COMPND HMDB0266628 HETATM 1 C1 UNL 1 14.083 -1.006 -0.293 1.00 0.00 C HETATM 2 C2 UNL 1 12.612 -0.576 0.022 1.00 0.00 C HETATM 3 C3 UNL 1 11.924 -1.696 0.712 1.00 0.00 C HETATM 4 C4 UNL 1 10.556 -1.574 1.190 1.00 0.00 C HETATM 5 C5 UNL 1 9.411 -1.359 0.287 1.00 0.00 C HETATM 6 C6 UNL 1 9.288 -0.153 -0.535 1.00 0.00 C HETATM 7 C7 UNL 1 7.999 -0.171 -1.363 1.00 0.00 C HETATM 8 C8 UNL 1 6.794 -0.213 -0.519 1.00 0.00 C HETATM 9 O1 UNL 1 6.398 -1.240 0.119 1.00 0.00 O HETATM 10 O2 UNL 1 6.019 0.908 -0.383 1.00 0.00 O HETATM 11 C9 UNL 1 4.835 1.007 0.407 1.00 0.00 C HETATM 12 C10 UNL 1 3.620 1.214 -0.413 1.00 0.00 C HETATM 13 O3 UNL 1 2.436 1.416 0.245 1.00 0.00 O HETATM 14 C11 UNL 1 1.935 2.502 0.906 1.00 0.00 C HETATM 15 O4 UNL 1 2.677 3.564 0.903 1.00 0.00 O HETATM 16 C12 UNL 1 0.638 2.554 1.612 1.00 0.00 C HETATM 17 C13 UNL 1 -0.268 1.454 1.171 1.00 0.00 C HETATM 18 C14 UNL 1 -0.536 1.577 -0.293 1.00 0.00 C HETATM 19 C15 UNL 1 -1.529 0.574 -0.802 1.00 0.00 C HETATM 20 O5 UNL 1 -1.698 0.763 -2.168 1.00 0.00 O HETATM 21 C16 UNL 1 -1.136 -0.823 -0.481 1.00 0.00 C HETATM 22 O6 UNL 1 0.050 -1.173 -1.113 1.00 0.00 O HETATM 23 C17 UNL 1 -2.167 -1.841 -0.849 1.00 0.00 C HETATM 24 C18 UNL 1 -3.439 -1.603 -1.001 1.00 0.00 C HETATM 25 C19 UNL 1 -4.351 -2.683 -1.363 1.00 0.00 C HETATM 26 C20 UNL 1 -5.667 -2.441 -1.517 1.00 0.00 C HETATM 27 C21 UNL 1 -6.617 -3.471 -1.875 1.00 0.00 C HETATM 28 C22 UNL 1 -7.899 -3.212 -2.015 1.00 0.00 C HETATM 29 C23 UNL 1 -8.398 -1.866 -1.810 1.00 0.00 C HETATM 30 C24 UNL 1 -9.718 -1.625 -1.957 1.00 0.00 C HETATM 31 C25 UNL 1 -10.255 -0.230 -1.747 1.00 0.00 C HETATM 32 O7 UNL 1 -9.793 0.253 -0.524 1.00 0.00 O HETATM 33 C26 UNL 1 -11.746 -0.307 -1.857 1.00 0.00 C HETATM 34 C27 UNL 1 -12.490 0.965 -1.700 1.00 0.00 C HETATM 35 C28 UNL 1 -12.272 1.582 -0.366 1.00 0.00 C HETATM 36 C29 UNL 1 -12.711 0.687 0.776 1.00 0.00 C HETATM 37 C30 UNL 1 -12.435 1.445 2.065 1.00 0.00 C HETATM 38 C31 UNL 1 4.991 1.942 1.549 1.00 0.00 C HETATM 39 O8 UNL 1 6.070 1.512 2.389 1.00 0.00 O HETATM 40 P1 UNL 1 6.159 2.645 3.650 1.00 0.00 P HETATM 41 O9 UNL 1 7.005 3.823 3.174 1.00 0.00 O HETATM 42 O10 UNL 1 4.626 3.201 4.089 1.00 0.00 O HETATM 43 O11 UNL 1 6.926 1.881 4.947 1.00 0.00 O HETATM 44 H1 UNL 1 14.575 -1.277 0.664 1.00 0.00 H HETATM 45 H2 UNL 1 14.579 -0.139 -0.776 1.00 0.00 H HETATM 46 H3 UNL 1 14.061 -1.859 -0.988 1.00 0.00 H HETATM 47 H4 UNL 1 12.651 0.286 0.698 1.00 0.00 H HETATM 48 H5 UNL 1 12.172 -0.385 -0.970 1.00 0.00 H HETATM 49 H6 UNL 1 11.996 -2.641 0.082 1.00 0.00 H HETATM 50 H7 UNL 1 12.596 -1.969 1.597 1.00 0.00 H HETATM 51 H8 UNL 1 10.529 -0.777 2.036 1.00 0.00 H HETATM 52 H9 UNL 1 10.338 -2.542 1.794 1.00 0.00 H HETATM 53 H10 UNL 1 9.349 -2.276 -0.403 1.00 0.00 H HETATM 54 H11 UNL 1 8.477 -1.408 0.937 1.00 0.00 H HETATM 55 H12 UNL 1 10.109 0.042 -1.240 1.00 