COMPND HMDB0001282 HETATM 1 N1 UNL 1 12.159 1.234 3.809 1.00 0.00 N HETATM 2 C1 UNL 1 11.148 1.242 2.807 1.00 0.00 C HETATM 3 N2 UNL 1 9.938 1.797 2.985 1.00 0.00 N HETATM 4 C2 UNL 1 8.985 1.804 2.039 1.00 0.00 C HETATM 5 N3 UNL 1 9.265 1.226 0.860 1.00 0.00 N HETATM 6 C3 UNL 1 10.443 0.645 0.582 1.00 0.00 C HETATM 7 C4 UNL 1 11.404 0.656 1.582 1.00 0.00 C HETATM 8 N4 UNL 1 12.471 0.030 1.077 1.00 0.00 N HETATM 9 C5 UNL 1 12.190 -0.359 -0.191 1.00 0.00 C HETATM 10 N5 UNL 1 10.940 0.013 -0.514 1.00 0.00 N HETATM 11 C6 UNL 1 10.214 -0.186 -1.753 1.00 0.00 C HETATM 12 O1 UNL 1 8.998 0.434 -1.705 1.00 0.00 O HETATM 13 C7 UNL 1 8.044 -0.426 -2.229 1.00 0.00 C HETATM 14 C8 UNL 1 6.648 -0.116 -1.801 1.00 0.00 C HETATM 15 O2 UNL 1 5.789 -1.024 -2.374 1.00 0.00 O HETATM 16 P1 UNL 1 4.193 -0.724 -1.927 1.00 0.00 P HETATM 17 O3 UNL 1 3.212 -1.418 -2.837 1.00 0.00 O HETATM 18 O4 UNL 1 3.869 0.946 -2.038 1.00 0.00 O HETATM 19 O5 UNL 1 3.908 -1.285 -0.352 1.00 0.00 O HETATM 20 P2 UNL 1 2.471 -0.622 0.262 1.00 0.00 P HETATM 21 O6 UNL 1 1.516 -1.791 0.462 1.00 0.00 O HETATM 22 O7 UNL 1 2.820 0.149 1.705 1.00 0.00 O HETATM 23 O8 UNL 1 1.866 0.467 -0.869 1.00 0.00 O HETATM 24 P3 UNL 1 1.587 1.969 -0.171 1.00 0.00 P HETATM 25 O9 UNL 1 2.844 2.540 0.415 1.00 0.00 O HETATM 26 O10 UNL 1 0.359 1.835 0.996 1.00 0.00 O HETATM 27 O11 UNL 1 0.999 3.016 -1.375 1.00 0.00 O HETATM 28 P4 UNL 1 -0.624 2.672 -1.668 1.00 0.00 P HETATM 29 O12 UNL 1 -0.970 2.767 -3.136 1.00 0.00 O HETATM 30 O13 UNL 1 -1.601 3.722 -0.746 1.00 0.00 O HETATM 31 O14 UNL 1 -0.940 1.086 -1.173 1.00 0.00 O HETATM 32 P5 UNL 1 -2.321 0.487 -1.940 1.00 0.00 P HETATM 33 O15 UNL 1 -2.045 0.442 -3.415 1.00 0.00 O HETATM 34 O16 UNL 1 -2.591 -1.082 -1.409 1.00 0.00 O HETATM 35 O17 UNL 1 -3.601 1.527 -1.570 1.00 0.00 O HETATM 36 P6 UNL 1 -4.213 1.239 -0.028 1.00 0.00 P HETATM 37 O18 UNL 1 -4.201 2.588 0.700 1.00 0.00 O HETATM 38 O19 UNL 1 -3.244 0.206 0.858 1.00 0.00 O HETATM 39 O20 UNL 1 -5.800 0.720 -0.052 1.00 0.00 O HETATM 40 C9 UNL 1 -5.885 -0.607 -0.394 1.00 0.00 C HETATM 41 C10 UNL 1 -7.313 -1.109 -0.427 1.00 0.00 C HETATM 42 O21 UNL 1 -7.932 -0.974 0.815 1.00 0.00 O HETATM 43 C11 UNL 1 -9.266 -1.212 0.488 1.00 0.00 C HETATM 44 N6 UNL 1 -10.164 -1.094 1.591 1.00 0.00 N HETATM 45 C12 UNL 1 -10.376 -2.095 2.482 1.00 0.00 C HETATM 46 N7 UNL 1 -11.269 -1.693 3.404 1.00 0.00 N HETATM 47 C13 UNL 1 -11.646 -0.449 3.135 1.00 0.00 C HETATM 48 C14 UNL 1 -12.528 0.424 3.753 1.00 0.00 C HETATM 49 N8 UNL 1 -13.233 0.030 4.918 1.00 0.00 N HETATM 50 N9 UNL 1 -12.674 1.640 3.199 1.00 0.00 N HETATM 51 C15 UNL 1 -11.982 1.985 2.081 1.00 0.00 C HETATM 52 N10 UNL 1 -11.131 1.131 1.492 1.00 0.00 N HETATM 53 C16 UNL 1 -10.938 -0.085 1.986 1.00 0.00 C HETATM 54 C17 UNL 1 -9.502 -0.229 -0.615 1.00 0.00 C