COMPND HMDB0251587 HETATM 1 C1 UNL 1 -9.189 -0.372 3.037 1.00 0.00 C HETATM 2 C2 UNL 1 -8.059 0.139 2.215 1.00 0.00 C HETATM 3 C3 UNL 1 -7.826 1.485 2.049 1.00 0.00 C HETATM 4 C4 UNL 1 -6.738 1.925 1.249 1.00 0.00 C HETATM 5 C5 UNL 1 -5.923 1.041 0.646 1.00 0.00 C HETATM 6 N1 UNL 1 -4.802 1.398 -0.194 1.00 0.00 N HETATM 7 N2 UNL 1 -4.920 1.668 -1.481 1.00 0.00 N HETATM 8 C6 UNL 1 -3.703 1.895 -2.037 1.00 0.00 C HETATM 9 C7 UNL 1 -3.464 2.255 -3.483 1.00 0.00 C HETATM 10 C8 UNL 1 -3.986 3.666 -3.691 1.00 0.00 C HETATM 11 C9 UNL 1 -4.267 1.276 -4.351 1.00 0.00 C HETATM 12 C10 UNL 1 -2.021 2.252 -3.834 1.00 0.00 C HETATM 13 C11 UNL 1 -2.795 1.752 -1.016 1.00 0.00 C HETATM 14 C12 UNL 1 -3.523 1.439 0.139 1.00 0.00 C HETATM 15 N3 UNL 1 -2.939 1.406 1.450 1.00 0.00 N HETATM 16 C13 UNL 1 -1.611 0.978 1.692 1.00 0.00 C HETATM 17 O1 UNL 1 -1.057 1.247 2.784 1.00 0.00 O HETATM 18 N4 UNL 1 -0.926 0.224 0.695 1.00 0.00 N HETATM 19 C14 UNL 1 0.401 -0.222 0.847 1.00 0.00 C HETATM 20 C15 UNL 1 1.356 0.370 1.621 1.00 0.00 C HETATM 21 C16 UNL 1 2.661 -0.066 1.628 1.00 0.00 C HETATM 22 C17 UNL 1 3.074 -1.128 0.853 1.00 0.00 C HETATM 23 O2 UNL 1 4.404 -1.571 0.864 1.00 0.00 O HETATM 24 C18 UNL 1 5.361 -0.914 1.659 1.00 0.00 C HETATM 25 C19 UNL 1 6.715 -1.587 1.554 1.00 0.00 C HETATM 26 N5 UNL 1 7.235 -1.658 0.227 1.00 0.00 N HETATM 27 C20 UNL 1 7.604 -0.441 -0.396 1.00 0.00 C HETATM 28 C21 UNL 1 8.690 0.264 0.330 1.00 0.00 C HETATM 29 O3 UNL 1 9.368 -0.516 1.193 1.00 0.00 O HETATM 30 C22 UNL 1 9.568 -1.834 0.922 1.00 0.00 C HETATM 31 C23 UNL 1 8.401 -2.538 0.268 1.00 0.00 C HETATM 32 C24 UNL 1 2.120 -1.737 0.070 1.00 0.00 C HETATM 33 C25 UNL 1 2.516 -2.814 -0.697 1.00 0.00 C HETATM 34 C26 UNL 1 1.652 -3.507 -1.503 1.00 0.00 C HETATM 35 C27 UNL 1 0.326 -3.083 -1.523 1.00 0.00 C HETATM 36 C28 UNL 1 -0.085 -1.993 -0.749 1.00 0.00 C HETATM 37 C29 UNL 1 0.800 -1.311 0.048 1.00 0.00 C HETATM 38 C30 UNL 1 -6.157 -0.323 0.817 1.00 0.00 C HETATM 39 C31 UNL 1 -7.224 -0.761 1.601 1.00 0.00 C HETATM 40 H1 UNL 1 -9.799 -1.057 2.420 1.00 0.00 H HETATM 41 H2 UNL 1 -9.803 0.420 3.485 1.00 0.00 H HETATM 42 H3 UNL 1 -8.753 -0.959 3.900 1.00 0.00 H HETATM 43 H4 UNL 1 -8.451 2.232 2.517 1.00 0.00 H HETATM 44 H5 UNL 1 -6.604 2.984 1.155 1.00 0.00 H HETATM 45 H6 