COMPND HMDB0006566 HETATM 1 C1 UNL 1 -4.080 -0.904 -5.249 1.00 0.00 C HETATM 2 C2 UNL 1 -3.192 -0.782 -4.081 1.00 0.00 C HETATM 3 O1 UNL 1 -2.696 -1.810 -3.554 1.00 0.00 O HETATM 4 N1 UNL 1 -2.893 0.490 -3.545 1.00 0.00 N HETATM 5 C3 UNL 1 -2.023 0.648 -2.392 1.00 0.00 C HETATM 6 C4 UNL 1 -0.732 1.388 -2.751 1.00 0.00 C HETATM 7 O2 UNL 1 0.059 1.380 -1.648 1.00 0.00 O HETATM 8 C5 UNL 1 1.261 0.738 -1.709 1.00 0.00 C HETATM 9 C6 UNL 1 2.460 1.642 -1.551 1.00 0.00 C HETATM 10 O3 UNL 1 2.738 1.928 -0.217 1.00 0.00 O HETATM 11 C7 UNL 1 3.648 0.879 -2.099 1.00 0.00 C HETATM 12 C8 UNL 1 4.951 1.431 -1.595 1.00 0.00 C HETATM 13 O4 UNL 1 5.088 2.802 -1.839 1.00 0.00 O HETATM 14 O5 UNL 1 3.593 -0.459 -1.822 1.00 0.00 O HETATM 15 C9 UNL 1 2.840 -0.827 -0.746 1.00 0.00 C HETATM 16 O6 UNL 1 3.496 -0.539 0.477 1.00 0.00 O HETATM 17 C10 UNL 1 3.849 -1.658 1.185 1.00 0.00 C HETATM 18 C11 UNL 1 3.212 -1.746 2.539 1.00 0.00 C HETATM 19 C12 UNL 1 2.636 -3.137 2.810 1.00 0.00 C HETATM 20 O7 UNL 1 1.866 -3.572 1.740 1.00 0.00 O HETATM 21 O8 UNL 1 3.978 -1.295 3.582 1.00 0.00 O HETATM 22 C13 UNL 1 5.181 -1.926 3.759 1.00 0.00 C HETATM 23 O9 UNL 1 5.138 -2.959 4.699 1.00 0.00 O HETATM 24 C14 UNL 1 5.827 -2.427 2.510 1.00 0.00 C HETATM 25 O10 UNL 1 7.226 -2.249 2.602 1.00 0.00 O HETATM 26 C15 UNL 1 5.369 -1.597 1.356 1.00 0.00 C HETATM 27 O11 UNL 1 6.006 -1.876 0.164 1.00 0.00 O HETATM 28 C16 UNL 1 1.437 -0.341 -0.672 1.00 0.00 C HETATM 29 O12 UNL 1 0.526 -1.385 -0.858 1.00 0.00 O HETATM 30 O13 UNL 1 -1.067 2.666 -3.192 1.00 0.00 O HETATM 31 C17 UNL 1 -1.790 3.390 -2.288 1.00 0.00 C HETATM 32 C18 UNL 1 -1.087 4.687 -1.890 1.00 0.00 C HETATM 33 O14 UNL 1 -0.870 5.515 -2.976 1.00 0.00 O HETATM 34 C19 UNL 1 -2.143 2.687 -1.018 1.00 0.00 C HETATM 35 O15 UNL 1 -3.165 3.447 -0.405 1.00 0.00 O HETATM 36 C20 UNL 1 -2.723 1.307 -1.241 1.00 0.00 C HETATM 37 O16 UNL 1 -2.534 0.592 -0.045 1.00 0.00 O HETATM 38 C21 UNL 1 -3.774 0.252 0.535 1.00 0.00 C HETATM 39 O17 UNL 1 -3.796 0.830 1.781 1.00 0.00 O HETATM 40 C22 UNL 1 -4.934 0.485 2.473 1.00 0.00 C HETATM 41 C23 UNL 1 -5.138 1.324 3.713 1.00 0.00 C HETATM 42 O18 UNL 1 -4.029 1.127 4.534 1.00 0.00 O HETATM 43 C24 UNL 1 -4.817 -0.993 2.824 1.00 0.00 C HETATM 44 O19 UNL 1 -3.526 -1.235 3.329 1.00 0.00 O HETATM 45 C25 UNL 1 -4.918 -1.758 1.524 1.00 0.00 C HETATM 46 O20 UNL 1 -4.721 -3.117 1.715 1.00 0.00 O HETATM 47 C26 UNL 1 -3.840 -1.255 0.566 1.00 0.00 C HETATM 48 O21 UNL 1 -4.220 -1.710 -0.704 1.00 0.00 O HETATM 49 H1 UNL 1 -4.184 0.083 -5.721 1.00 0.00 H HETATM 50 H2 UNL 1 -5.064 -1.327 -4.930 1.00 0.00 H HETATM 51 H3 UNL 1 -3.695 -1.602 -6.022 1.00 0.00 H HETATM 52 H4 UNL 1 -3.314 1.332 -4.001 1.00 0.00 H HETATM 53 H5 UNL 1 -1.709 -0.365 -2.069 1.00 0.00 H HETATM 54 H6 UNL 1 -0.328 0.854 -3.635 