COMPND HMDB0041433 HETATM 1 C1 UNL 1 -8.850 -3.264 4.728 1.00 0.00 C HETATM 2 O1 UNL 1 -9.247 -2.659 3.672 1.00 0.00 O HETATM 3 C2 UNL 1 -9.572 -2.012 2.597 1.00 0.00 C HETATM 4 C3 UNL 1 -8.662 -1.162 1.912 1.00 0.00 C HETATM 5 C4 UNL 1 -8.976 -0.469 0.786 1.00 0.00 C HETATM 6 C5 UNL 1 -7.987 0.387 0.104 1.00 0.00 C HETATM 7 C6 UNL 1 -6.734 0.417 0.412 1.00 0.00 C HETATM 8 C7 UNL 1 -5.682 1.225 -0.188 1.00 0.00 C HETATM 9 O2 UNL 1 -5.970 2.042 -1.078 1.00 0.00 O HETATM 10 N1 UNL 1 -4.332 1.091 0.221 1.00 0.00 N HETATM 11 C8 UNL 1 -3.224 1.854 -0.289 1.00 0.00 C HETATM 12 C9 UNL 1 -1.903 1.272 0.316 1.00 0.00 C HETATM 13 C10 UNL 1 -1.712 -0.089 -0.159 1.00 0.00 C HETATM 14 C11 UNL 1 -2.203 -1.241 0.413 1.00 0.00 C HETATM 15 N2 UNL 1 -1.949 -2.285 -0.373 1.00 0.00 N HETATM 16 C12 UNL 1 -1.285 -1.890 -1.483 1.00 0.00 C HETATM 17 C13 UNL 1 -0.800 -2.602 -2.564 1.00 0.00 C HETATM 18 C14 UNL 1 -0.128 -1.916 -3.552 1.00 0.00 C HETATM 19 C15 UNL 1 0.065 -0.564 -3.477 1.00 0.00 C HETATM 20 O3 UNL 1 0.757 0.129 -4.498 1.00 0.00 O HETATM 21 C16 UNL 1 -0.430 0.116 -2.391 1.00 0.00 C HETATM 22 C17 UNL 1 -0.135 1.529 -2.219 1.00 0.00 C HETATM 23 C18 UNL 1 -0.910 2.478 -2.820 1.00 0.00 C HETATM 24 O4 UNL 1 -1.985 2.123 -3.671 1.00 0.00 O HETATM 25 C19 UNL 1 -0.630 3.804 -2.590 1.00 0.00 C HETATM 26 C20 UNL 1 0.393 4.208 -1.787 1.00 0.00 C HETATM 27 C21 UNL 1 1.162 3.205 -1.195 1.00 0.00 C HETATM 28 N3 UNL 1 2.225 3.293 -0.350 1.00 0.00 N HETATM 29 C22 UNL 1 2.652 2.086 -0.024 1.00 0.00 C HETATM 30 C23 UNL 1 1.866 1.112 -0.659 1.00 0.00 C HETATM 31 C24 UNL 1 2.078 -0.343 -0.644 1.00 0.00 C HETATM 32 C25 UNL 1 3.021 -0.849 -1.708 1.00 0.00 C HETATM 33 N4 UNL 1 4.380 -0.374 -1.509 1.00 0.00 N HETATM 34 C26 UNL 1 5.138 -0.724 -0.381 1.00 0.00 C HETATM 35 O5 UNL 1 4.569 -1.500 0.478 1.00 0.00 O HETATM 36 C27 UNL 1 6.508 -0.287 -0.100 1.00 0.00 C HETATM 37 C28 UNL 1 7.120 -0.667 1.008 1.00 0.00 C HETATM 38 C29 UNL 1 8.442 -0.339 1.437 1.00 0.00 C HETATM 39 C30 UNL 1 8.875 -0.811 2.667 1.00 0.00 C HETATM 40 C31 UNL 1 10.134 -0.548 3.144 1.00 0.00 C HETATM 41 C32 UNL 1 10.998 0.201 2.395 1.00 0.00 C HETATM 42 O6 UNL 1 12.263 0.463 2.880 1.00 0.00 O HETATM 43 C33 UNL 1 10.600 0.681 1.173 1.00 0.00 C HETATM 44 O7 UNL 1 11.433 1.439 0.379 1.00 0.00 O HETATM 45 C34 UNL 1 11.078 1.950 -0.874 1.00 0.00 C HETATM 46 C35 UNL 1 9.315 0.406 0.701 1.00 0.00 C HETATM 47 C36 UNL 1 0.923 1.852 -1.394 1.00 0.00 C HETATM 48 C37 UNL 1 -1.121 -0.515 -1.369 1.00 0.00 C HETATM 49 C38 UNL 1 -10.253 -0.615 0.297 1.00 0.00 C HETATM 50 C39 UNL 1 -11.184 -1.439 0.932 1.00 0.00 C HETATM 51 C40 UNL 1 -10.877 -2.135 2.062 1.00 0.00 C HETATM 52 O8 UNL 1 -11.796 -2.960 2.705 1.00 0.00 O HETATM 53 H1 UNL 1 -7.723 -3.340 4.917 