COMPND HMDB0011483 HETATM 1 C1 UNL 1 11.933 -1.106 -1.135 1.00 0.00 C HETATM 2 C2 UNL 1 11.463 0.326 -1.098 1.00 0.00 C HETATM 3 C3 UNL 1 10.662 0.647 0.123 1.00 0.00 C HETATM 4 C4 UNL 1 9.422 -0.165 0.289 1.00 0.00 C HETATM 5 C5 UNL 1 8.452 0.005 -0.873 1.00 0.00 C HETATM 6 C6 UNL 1 8.021 1.404 -1.030 1.00 0.00 C HETATM 7 C7 UNL 1 6.758 1.769 -0.930 1.00 0.00 C HETATM 8 C8 UNL 1 5.630 0.841 -0.650 1.00 0.00 C HETATM 9 C9 UNL 1 4.629 0.837 -1.729 1.00 0.00 C HETATM 10 C10 UNL 1 3.383 1.177 -1.491 1.00 0.00 C HETATM 11 C11 UNL 1 2.799 1.590 -0.214 1.00 0.00 C HETATM 12 C12 UNL 1 1.674 0.650 0.228 1.00 0.00 C HETATM 13 C13 UNL 1 2.268 -0.735 0.373 1.00 0.00 C HETATM 14 C14 UNL 1 1.261 -1.748 0.809 1.00 0.00 C HETATM 15 C15 UNL 1 0.105 -1.915 -0.124 1.00 0.00 C HETATM 16 C16 UNL 1 -0.845 -2.960 0.414 1.00 0.00 C HETATM 17 C17 UNL 1 -1.396 -2.603 1.755 1.00 0.00 C HETATM 18 C18 UNL 1 -2.177 -1.309 1.774 1.00 0.00 C HETATM 19 C19 UNL 1 -3.372 -1.405 0.820 1.00 0.00 C HETATM 20 C20 UNL 1 -4.104 -0.122 0.873 1.00 0.00 C HETATM 21 O1 UNL 1 -3.719 0.822 0.150 1.00 0.00 O HETATM 22 O2 UNL 1 -5.192 0.037 1.703 1.00 0.00 O HETATM 23 C21 UNL 1 -5.936 1.255 1.791 1.00 0.00 C HETATM 24 C22 UNL 1 -5.720 1.802 3.188 1.00 0.00 C HETATM 25 O3 UNL 1 -6.141 0.952 4.180 1.00 0.00 O HETATM 26 C23 UNL 1 -7.371 0.911 1.538 1.00 0.00 C HETATM 27 O4 UNL 1 -7.578 0.347 0.302 1.00 0.00 O HETATM 28 P1 UNL 1 -9.172 -0.048 0.004 1.00 0.00 P HETATM 29 O5 UNL 1 -10.027 0.244 1.226 1.00 0.00 O HETATM 30 O6 UNL 1 -9.348 -1.683 -0.454 1.00 0.00 O HETATM 31 O7 UNL 1 -9.733 0.889 -1.287 1.00 0.00 O HETATM 32 C24 UNL 1 -10.979 0.331 -1.649 1.00 0.00 C HETATM 33 C25 UNL 1 -11.503 1.153 -2.807 1.00 0.00 C HETATM 34 N1 UNL 1 -10.557 1.067 -3.885 1.00 0.00 N HETATM 35 H1 UNL 1 12.802 -1.137 -1.824 1.00 0.00 H HETATM 36 H2 UNL 1 12.328 -1.401 -0.137 1.00 0.00 H HETATM 37 H3 UNL 1 11.179 -1.799 -1.524 1.00 0.00 H HETATM 38 H4 UNL 1 12.393 0.953 -1.044 1.00 0.00 H HETATM 39 H5 UNL 1 10.981 0.582 -2.041 1.00 0.00 H HETATM 40 H6 UNL 1 11.278 0.528 1.022 1.00 0.00 H HETATM 41 H7 UNL 1 10.380 1.722 0.062 1.00 0.00 H HETATM 42 H8 UNL 1 9.674 -1.245 0.359 1.00 0.00 H HETATM 43 H9 UNL 1 8.964 0.103 1.257 1.00 0.00 H HETATM 44 H10 UNL 1 9.118 -0.201 -1.785 1.00 0.00 H HETATM 45 H11 UNL 1 7.699 -0.764 -0.930 1.00 0.00 H HETATM 46 H12 UNL 1 8.743 2.213 -1.241 1.00 0.00 H HETATM 47 H13 UNL 1 6.495 2.818 -1.056 1.00 0.00 H HETATM 48 H14 UNL 1 5.167 1.187 0.287 1.00 0.00 H HETATM 49 H15 UNL 1 5.931 -0.215 -0.503 1.00 0.00 H HETATM 50 H16 UNL 1 4.947 0.548 -2.720 1.00 0.00 H HETATM 51 H17 UNL 1 2.722 1.135 -2.380 1.00 0.00 H HETATM 52 H18 UNL 1 2.326 2.614 -0.399 1.00 0.00 H HETATM 53 H19 UNL 1 3.442 1.730 0.628 1.00 0.00 H HETATM 54 H20 UNL 1 1.291 1.026 1.198 1.00 0.00 H HETATM 55 H21 UNL 1 0.880 0.721 -0.512 1.00 0.00 H HETATM 56 H22 UNL 1 2.816 -1.044 -0.523 1.00 0.00 H HETATM 57 H23 UNL 1 3.029 -0.660 1.191 1.00 0.00 H HETATM 58 H24 UNL 1 0.970 -1.542 1.860 1.00 0.00 H HETATM 59 H25 UNL 1 1.794 -2.737 0.846 1.00 0.00 H HETATM 60 H26 UNL 1 0.488 -2.256 -1.091 1.00 0.00 H HETATM 61 H27 UNL 1 -0.465 -0.992 -0.297 1.00 0.00 H HETATM 62 H28 UNL 1 -1.670 -3.083 -0.320 1.00 0.00 H HETATM 63 H29 UNL 1 -0.357 -3.950 0.502 1.00 0.00 H HETATM 64 H30 UNL 1 -2.131 -3.403 2.031 1.00 0.00 H HETATM 65 H31 UNL 1 -0.617 -2.624 2.529 1.00 0.00 H HETATM 66 H32 UNL 1 -1.596 -0.433 1.488 1.00 0.00 H HETATM 67 H33 UNL 1 -2.522 -1.159 2.817 1.00 0.00 H HETATM 68 H34 UNL 1 -3.026 -1.565 -0.214 1.00 0.00 H HETATM 69 H35 UNL 1 -4.025 -2.270 1.084 1.00 0.00 H HETATM 70 H36 UNL 1 -5.522 2.020 1.106 1.00 0.00 H HETATM 71 H37 UNL 1 -4.655 2.041 3.369 1.00 0.00 H HETATM 72 H38 UNL 1 -6.268 2.768 3.241 1.00 0.00 H HETATM 73 H39 UNL 1 -7.014 1.275 4.519 1.00 0.00 H HETATM 74 H40 UNL 1 -7.804 0.340 2.366 1.00 0.00 H HETATM 75 H41 UNL 1 -7.933 1.892 1.531 1.00 0.00 H HETATM 76 H42 UNL 1 -8.469 -2.152 -0.397 1.00 0.00 H HETATM 77 H43 UNL 1 -10.879 -0.730 -1.914 1.00 0.00 H HETATM 78 H44 UNL 1 -11.623 0.406 -0.747 1.00 0.00 H HETATM 79 H45 UNL 1 -11.651 2.203 -2.517 1.00 0.00 H HETATM 80 H46 UNL 1 -12.496 0.716 -3.078 1.00 0.00 H HETATM 81 H47 UNL 1 -11.021 0.593 -4.681 1.00 0.00 H HETATM 82 H48 UNL 1 -9.681 0.538 -3.599 1.00 0.00 H CONECT 1 2 35 36 37 CONECT 2 3 38 39 CONECT 3 4 40 41 CONECT 4 5 42 43 CONECT 5 6 44 45 CONECT 6 7 7 46 CONECT 7 8 47 CONECT 8 9 48 49 CONECT 9 10 10 50 CONECT 10 11 51 CONECT 11 12 52 53 CONECT 12 13 54 55 CONECT 13 14 56 57 CONECT 14 15 58 59 CONECT 15 16 60 61 CONECT 16 17 62 63 CONECT 17 18 64 65 CONECT 18 19 66 67 CONECT 19 20 68 69 CONECT 20 21 21 22 CONECT 22 23 CONECT 23 24 26 70 CONECT 24 25 71 72 CONECT 25 73 CONECT 26 27 74 75 CONECT 27 28 CONECT 28 29 29 30 31 CONECT 30 76 CONECT 31 32 CONECT 32 33 77 78 CONECT 33 34 79 80 CONECT 34 81 82 END