COMPND HMDB0006826 HETATM 1 N1 UNL 1 15.505 0.150 -0.785 1.00 0.00 N HETATM 2 C1 UNL 1 14.154 -0.229 -1.030 1.00 0.00 C HETATM 3 N2 UNL 1 13.772 -1.510 -1.183 1.00 0.00 N HETATM 4 C2 UNL 1 12.479 -1.832 -1.400 1.00 0.00 C HETATM 5 O1 UNL 1 12.093 -3.036 -1.548 1.00 0.00 O HETATM 6 C3 UNL 1 11.472 -0.870 -1.474 1.00 0.00 C HETATM 7 C4 UNL 1 11.913 0.435 -1.310 1.00 0.00 C HETATM 8 N3 UNL 1 13.199 0.731 -1.099 1.00 0.00 N HETATM 9 N4 UNL 1 10.876 1.424 -1.388 1.00 0.00 N HETATM 10 C5 UNL 1 9.530 1.108 -0.974 1.00 0.00 C HETATM 11 C6 UNL 1 9.083 -0.166 -1.611 1.00 0.00 C HETATM 12 C7 UNL 1 7.816 -0.705 -0.933 1.00 0.00 C HETATM 13 N5 UNL 1 6.748 0.263 -1.074 1.00 0.00 N HETATM 14 C8 UNL 1 5.592 0.191 -0.271 1.00 0.00 C HETATM 15 C9 UNL 1 5.410 -0.643 0.792 1.00 0.00 C HETATM 16 C10 UNL 1 4.303 -0.697 1.608 1.00 0.00 C HETATM 17 C11 UNL 1 3.263 0.202 1.306 1.00 0.00 C HETATM 18 C12 UNL 1 2.129 0.234 2.175 1.00 0.00 C HETATM 19 O2 UNL 1 2.200 -0.243 3.349 1.00 0.00 O HETATM 20 N6 UNL 1 0.875 0.794 1.791 1.00 0.00 N HETATM 21 C13 UNL 1 -0.227 0.843 2.691 1.00 0.00 C HETATM 22 C14 UNL 1 -1.260 -0.169 2.493 1.00 0.00 C HETATM 23 C15 UNL 1 -2.020 -0.338 1.257 1.00 0.00 C HETATM 24 C16 UNL 1 -2.828 0.795 0.820 1.00 0.00 C HETATM 25 O3 UNL 1 -2.517 2.019 0.912 1.00 0.00 O HETATM 26 N7 UNL 1 -4.120 0.490 0.232 1.00 0.00 N HETATM 27 C17 UNL 1 -4.970 1.544 -0.211 1.00 0.00 C HETATM 28 C18 UNL 1 -6.133 1.015 -0.977 1.00 0.00 C HETATM 29 C19 UNL 1 -6.972 0.081 -0.125 1.00 0.00 C HETATM 30 C20 UNL 1 -8.138 -0.382 -0.898 1.00 0.00 C HETATM 31 O4 UNL 1 -8.287 -0.015 -2.082 1.00 0.00 O HETATM 32 N8 UNL 1 -9.057 -1.231 -0.261 1.00 0.00 N HETATM 33 C21 UNL 1 -10.258 -1.770 -0.884 1.00 0.00 C HETATM 34 C22 UNL 1 -11.439 -1.146 -0.146 1.00 0.00 C HETATM 35 C23 UNL 1 -12.777 -1.582 -0.650 1.00 0.00 C HETATM 36 C24 UNL 1 -13.010 -1.252 -2.063 1.00 0.00 C HETATM 37 O5 UNL 1 -12.532 -1.940 -2.986 1.00 0.00 O HETATM 38 O6 UNL 1 -13.780 -0.144 -2.396 1.00 0.00 O HETATM 39 C25 UNL 1 -10.232 -3.233 -0.740 1.00 0.00 C HETATM 40 O7 UNL 1 -9.271 -3.779 -0.150 1.00 0.00 O HETATM 41 O8 UNL 1 -11.222 -4.088 -1.218 1.00 0.00 O HETATM 42 C26 UNL 1 -5.507 2.294 1.014 1.00 0.00 C HETATM 43 O9 UNL 1 -5.113 1.938 2.134 1.00 0.00 O HETATM 44 O10 UNL 1 -6.395 3.321 0.867 1.00 0.00 O HETATM 45 C27 UNL 1 -0.757 2.186 2.954 1.00 0.00 C HETATM 46 O11 UNL 1 -0.200 3.192 2.403 1.00 0.00 O HETATM 47 O12 UNL 1 -1.859 2.449 3.793 1.00 0.00 O HETATM 48 C28 UNL 1 3.393 1.075 0.228 1.00 0.00 C HETATM 49 C29 UNL 1 4.535 1.063 -0.536 1.00 0.00 C HETATM 50 N9 UNL 1 10.116 -1.148 -1.690 1.00 0.00 N HETATM 51 H1 UNL 