HETATM 55 O22 UNL 1 -10.572 -0.578 -1.425 1.00 0.00 O HETATM 56 C18 UNL 1 -8.176 -0.314 -1.378 1.00 0.00 C HETATM 57 O23 UNL 1 -8.441 -1.018 -2.543 1.00 0.00 O HETATM 58 C19 UNL 1 8.501 -1.788 -1.749 1.00 0.00 C HETATM 59 O24 UNL 1 7.979 -2.813 -2.535 1.00 0.00 O HETATM 60 C20 UNL 1 10.000 -1.658 -1.924 1.00 0.00 C HETATM 61 O25 UNL 1 10.368 -1.991 -3.237 1.00 0.00 O HETATM 62 H1 UNL 1 12.758 2.075 3.991 1.00 0.00 H HETATM 63 H2 UNL 1 12.351 0.397 4.406 1.00 0.00 H HETATM 64 H3 UNL 1 8.041 2.265 2.250 1.00 0.00 H HETATM 65 H4 UNL 1 12.847 -0.891 -0.871 1.00 0.00 H HETATM 66 H5 UNL 1 10.811 0.261 -2.587 1.00 0.00 H HETATM 67 H6 UNL 1 8.153 -0.418 -3.323 1.00 0.00 H HETATM 68 H7 UNL 1 6.387 0.886 -2.161 1.00 0.00 H HETATM 69 H8 UNL 1 6.590 -0.092 -0.694 1.00 0.00 H HETATM 70 H9 UNL 1 3.609 1.166 -2.983 1.00 0.00 H HETATM 71 H10 UNL 1 3.601 -0.228 2.159 1.00 0.00 H HETATM 72 H11 UNL 1 0.235 0.901 1.289 1.00 0.00 H HETATM 73 H12 UNL 1 -1.589 3.429 0.195 1.00 0.00 H HETATM 74 H13 UNL 1 -1.785 -1.504 -1.016 1.00 0.00 H HETATM 75 H14 UNL 1 -3.418 -0.742 0.748 1.00 0.00 H HETATM 76 H15 UNL 1 -5.363 -1.217 0.371 1.00 0.00 H HETATM 77 H16 UNL 1 -5.415 -0.784 -1.364 1.00 0.00 H HETATM 78 H17 UNL 1 -7.350 -2.188 -0.677 1.00 0.00 H HETATM 79 H18 UNL 1 -9.283 -2.233 0.021 1.00 0.00 H HETATM 80 H19 UNL 1 -9.912 -3.074 2.475 1.00 0.00 H HETATM 81 H20 UNL 1 -12.852 0.125 5.871 1.00 0.00 H HETATM 82 H21 UNL 1 -14.183 -0.375 4.800 1.00 0.00 H HETATM 83 H22 UNL 1 -12.156 2.992 1.692 1.00 0.00 H HETATM 84 H23 UNL 1 -9.605 0.809 -0.302 1.00 0.00 H HETATM 85 H24 UNL 1 -11.344 0.008 -1.159 1.00 0.00 H HETATM 86 H25 UNL 1 -7.745 0.678 -1.569 1.00 0.00 H HETATM 87 H26 UNL 1 -9.158 -0.539 -3.034 1.00 0.00 H HETATM 88 H27 UNL 1 8.310 -1.938 -0.676 1.00 0.00 H HETATM 89 H28 UNL 1 7.402 -3.354 -1.941 1.00 0.00 H HETATM 90 H29 UNL 1 10.559 -2.276 -1.191 1.00 0.00 H HETATM 91 H30 UNL 1 9.555 -2.335 -3.701 1.00 0.00 H CONECT 1 2 62 63 CONECT 2 3 3 7 CONECT 3 4 CONECT 4 5 5 64 CONECT 5 6 CONECT 6 7 7 10 CONECT 7 8 CONECT 8 9 9 CONECT 9 10 65 CONECT 10 11 CONECT 11 12 60 66 CONECT 12 13 CONECT 13 14 58 67 CONECT 14 15 68 69 CONECT 15 16 CONECT 16 17 17 18 19 CONECT 18 70 CONECT 19 20 CONECT 20 21 21 22 23 CONECT 22 71 CONECT 23 24 CONECT 24 25 25 26 27 CONECT 26 72 CONECT 27 28 CONECT 28 29 29 30 31 CONECT 30 73 CONECT 31 32 CONECT 32 33 33 34 35 CONECT 34 74 CONECT 35 36 CONECT 36 37 37 38 39 CONECT 38 75 CONECT 39 40 CONECT 40 41 76 77 CONECT 41 42 56 78 CONECT 42 43 CONECT 43 44 54 79 CONECT 44 45 53 CONECT 45 46 46 80 CONECT 46 47 CONECT 47 48 48 53 CONECT 48 49 50 CONECT 49 81 82 CONECT 50 51 51 CONECT 51 52 83 CONECT 52 53 53 CONECT 54 55 56 84 CONECT 55 85 CONECT 56 57 86 CONECT 57 87 CONECT 58 59 60 88 CONECT 59 89 CONECT 60 61 90 CONECT 61 91 END