COMPND HMDB0036410 HETATM 1 C1 UNL 1 -4.776 1.107 -2.973 1.00 0.00 C HETATM 2 O1 UNL 1 -5.522 0.321 -2.068 1.00 0.00 O HETATM 3 C2 UNL 1 -4.943 -0.139 -0.908 1.00 0.00 C HETATM 4 C3 UNL 1 -3.634 0.156 -0.602 1.00 0.00 C HETATM 5 C4 UNL 1 -3.033 -0.293 0.551 1.00 0.00 C HETATM 6 C5 UNL 1 -1.646 -0.017 0.964 1.00 0.00 C HETATM 7 O2 UNL 1 -0.994 -1.177 1.380 1.00 0.00 O HETATM 8 C6 UNL 1 0.377 -0.945 1.296 1.00 0.00 C HETATM 9 C7 UNL 1 0.604 0.334 0.559 1.00 0.00 C HETATM 10 C8 UNL 1 1.462 0.248 -0.649 1.00 0.00 C HETATM 11 C9 UNL 1 2.867 -0.100 -0.428 1.00 0.00 C HETATM 12 C10 UNL 1 3.463 -0.240 0.807 1.00 0.00 C HETATM 13 C11 UNL 1 4.789 -0.542 0.940 1.00 0.00 C HETATM 14 O3 UNL 1 5.351 -0.675 2.181 1.00 0.00 O HETATM 15 C12 UNL 1 4.597 -0.507 3.373 1.00 0.00 C HETATM 16 C13 UNL 1 5.575 -0.717 -0.153 1.00 0.00 C HETATM 17 O4 UNL 1 6.923 -1.024 -0.133 1.00 0.00 O HETATM 18 C14 UNL 1 7.957 -0.105 -0.082 1.00 0.00 C HETATM 19 O5 UNL 1 8.690 0.035 -1.259 1.00 0.00 O HETATM 20 C15 UNL 1 9.599 1.082 -1.181 1.00 0.00 C HETATM 21 C16 UNL 1 10.378 1.248 -2.466 1.00 0.00 C HETATM 22 O6 UNL 1 11.287 2.300 -2.381 1.00 0.00 O HETATM 23 C17 UNL 1 10.475 1.067 0.018 1.00 0.00 C HETATM 24 O7 UNL 1 11.798 1.138 -0.422 1.00 0.00 O HETATM 25 C18 UNL 1 10.297 -0.208 0.783 1.00 0.00 C HETATM 26 O8 UNL 1 10.987 -0.114 1.982 1.00 0.00 O HETATM 27 C19 UNL 1 8.821 -0.342 1.109 1.00 0.00 C HETATM 28 O9 UNL 1 8.533 -1.624 1.607 1.00 0.00 O HETATM 29 C20 UNL 1 5.011 -0.585 -1.433 1.00 0.00 C HETATM 30 O10 UNL 1 5.786 -0.755 -2.560 1.00 0.00 O HETATM 31 C21 UNL 1 5.230 -0.619 -3.840 1.00 0.00 C HETATM 32 C22 UNL 1 3.676 -0.282 -1.547 1.00 0.00 C HETATM 33 O11 UNL 1 0.801 -0.595 -1.503 1.00 0.00 O HETATM 34 C23 UNL 1 -0.564 -0.547 -1.237 1.00 0.00 C HETATM 35 C24 UNL 1 -0.779 0.461 -0.145 1.00 0.00 C HETATM 36 C25 UNL 1 -3.817 -1.072 1.411 1.00 0.00 C HETATM 37 C26 UNL 1 -5.132 -1.384 1.133 1.00 0.00 C HETATM 38 O12 UNL 1 -5.881 -2.157 2.006 1.00 0.00 O HETATM 39 C27 UNL 1 -5.296 -2.641 3.213 1.00 0.00 C HETATM 40 C28 UNL 1 -5.694 -0.917 -0.026 1.00 0.00 C HETATM 41 O13 UNL 1 -7.016 -1.188 -0.379 1.00 0.00 O HETATM 42 C29 UNL 1 -8.012 -0.293 0.021 1.00 0.00 C HETATM 43 O14 UNL 1 -8.960 -0.854 0.872 1.00 0.00 O HETATM 44 C30 UNL 1 -9.604 0.217 1.489 1.00 0.00 C HETATM 45 C31 UNL 1 -10.289 -0.152 2.777 1.00 0.00 C HETATM 46 O15 UNL 1 -10.881 1.030 3.261 1.00 0.00 O HETATM 47 C32 UNL 1 -10.558 0.817 0.484 1.00 0.00 C HETATM 48 O16 UNL 1 -10.635 2.195 0.618 1.00 0.00 O HETATM 49 C33 UNL 1 -10.227 0.381 -0.928 1.00 0.00 C HETATM 50 O17 UNL 1 -10.820 -0.861 -1.208 1.00 0.00 O HETATM 51 C34 UNL 1 -8.729 0.328 -1.157 1.00 0.00 C HETATM 52 O18 UNL 1 -8.292 1.630 -1.387 1.00 0.00 O HETATM 53 H1 UNL 1 -4.635 2.111 -2.538 1.00 0.00 H HETATM 54 H2 UNL 1 -5.287 1.180 -3.961 1.00 0.00 H HETATM 55 H3 UNL 1 -3.763 0.678 -3.180 1.00 0.00 H HETATM 56 H4 UNL 1 -3.052 0.758 -1.274 1.00 0.00 H HETATM 57 H5 UNL 1 -1.637 0.761 1.767 1.00 0.00 H