COMPND HMDB0015642 HETATM 1 N1 UNL 1 -4.842 0.548 2.133 1.00 0.00 N HETATM 2 C1 UNL 1 -5.460 1.783 2.505 1.00 0.00 C HETATM 3 C2 UNL 1 -4.722 2.963 1.990 1.00 0.00 C HETATM 4 C3 UNL 1 -3.327 3.163 2.460 1.00 0.00 C HETATM 5 O1 UNL 1 -2.876 4.352 1.814 1.00 0.00 O HETATM 6 C4 UNL 1 -2.375 2.079 2.224 1.00 0.00 C HETATM 7 O2 UNL 1 -2.439 1.000 2.846 1.00 0.00 O HETATM 8 N2 UNL 1 -1.317 2.197 1.265 1.00 0.00 N HETATM 9 C5 UNL 1 -0.377 1.119 1.042 1.00 0.00 C HETATM 10 C6 UNL 1 0.966 1.440 1.628 1.00 0.00 C HETATM 11 C7 UNL 1 1.710 2.358 0.732 1.00 0.00 C HETATM 12 N3 UNL 1 0.985 3.580 0.465 1.00 0.00 N HETATM 13 C8 UNL 1 1.999 1.662 -0.541 1.00 0.00 C HETATM 14 O3 UNL 1 2.861 0.590 -0.442 1.00 0.00 O HETATM 15 C9 UNL 1 4.039 0.724 -1.130 1.00 0.00 C HETATM 16 O4 UNL 1 5.050 0.801 -0.149 1.00 0.00 O HETATM 17 C10 UNL 1 4.911 -0.316 0.672 1.00 0.00 C HETATM 18 C11 UNL 1 5.691 -0.180 1.947 1.00 0.00 C HETATM 19 N4 UNL 1 5.258 0.975 2.726 1.00 0.00 N HETATM 20 C12 UNL 1 5.538 -1.473 -0.118 1.00 0.00 C HETATM 21 C13 UNL 1 4.644 -1.696 -1.320 1.00 0.00 C HETATM 22 C14 UNL 1 4.404 -0.405 -2.032 1.00 0.00 C HETATM 23 N5 UNL 1 3.442 -0.639 -3.082 1.00 0.00 N HETATM 24 C15 UNL 1 0.768 1.178 -1.218 1.00 0.00 C HETATM 25 O5 UNL 1 0.299 2.211 -2.035 1.00 0.00 O HETATM 26 C16 UNL 1 -0.348 0.673 -0.396 1.00 0.00 C HETATM 27 O6 UNL 1 -0.211 -0.739 -0.340 1.00 0.00 O HETATM 28 C17 UNL 1 -1.264 -1.416 -0.884 1.00 0.00 C HETATM 29 O7 UNL 1 -0.877 -2.250 -1.928 1.00 0.00 O HETATM 30 C18 UNL 1 -1.991 -2.702 -2.624 1.00 0.00 C HETATM 31 C19 UNL 1 -2.465 -1.716 -3.669 1.00 0.00 C HETATM 32 O8 UNL 1 -3.579 -2.288 -4.287 1.00 0.00 O HETATM 33 C20 UNL 1 -3.095 -3.150 -1.701 1.00 0.00 C HETATM 34 O9 UNL 1 -3.815 -4.227 -2.208 1.00 0.00 O HETATM 35 C21 UNL 1 -2.413 -3.503 -0.374 1.00 0.00 C HETATM 36 N6 UNL 1 -3.298 -4.166 0.537 1.00 0.00 N HETATM 37 C22 UNL 1 -1.988 -2.155 0.221 1.00 0.00 C HETATM 38 O10 UNL 1 -1.185 -2.415 1.318 1.00 0.00 O HETATM 39 H1 UNL 1 -5.459 -0.284 2.287 1.00 0.00 H HETATM 40 H2 UNL 1 -4.532 0.543 1.121 1.00 0.00 H HETATM 41 H3 UNL 1 -6.524 1.773 2.148 1.00 0.00 H HETATM 42 H4 UNL 1 -5.452 1.824 3.618 1.00 0.00 H HETATM 43 H5 UNL 1 -5.299 3.874 2.349 1.00 0.00 H HETATM 44 H6 UNL 1 -4.819 3.035 0.876 1.00 0.00 H HETATM 45 H7 UNL 1 -3.362 3.375 3.549 1.00 0.00 H HETATM 46 H8 UNL 1 -3.307 5.112 2.306 1.00 0.00 H HETATM 47 H9 UNL 1 -1.271 3.092 0.745 1.00 0.00 H HETATM 48 