UNL 1 -4.925 3.597 -4.276 1.00 0.00 H HETATM 46 H7 UNL 1 -3.244 4.293 -4.269 1.00 0.00 H HETATM 47 H8 UNL 1 -4.207 4.215 -2.769 1.00 0.00 H HETATM 48 H9 UNL 1 -4.943 1.873 -5.036 1.00 0.00 H HETATM 49 H10 UNL 1 -3.578 0.630 -4.944 1.00 0.00 H HETATM 50 H11 UNL 1 -4.881 0.601 -3.728 1.00 0.00 H HETATM 51 H12 UNL 1 -1.713 1.233 -4.134 1.00 0.00 H HETATM 52 H13 UNL 1 -1.760 3.000 -4.622 1.00 0.00 H HETATM 53 H14 UNL 1 -1.403 2.529 -2.963 1.00 0.00 H HETATM 54 H15 UNL 1 -1.731 1.895 -1.122 1.00 0.00 H HETATM 55 H16 UNL 1 -3.449 1.907 2.220 1.00 0.00 H HETATM 56 H17 UNL 1 -1.431 -0.025 -0.174 1.00 0.00 H HETATM 57 H18 UNL 1 1.089 1.203 2.237 1.00 0.00 H HETATM 58 H19 UNL 1 3.434 0.405 2.249 1.00 0.00 H HETATM 59 H20 UNL 1 5.451 0.163 1.405 1.00 0.00 H HETATM 60 H21 UNL 1 5.022 -0.956 2.707 1.00 0.00 H HETATM 61 H22 UNL 1 6.579 -2.630 1.927 1.00 0.00 H HETATM 62 H23 UNL 1 7.370 -1.079 2.290 1.00 0.00 H HETATM 63 H24 UNL 1 7.981 -0.711 -1.426 1.00 0.00 H HETATM 64 H25 UNL 1 6.726 0.225 -0.609 1.00 0.00 H HETATM 65 H26 UNL 1 9.423 0.669 -0.436 1.00 0.00 H HETATM 66 H27 UNL 1 8.320 1.223 0.816 1.00 0.00 H HETATM 67 H28 UNL 1 9.885 -2.395 1.861 1.00 0.00 H HETATM 68 H29 UNL 1 10.448 -1.957 0.256 1.00 0.00 H HETATM 69 H30 UNL 1 8.658 -2.782 -0.765 1.00 0.00 H HETATM 70 H31 UNL 1 8.185 -3.457 0.854 1.00 0.00 H HETATM 71 H32 UNL 1 3.570 -3.106 -0.638 1.00 0.00 H HETATM 72 H33 UNL 1 1.941 -4.349 -2.109 1.00 0.00 H HETATM 73 H34 UNL 1 -0.416 -3.563 -2.129 1.00 0.00 H HETATM 74 H35 UNL 1 -1.136 -1.715 -0.786 1.00 0.00 H HETATM 75 H36 UNL 1 -5.491 -1.019 0.331 1.00 0.00 H HETATM 76 H37 UNL 1 -7.404 -1.841 1.730 1.00 0.00 H CONECT 1 2 40 41 42 CONECT 2 3 3 39 CONECT 3 4 43 CONECT 4 5 5 44 CONECT 5 6 38 CONECT 6 7 14 CONECT 7 8 8 CONECT 8 9 13 CONECT 9 10 11 12 CONECT 10 45 46 47 CONECT 11 48 49 50 CONECT 12 51 52 53 CONECT 13 14 14 54 CONECT 14 15 CONECT 15 16 55 CONECT 16 17 17 18 CONECT 18 19 56 CONECT 19 20 20 37 CONECT 20 21 57 CONECT 21 22 22 58 CONECT 22 23 32 CONECT 23 24 CONECT 24 25 59 60 CONECT 25 26 61 62 CONECT 26 27 31 CONECT 27 28 63 64 CONECT 28 29 65 66 CONECT 29 30 CONECT 30 31 67 68 CONECT 31 69 70 CONECT 32 33 33 37 CONECT 33 34 71 CONECT 34 35 35 72 CONECT 35 36 73 CONECT 36 37 37 74 CONECT 38 39 39 75 CONECT 39 76 END