1 16.003 -0.163 0.073 1.00 0.00 H HETATM 52 H2 UNL 1 16.026 0.747 -1.456 1.00 0.00 H HETATM 53 H3 UNL 1 13.480 1.734 -0.982 1.00 0.00 H HETATM 54 H4 UNL 1 11.162 2.362 -1.752 1.00 0.00 H HETATM 55 H5 UNL 1 8.858 1.915 -1.329 1.00 0.00 H HETATM 56 H6 UNL 1 9.508 1.011 0.149 1.00 0.00 H HETATM 57 H7 UNL 1 8.753 0.073 -2.671 1.00 0.00 H HETATM 58 H8 UNL 1 8.030 -0.965 0.103 1.00 0.00 H HETATM 59 H9 UNL 1 7.522 -1.641 -1.489 1.00 0.00 H HETATM 60 H10 UNL 1 6.841 1.021 -1.783 1.00 0.00 H HETATM 61 H11 UNL 1 6.243 -1.339 1.001 1.00 0.00 H HETATM 62 H12 UNL 1 4.179 -1.362 2.444 1.00 0.00 H HETATM 63 H13 UNL 1 0.791 1.162 0.824 1.00 0.00 H HETATM 64 H14 UNL 1 0.274 0.501 3.707 1.00 0.00 H HETATM 65 H15 UNL 1 -1.979 -0.053 3.399 1.00 0.00 H HETATM 66 H16 UNL 1 -0.830 -1.221 2.757 1.00 0.00 H HETATM 67 H17 UNL 1 -2.651 -1.283 1.324 1.00 0.00 H HETATM 68 H18 UNL 1 -1.335 -0.573 0.378 1.00 0.00 H HETATM 69 H19 UNL 1 -4.411 -0.532 0.133 1.00 0.00 H HETATM 70 H20 UNL 1 -4.458 2.351 -0.751 1.00 0.00 H HETATM 71 H21 UNL 1 -5.756 0.424 -1.840 1.00 0.00 H HETATM 72 H22 UNL 1 -6.754 1.837 -1.403 1.00 0.00 H HETATM 73 H23 UNL 1 -6.372 -0.850 0.099 1.00 0.00 H HETATM 74 H24 UNL 1 -7.242 0.510 0.861 1.00 0.00 H HETATM 75 H25 UNL 1 -8.881 -1.515 0.753 1.00 0.00 H HETATM 76 H26 UNL 1 -10.386 -1.503 -1.930 1.00 0.00 H HETATM 77 H27 UNL 1 -11.389 -0.052 -0.167 1.00 0.00 H HETATM 78 H28 UNL 1 -11.403 -1.430 0.945 1.00 0.00 H HETATM 79 H29 UNL 1 -13.531 -1.001 -0.034 1.00 0.00 H HETATM 80 H30 UNL 1 -12.907 -2.674 -0.462 1.00 0.00 H HETATM 81 H31 UNL 1 -14.437 0.279 -1.746 1.00 0.00 H HETATM 82 H32 UNL 1 -11.325 -4.348 -2.177 1.00 0.00 H HETATM 83 H33 UNL 1 -6.361 4.204 1.393 1.00 0.00 H HETATM 84 H34 UNL 1 -1.838 3.332 4.276 1.00 0.00 H HETATM 85 H35 UNL 1 2.564 1.739 0.041 1.00 0.00 H HETATM 86 H36 UNL 1 4.567 1.785 -1.358 1.00 0.00 H HETATM 87 H37 UNL 1 9.868 -2.172 -1.928 1.00 0.00 H CONECT 1 2 51 52 CONECT 2 3 3 8 CONECT 3 4 CONECT 4 5 5 6 CONECT 6 7 7 50 CONECT 7 8 9 CONECT 8 53 CONECT 9 10 54 CONECT 10 11 55 56 CONECT 11 12 50 57 CONECT 12 13 58 59 CONECT 13 14 60 CONECT 14 15 15 49 CONECT 15 16 61 CONECT 16 17 17 62 CONECT 17 18 48 CONECT 18 19 19 20 CONECT 20 21 63 CONECT 21 22 45 64 CONECT 22 23 65 66 CONECT 23 24 67 68 CONECT 24 25 25 26 CONECT 26 27 69 CONECT 27 28 42 70 CONECT 28 29 71 72 CONECT 29 30 73 74 CONECT 30 31 31 32 CONECT 32 33 75 CONECT 33 34 39 76 CONECT 34 35 77 78 CONECT 35 36 79 80 CONECT 36 37 37 38 CONECT 38 81 CONECT 39 40 40 41 CONECT 41 82 CONECT 42 43 43 44 CONECT 44 83 CONECT 45 46 46 47 CONECT 47 84 CONECT 48 49 49 85 CONECT 49 86 CONECT 50 87 END