COMPND HMDB0061139 HETATM 1 C1 UNL 1 0.983 -0.768 -2.533 1.00 0.00 C HETATM 2 N1 UNL 1 1.313 -1.422 -1.293 1.00 0.00 N1+ HETATM 3 C2 UNL 1 2.252 -2.528 -1.739 1.00 0.00 C HETATM 4 C3 UNL 1 0.315 -2.103 -0.583 1.00 0.00 C HETATM 5 C4 UNL 1 -1.136 -1.816 -1.093 1.00 0.00 C HETATM 6 C5 UNL 1 -1.406 -0.398 -0.899 1.00 0.00 C HETATM 7 C6 UNL 1 -2.501 0.013 -0.317 1.00 0.00 C HETATM 8 C7 UNL 1 -3.437 -1.055 0.106 1.00 0.00 C HETATM 9 C8 UNL 1 -3.542 -1.941 -0.924 1.00 0.00 C HETATM 10 C9 UNL 1 -4.368 -3.036 -0.687 1.00 0.00 C HETATM 11 C10 UNL 1 -5.025 -3.164 0.546 1.00 0.00 C HETATM 12 C11 UNL 1 -4.864 -2.208 1.542 1.00 0.00 C HETATM 13 C12 UNL 1 -4.056 -1.112 1.350 1.00 0.00 C HETATM 14 C13 UNL 1 -3.980 -0.139 2.458 1.00 0.00 C HETATM 15 O1 UNL 1 -4.022 1.222 2.073 1.00 0.00 O HETATM 16 C14 UNL 1 -3.370 1.955 1.071 1.00 0.00 C HETATM 17 C15 UNL 1 -3.427 3.324 1.214 1.00 0.00 C HETATM 18 C16 UNL 1 -2.810 4.124 0.267 1.00 0.00 C HETATM 19 C17 UNL 1 -2.135 3.572 -0.828 1.00 0.00 C HETATM 20 C18 UNL 1 -2.063 2.191 -0.997 1.00 0.00 C HETATM 21 C19 UNL 1 -2.688 1.464 -0.030 1.00 0.00 C HETATM 22 O2 UNL 1 2.102 -0.616 -0.639 1.00 0.00 O HETATM 23 C20 UNL 1 1.787 0.121 0.415 1.00 0.00 C HETATM 24 O3 UNL 1 1.986 1.457 0.046 1.00 0.00 O HETATM 25 C21 UNL 1 3.214 1.959 0.305 1.00 0.00 C HETATM 26 C22 UNL 1 3.552 2.973 -0.715 1.00 0.00 C HETATM 27 O4 UNL 1 2.731 3.222 -1.619 1.00 0.00 O HETATM 28 O5 UNL 1 4.750 3.652 -0.699 1.00 0.00 O HETATM 29 C23 UNL 1 4.336 0.955 0.301 1.00 0.00 C HETATM 30 O6 UNL 1 5.494 1.626 0.706 1.00 0.00 O HETATM 31 C24 UNL 1 4.114 -0.178 1.265 1.00 0.00 C HETATM 32 O7 UNL 1 4.534 -1.348 0.633 1.00 0.00 O HETATM 33 C25 UNL 1 2.672 -0.202 1.639 1.00 0.00 C HETATM 34 O8 UNL 1 2.446 0.762 2.613 1.00 0.00 O HETATM 35 H1 UNL 1 0.036 -0.985 -2.991 1.00 0.00 H HETATM 36 H2 UNL 1 1.754 -1.115 -3.299 1.00 0.00 H HETATM 37 H3 UNL 1 1.219 0.333 -2.491 1.00 0.00 H HETATM 38 H4 UNL 1 2.813 -2.894 -0.855 1.00 0.00 H HETATM 39 H5 UNL 1 3.000 -2.101 -2.434 1.00 0.00 H HETATM 40 H6 UNL 1 1.680 -3.351 -2.162 1.00 0.00 H HETATM 41 H7 UNL 1 0.499 -3.201 -0.636 1.00 0.00 H HETATM 42 H8 UNL 1 0.267 -1.785 0.506 1.00 0.00 H HETATM 43 H9 UNL 1 -0.995 -2.278 -2.044 1.00 0.00 H HETATM 44 H10 UNL 1 -1.598 -2.480 -0.297 1.00 0.00 H HETATM 45 H11 UNL 1 -0.709 0.337 -1.197 1.00 0.00 H HETATM 46 H12 UNL 1 -3.111 -1.795 -1.872 1.00 0.00 H HETATM 47 H13 UNL 1 -4.515 -3.791 -1.434 1.00 0.00 H HETATM 48 H14 UNL 1 -5.674 -4.005 0.759 1.00 0.00 H HETATM 49 H15 UNL 1 -5.364 -2.293 2.497 1.00 0.00 H HETATM 50 H16 UNL 1 -4.890 -0.308 3.096 1.00 0.00 H HETATM 51 H17 UNL 1 -3.120 -0.343 3.140 1.00 0.00 H HETATM 52 H18 UNL 1 -3.952 3.738 2.064 1.00 0.00 H HETATM 53 H19 UNL 1 -2.846 5.192 0.366 1.00 0.00 H HETATM 54 H20 UNL 1 -1.648 4.176 -1.577 1.00 0.00 H HETATM 55 H21 UNL 1 -1.578 1.716 -1.826 1.00 0.00 H HETATM 56 H22 UNL 1 0.765 0.101 0.831 1.00 0.00 H HETATM 57 H23 UNL 1 3.216 2.523 1.287 1.00 0.00 H HETATM 58 H24 UNL 1 5.185 4.014 0.140 1.00 0.00 H HETATM 59 H25 UNL 1 4.517 0.603 -0.733 1.00 0.00 H HETATM 60 H26 UNL 1 5.620 1.599 1.683 1.00 0.00 H HETATM 61 H27 UNL 1 4.712 -0.082 2.192 1.00 0.00 H HETATM 62 H28 UNL 1 5.290 -1.786 1.103 1.00 0.00 H HETATM 63 H29 UNL 1 2.410 -1.220 1.968 1.00 0.00 H HETATM 64 H30 UNL 1 3.267 0.923 3.166 1.00 0.00 H CONECT 1 2 35 36 37 CONECT 2 3 4 22 CONECT 3 38 39 40 CONECT 4 5 41 42 CONECT 5 6 43 44 CONECT 6 7 7 45 CONECT 7 8 21 CONECT 8 9 9 13 CONECT 9 10 46 CONECT 10 11 11 47 CONECT 11 12 48 CONECT 12 13 13 49 CONECT 13 14 CONECT 14 15 50 51 CONECT 15 16 CONECT 16 17 17 21 CONECT 17 18 52 CONECT 18 19 19 53 CONECT 19 20 54 CONECT 20 21 21 55 CONECT 22 23 CONECT 23 24 33 56 CONECT 24 25 CONECT 25 26 29 57 CONECT 26 27 27 28 CONECT 28 58 CONECT 29 30 31 59 CONECT 30 60 CONECT 31 32 33 61 CONECT 32 62 CONECT 33 34 63 CONECT 34 64 END