HETATM 58 H6 UNL 1 0.827 -1.770 0.734 1.00 0.00 H HETATM 59 H7 UNL 1 0.723 -0.897 2.367 1.00 0.00 H HETATM 60 H8 UNL 1 0.790 1.197 1.208 1.00 0.00 H HETATM 61 H9 UNL 1 1.397 1.275 -1.139 1.00 0.00 H HETATM 62 H10 UNL 1 2.884 -0.110 1.708 1.00 0.00 H HETATM 63 H11 UNL 1 3.759 -1.231 3.310 1.00 0.00 H HETATM 64 H12 UNL 1 4.141 0.517 3.336 1.00 0.00 H HETATM 65 H13 UNL 1 5.217 -0.622 4.267 1.00 0.00 H HETATM 66 H14 UNL 1 7.479 0.906 0.053 1.00 0.00 H HETATM 67 H15 UNL 1 8.954 2.010 -1.116 1.00 0.00 H HETATM 68 H16 UNL 1 10.980 0.334 -2.716 1.00 0.00 H HETATM 69 H17 UNL 1 9.722 1.465 -3.329 1.00 0.00 H HETATM 70 H18 UNL 1 10.966 3.099 -2.885 1.00 0.00 H HETATM 71 H19 UNL 1 10.226 1.903 0.705 1.00 0.00 H HETATM 72 H20 UNL 1 12.334 1.749 0.150 1.00 0.00 H HETATM 73 H21 UNL 1 10.636 -1.107 0.249 1.00 0.00 H HETATM 74 H22 UNL 1 11.935 0.175 1.875 1.00 0.00 H HETATM 75 H23 UNL 1 8.590 0.393 1.899 1.00 0.00 H HETATM 76 H24 UNL 1 7.945 -1.577 2.417 1.00 0.00 H HETATM 77 H25 UNL 1 4.527 0.211 -3.954 1.00 0.00 H HETATM 78 H26 UNL 1 4.783 -1.618 -4.121 1.00 0.00 H HETATM 79 H27 UNL 1 6.122 -0.465 -4.528 1.00 0.00 H HETATM 80 H28 UNL 1 3.219 -0.181 -2.532 1.00 0.00 H HETATM 81 H29 UNL 1 -1.166 -0.395 -2.140 1.00 0.00 H HETATM 82 H30 UNL 1 -0.845 -1.542 -0.815 1.00 0.00 H HETATM 83 H31 UNL 1 -0.933 1.480 -0.488 1.00 0.00 H HETATM 84 H32 UNL 1 -3.392 -1.442 2.318 1.00 0.00 H HETATM 85 H33 UNL 1 -6.020 -3.209 3.816 1.00 0.00 H HETATM 86 H34 UNL 1 -4.422 -3.296 3.015 1.00 0.00 H HETATM 87 H35 UNL 1 -4.948 -1.725 3.767 1.00 0.00 H HETATM 88 H36 UNL 1 -7.571 0.564 0.608 1.00 0.00 H HETATM 89 H37 UNL 1 -8.807 0.983 1.702 1.00 0.00 H HETATM 90 H38 UNL 1 -9.528 -0.483 3.499 1.00 0.00 H HETATM 91 H39 UNL 1 -11.116 -0.862 2.625 1.00 0.00 H HETATM 92 H40 UNL 1 -10.374 1.805 2.914 1.00 0.00 H HETATM 93 H41 UNL 1 -11.566 0.384 0.710 1.00 0.00 H HETATM 94 H42 UNL 1 -9.958 2.655 0.070 1.00 0.00 H HETATM 95 H43 UNL 1 -10.656 1.110 -1.641 1.00 0.00 H HETATM 96 H44 UNL 1 -11.384 -1.094 -0.433 1.00 0.00 H HETATM 97 H45 UNL 1 -8.553 -0.303 -2.073 1.00 0.00 H HETATM 98 H46 UNL 1 -8.141 1.806 -2.354 1.00 0.00 H CONECT 1 2 53 54 55 CONECT 2 3 CONECT 3 4 4 40 CONECT 4 5 56 CONECT 5 6 36 36 CONECT 6 7 35 57 CONECT 7 8 CONECT 8 9 58 59 CONECT 9 10 35 60 CONECT 10 11 33 61 CONECT 11 12 12 32 CONECT 12 13 62 CONECT 13 14 16 16 CONECT 14 15 CONECT 15 63 64 65 CONECT 16 17 29 CONECT 17 18 CONECT 18 19 27 66 CONECT 19 20 CONECT 20 21 23 67 CONECT 21 22 68 69 CONECT 22 70 CONECT 23 24 25 71 CONECT 24 72 CONECT 25 26 27 73 CONECT 26 74 CONECT 27 28 75 CONECT 28 76 CONECT 29 30 32 32 CONECT 30 31 CONECT 31 77 78 79 CONECT 32 80 CONECT 33 34 CONECT 34 35 81 82 CONECT 35 83 CONECT 36 37 84 CONECT 37 38 40 40 CONECT 38 39 CONECT 39 85 86 87 CONECT 40 41 CONECT 41 42 CONECT 42 43 51 88 CONECT 43 44 CONECT 44 45 47 89 CONECT 45 46 90 91 CONECT 46 92 CONECT 47 48 49 93 CONECT 48 94 CONECT 49 50 51 95 CONECT 50 96 CONECT 51 52 97 CONECT 52 98 END