1.00 0.00 H HETATM 54 H2 UNL 1 -9.243 -4.337 4.805 1.00 0.00 H HETATM 55 H3 UNL 1 -9.270 -2.819 5.700 1.00 0.00 H HETATM 56 H4 UNL 1 -7.674 -1.085 2.343 1.00 0.00 H HETATM 57 H5 UNL 1 -8.332 1.015 -0.693 1.00 0.00 H HETATM 58 H6 UNL 1 -6.382 -0.244 1.218 1.00 0.00 H HETATM 59 H7 UNL 1 -4.148 0.386 0.963 1.00 0.00 H HETATM 60 H8 UNL 1 -3.346 2.895 -0.021 1.00 0.00 H HETATM 61 H9 UNL 1 -3.201 1.738 -1.374 1.00 0.00 H HETATM 62 H10 UNL 1 -2.221 1.168 1.412 1.00 0.00 H HETATM 63 H11 UNL 1 -1.209 2.032 0.309 1.00 0.00 H HETATM 64 H12 UNL 1 -2.715 -1.333 1.367 1.00 0.00 H HETATM 65 H13 UNL 1 -2.205 -3.305 -0.216 1.00 0.00 H HETATM 66 H14 UNL 1 -0.950 -3.670 -2.622 1.00 0.00 H HETATM 67 H15 UNL 1 0.283 -2.423 -4.439 1.00 0.00 H HETATM 68 H16 UNL 1 0.923 1.102 -4.495 1.00 0.00 H HETATM 69 H17 UNL 1 -2.569 2.779 -4.120 1.00 0.00 H HETATM 70 H18 UNL 1 -1.286 4.531 -3.092 1.00 0.00 H HETATM 71 H19 UNL 1 0.614 5.235 -1.610 1.00 0.00 H HETATM 72 H20 UNL 1 2.610 4.239 -0.039 1.00 0.00 H HETATM 73 H21 UNL 1 3.493 1.883 0.642 1.00 0.00 H HETATM 74 H22 UNL 1 2.697 -0.493 0.327 1.00 0.00 H HETATM 75 H23 UNL 1 1.256 -0.997 -0.426 1.00 0.00 H HETATM 76 H24 UNL 1 2.730 -0.609 -2.743 1.00 0.00 H HETATM 77 H25 UNL 1 3.085 -1.957 -1.657 1.00 0.00 H HETATM 78 H26 UNL 1 4.828 0.246 -2.212 1.00 0.00 H HETATM 79 H27 UNL 1 7.033 0.338 -0.776 1.00 0.00 H HETATM 80 H28 UNL 1 6.511 -1.317 1.660 1.00 0.00 H HETATM 81 H29 UNL 1 8.218 -1.405 3.289 1.00 0.00 H HETATM 82 H30 UNL 1 10.488 -0.913 4.112 1.00 0.00 H HETATM 83 H31 UNL 1 12.559 0.107 3.785 1.00 0.00 H HETATM 84 H32 UNL 1 11.957 2.544 -1.261 1.00 0.00 H HETATM 85 H33 UNL 1 10.786 1.155 -1.595 1.00 0.00 H HETATM 86 H34 UNL 1 10.180 2.607 -0.735 1.00 0.00 H HETATM 87 H35 UNL 1 9.021 0.789 -0.258 1.00 0.00 H HETATM 88 H36 UNL 1 -10.537 -0.087 -0.593 1.00 0.00 H HETATM 89 H37 UNL 1 -12.198 -1.555 0.526 1.00 0.00 H HETATM 90 H38 UNL 1 -11.519 -3.449 3.528 1.00 0.00 H CONECT 1 2 53 54 55 CONECT 2 3 CONECT 3 4 4 51 CONECT 4 5 56 CONECT 5 6 49 49 CONECT 6 7 7 57 CONECT 7 8 58 CONECT 8 9 9 10 CONECT 10 11 59 CONECT 11 12 60 61 CONECT 12 13 62 63 CONECT 13 14 14 48 CONECT 14 15 64 CONECT 15 16 65 CONECT 16 17 17 48 CONECT 17 18 66 CONECT 18 19 19 67 CONECT 19 20 21 CONECT 20 68 CONECT 21 22 48 48 CONECT 22 23 23 47 CONECT 23 24 25 CONECT 24 69 CONECT 25 26 26 70 CONECT 26 27 71 CONECT 27 28 47 47 CONECT 28 29 72 CONECT 29 30 30 73 CONECT 30 31 47 CONECT 31 32 74 75 CONECT 32 33 76 77 CONECT 33 34 78 CONECT 34 35 35 36 CONECT 36 37 37 79 CONECT 37 38 80 CONECT 38 39 39 46 CONECT 39 40 81 CONECT 40 41 41 82 CONECT 41 42 43 CONECT 42 83 CONECT 43 44 46 46 CONECT 44 45 CONECT 45 84 85 86 CONECT 46 87 CONECT 49 50 88 CONECT 50 51 51 89 CONECT 51 52 CONECT 52 90 END