1.00 0.00 H HETATM 55 H7 UNL 1 1.362 0.304 -2.732 1.00 0.00 H HETATM 56 H8 UNL 1 2.259 2.582 -2.095 1.00 0.00 H HETATM 57 H9 UNL 1 3.295 2.743 -0.184 1.00 0.00 H HETATM 58 H10 UNL 1 3.627 1.000 -3.193 1.00 0.00 H HETATM 59 H11 UNL 1 5.820 0.953 -2.097 1.00 0.00 H HETATM 60 H12 UNL 1 5.103 1.259 -0.508 1.00 0.00 H HETATM 61 H13 UNL 1 4.539 3.124 -2.582 1.00 0.00 H HETATM 62 H14 UNL 1 2.798 -1.949 -0.772 1.00 0.00 H HETATM 63 H15 UNL 1 3.534 -2.557 0.608 1.00 0.00 H HETATM 64 H16 UNL 1 2.304 -1.074 2.504 1.00 0.00 H HETATM 65 H17 UNL 1 1.985 -3.130 3.694 1.00 0.00 H HETATM 66 H18 UNL 1 3.420 -3.891 2.977 1.00 0.00 H HETATM 67 H19 UNL 1 1.036 -4.042 2.043 1.00 0.00 H HETATM 68 H20 UNL 1 5.879 -1.157 4.207 1.00 0.00 H HETATM 69 H21 UNL 1 5.829 -3.645 4.529 1.00 0.00 H HETATM 70 H22 UNL 1 5.692 -3.511 2.325 1.00 0.00 H HETATM 71 H23 UNL 1 7.581 -2.472 1.699 1.00 0.00 H HETATM 72 H24 UNL 1 5.570 -0.516 1.616 1.00 0.00 H HETATM 73 H25 UNL 1 6.609 -1.113 -0.105 1.00 0.00 H HETATM 74 H26 UNL 1 1.287 0.128 0.344 1.00 0.00 H HETATM 75 H27 UNL 1 1.015 -2.167 -1.250 1.00 0.00 H HETATM 76 H28 UNL 1 -2.746 3.702 -2.781 1.00 0.00 H HETATM 77 H29 UNL 1 -0.133 4.370 -1.397 1.00 0.00 H HETATM 78 H30 UNL 1 -1.656 5.225 -1.113 1.00 0.00 H HETATM 79 H31 UNL 1 0.064 5.850 -3.033 1.00 0.00 H HETATM 80 H32 UNL 1 -1.312 2.678 -0.276 1.00 0.00 H HETATM 81 H33 UNL 1 -2.972 3.682 0.516 1.00 0.00 H HETATM 82 H34 UNL 1 -3.806 1.414 -1.415 1.00 0.00 H HETATM 83 H35 UNL 1 -4.586 0.654 -0.127 1.00 0.00 H HETATM 84 H36 UNL 1 -5.798 0.568 1.768 1.00 0.00 H HETATM 85 H37 UNL 1 -5.233 2.377 3.372 1.00 0.00 H HETATM 86 H38 UNL 1 -6.082 0.998 4.195 1.00 0.00 H HETATM 87 H39 UNL 1 -4.276 1.300 5.482 1.00 0.00 H HETATM 88 H40 UNL 1 -5.603 -1.343 3.493 1.00 0.00 H HETATM 89 H41 UNL 1 -3.557 -1.833 4.119 1.00 0.00 H HETATM 90 H42 UNL 1 -5.889 -1.581 1.009 1.00 0.00 H HETATM 91 H43 UNL 1 -5.343 -3.607 1.136 1.00 0.00 H HETATM 92 H44 UNL 1 -2.851 -1.676 0.820 1.00 0.00 H HETATM 93 H45 UNL 1 -4.148 -2.700 -0.748 1.00 0.00 H CONECT 1 2 49 50 51 CONECT 2 3 3 4 CONECT 4 5 52 CONECT 5 6 36 53 CONECT 6 7 30 54 CONECT 7 8 CONECT 8 9 28 55 CONECT 9 10 11 56 CONECT 10 57 CONECT 11 12 14 58 CONECT 12 13 59 60 CONECT 13 61 CONECT 14 15 CONECT 15 16 28 62 CONECT 16 17 CONECT 17 18 26 63 CONECT 18 19 21 64 CONECT 19 20 65 66 CONECT 20 67 CONECT 21 22 CONECT 22 23 24 68 CONECT 23 69 CONECT 24 25 26 70 CONECT 25 71 CONECT 26 27 72 CONECT 27 73 CONECT 28 29 74 CONECT 29 75 CONECT 30 31 CONECT 31 32 34 76 CONECT 32 33 77 78 CONECT 33 79 CONECT 34 35 36 80 CONECT 35 81 CONECT 36 37 82 CONECT 37 38 CONECT 38 39 47 83 CONECT 39 40 CONECT 40 41 43 84 CONECT 41 42 85 86 CONECT 42 87 CONECT 43 44 45 88 CONECT 44 89 CONECT 45 46 47 90 CONECT 46 91 CONECT 47 48 92 CONECT 48 93 END