H10 UNL 1 -0.764 0.273 1.701 1.00 0.00 H HETATM 49 H11 UNL 1 1.582 0.531 1.793 1.00 0.00 H HETATM 50 H12 UNL 1 0.796 1.988 2.596 1.00 0.00 H HETATM 51 H13 UNL 1 2.626 2.681 1.282 1.00 0.00 H HETATM 52 H14 UNL 1 1.002 3.855 -0.559 1.00 0.00 H HETATM 53 H15 UNL 1 1.408 4.401 0.954 1.00 0.00 H HETATM 54 H16 UNL 1 2.527 2.410 -1.208 1.00 0.00 H HETATM 55 H17 UNL 1 4.125 1.691 -1.680 1.00 0.00 H HETATM 56 H18 UNL 1 3.840 -0.539 0.885 1.00 0.00 H HETATM 57 H19 UNL 1 6.740 -0.010 1.681 1.00 0.00 H HETATM 58 H20 UNL 1 5.527 -1.062 2.589 1.00 0.00 H HETATM 59 H21 UNL 1 4.465 0.715 3.385 1.00 0.00 H HETATM 60 H22 UNL 1 6.056 1.232 3.345 1.00 0.00 H HETATM 61 H23 UNL 1 5.601 -2.396 0.480 1.00 0.00 H HETATM 62 H24 UNL 1 6.524 -1.102 -0.461 1.00 0.00 H HETATM 63 H25 UNL 1 3.707 -2.186 -1.029 1.00 0.00 H HETATM 64 H26 UNL 1 5.195 -2.367 -2.009 1.00 0.00 H HETATM 65 H27 UNL 1 5.391 -0.118 -2.501 1.00 0.00 H HETATM 66 H28 UNL 1 3.712 0.012 -3.871 1.00 0.00 H HETATM 67 H29 UNL 1 3.551 -1.620 -3.391 1.00 0.00 H HETATM 68 H30 UNL 1 1.016 0.348 -1.967 1.00 0.00 H HETATM 69 H31 UNL 1 0.452 2.043 -3.003 1.00 0.00 H HETATM 70 H32 UNL 1 -1.348 0.837 -0.888 1.00 0.00 H HETATM 71 H33 UNL 1 -2.007 -0.655 -1.261 1.00 0.00 H HETATM 72 H34 UNL 1 -1.662 -3.610 -3.188 1.00 0.00 H HETATM 73 H35 UNL 1 -1.612 -1.579 -4.376 1.00 0.00 H HETATM 74 H36 UNL 1 -2.792 -0.787 -3.196 1.00 0.00 H HETATM 75 H37 UNL 1 -3.505 -3.266 -4.359 1.00 0.00 H HETATM 76 H38 UNL 1 -3.732 -2.264 -1.497 1.00 0.00 H HETATM 77 H39 UNL 1 -4.118 -4.752 -1.400 1.00 0.00 H HETATM 78 H40 UNL 1 -1.512 -4.106 -0.645 1.00 0.00 H HETATM 79 H41 UNL 1 -3.279 -3.671 1.447 1.00 0.00 H HETATM 80 H42 UNL 1 -3.097 -5.164 0.642 1.00 0.00 H HETATM 81 H43 UNL 1 -2.913 -1.650 0.539 1.00 0.00 H HETATM 82 H44 UNL 1 -1.776 -2.415 2.121 1.00 0.00 H CONECT 1 2 39 40 CONECT 2 3 41 42 CONECT 3 4 43 44 CONECT 4 5 6 45 CONECT 5 46 CONECT 6 7 7 8 CONECT 8 9 47 CONECT 9 10 26 48 CONECT 10 11 49 50 CONECT 11 12 13 51 CONECT 12 52 53 CONECT 13 14 24 54 CONECT 14 15 CONECT 15 16 22 55 CONECT 16 17 CONECT 17 18 20 56 CONECT 18 19 57 58 CONECT 19 59 60 CONECT 20 21 61 62 CONECT 21 22 63 64 CONECT 22 23 65 CONECT 23 66 67 CONECT 24 25 26 68 CONECT 25 69 CONECT 26 27 70 CONECT 27 28 CONECT 28 29 37 71 CONECT 29 30 CONECT 30 31 33 72 CONECT 31 32 73 74 CONECT 32 75 CONECT 33 34 35 76 CONECT 34 77 CONECT 35 36 37 78 CONECT 36 79 80 CONECT 37 38 81 CONECT 38 82 END