0.00 H HETATM 56 H13 UNL 1 9.237 0.775 0.110 1.00 0.00 H HETATM 57 H14 UNL 1 8.040 -1.013 -2.083 1.00 0.00 H HETATM 58 H15 UNL 1 7.987 0.771 -1.971 1.00 0.00 H HETATM 59 H16 UNL 1 4.755 -0.060 0.854 1.00 0.00 H HETATM 60 H17 UNL 1 3.869 2.078 -1.117 1.00 0.00 H HETATM 61 H18 UNL 1 3.460 0.311 -1.096 1.00 0.00 H HETATM 62 H19 UNL 1 0.164 3.536 1.311 1.00 0.00 H HETATM 63 H20 UNL 1 0.774 2.584 2.722 1.00 0.00 H HETATM 64 H21 UNL 1 -1.223 1.425 1.759 1.00 0.00 H HETATM 65 H22 UNL 1 0.236 0.495 1.437 1.00 0.00 H HETATM 66 H23 UNL 1 -0.958 2.608 -0.448 1.00 0.00 H HETATM 67 H24 UNL 1 0.400 1.428 -0.854 1.00 0.00 H HETATM 68 H25 UNL 1 -2.545 0.832 -0.363 1.00 0.00 H HETATM 69 H26 UNL 1 -1.275 0.070 -2.727 1.00 0.00 H HETATM 70 H27 UNL 1 -0.927 -0.965 0.619 1.00 0.00 H HETATM 71 H28 UNL 1 -0.169 -1.742 -1.896 1.00 0.00 H HETATM 72 H29 UNL 1 -1.795 -2.869 -0.997 1.00 0.00 H HETATM 73 H30 UNL 1 -3.794 -0.588 -0.855 1.00 0.00 H HETATM 74 H31 UNL 1 -3.981 -3.661 -1.507 1.00 0.00 H HETATM 75 H32 UNL 1 -5.927 -1.412 -1.348 1.00 0.00 H HETATM 76 H33 UNL 1 -6.271 -4.492 -2.033 1.00 0.00 H HETATM 77 H34 UNL 1 -8.609 -3.997 -2.287 1.00 0.00 H HETATM 78 H35 UNL 1 -7.819 -1.016 -1.549 1.00 0.00 H HETATM 79 H36 UNL 1 -10.361 -2.442 -2.225 1.00 0.00 H HETATM 80 H37 UNL 1 -9.876 0.441 -2.537 1.00 0.00 H HETATM 81 H38 UNL 1 -9.734 -0.450 0.165 1.00 0.00 H HETATM 82 H39 UNL 1 -11.954 -0.751 -2.877 1.00 0.00 H HETATM 83 H40 UNL 1 -12.114 -1.101 -1.149 1.00 0.00 H HETATM 84 H41 UNL 1 -13.587 0.717 -1.777 1.00 0.00 H HETATM 85 H42 UNL 1 -12.276 1.666 -2.540 1.00 0.00 H HETATM 86 H43 UNL 1 -11.247 1.948 -0.162 1.00 0.00 H HETATM 87 H44 UNL 1 -12.925 2.514 -0.336 1.00 0.00 H HETATM 88 H45 UNL 1 -12.150 -0.260 0.801 1.00 0.00 H HETATM 89 H46 UNL 1 -13.794 0.479 0.736 1.00 0.00 H HETATM 90 H47 UNL 1 -11.348 1.513 2.179 1.00 0.00 H HETATM 91 H48 UNL 1 -12.781 2.506 1.878 1.00 0.00 H HETATM 92 H49 UNL 1 -12.973 1.035 2.934 1.00 0.00 H HETATM 93 H50 UNL 1 5.186 2.960 1.224 1.00 0.00 H HETATM 94 H51 UNL 1 4.080 1.880 2.175 1.00 0.00 H HETATM 95 H52 UNL 1 4.026 2.431 4.257 1.00 0.00 H HETATM 96 H53 UNL 1 6.836 0.900 4.876 1.00 0.00 H CONECT 1 2 44 45 46 CONECT 2 3 47 48 CONECT 3 4 49 50 CONECT 4 5 51 52 CONECT 5 6 53 54 CONECT 6 7 55 56 CONECT 7 8 57 58 CONECT 8 9 9 10 CONECT 10 11 CONECT 11 12 38 59 CONECT 12 13 60 61 CONECT 13 14 CONECT 14 15 15 16 CONECT 16 17 62 63 CONECT 17 18 64 65 CONECT 18 19 66 67 CONECT 19 20 21 68 CONECT 20 69 CONECT 21 22 23 70 CONECT 22 71 CONECT 23 24 24 72 CONECT 24 25 73 CONECT 25 26 26 74 CONECT 26 27 75 CONECT 27 28 28 76 CONECT 28 29 77 CONECT 29 30 30 78 CONECT 30 31 79 CONECT 31 32 33 80 CONECT 32 81 CONECT 33 34 82 83 CONECT 34 35 84 85 CONECT 35 36 86 87 CONECT 36 37 88 89 CONECT 37 90 91 92 CONECT 38 39 93 94 CONECT 39 40 CONECT 40 41 41 42 43 CONECT 42 95 CONECT 43 96 END