20 CONECT 20 21 21 29 CONECT 21 22 59 CONECT 22 23 23 60 CONECT 23 24 28 CONECT 24 25 25 61 CONECT 25 26 62 CONECT 26 27 27 63 CONECT 27 28 30 CONECT 28 29 29 CONECT 30 31 64 CONECT 31 65 CONECT 32 33 34 34 CONECT 33 66 CONECT 34 35 CONECT 35 36 67 68 CONECT 36 37 37 38 CONECT 38 69 CONECT 39 40 40 41 CONECT 41 70 END