COMPND HMDB0242389 HETATM 1 C1 UNL 1 1.525 -0.827 -2.834 1.00 0.00 C HETATM 2 C2 UNL 1 1.544 -0.706 -1.340 1.00 0.00 C HETATM 3 C3 UNL 1 2.874 -1.151 -0.801 1.00 0.00 C HETATM 4 C4 UNL 1 4.040 -0.363 -1.290 1.00 0.00 C HETATM 5 C5 UNL 1 5.323 -0.852 -0.706 1.00 0.00 C HETATM 6 O1 UNL 1 5.284 -1.825 0.100 1.00 0.00 O HETATM 7 N1 UNL 1 6.572 -0.266 -1.021 1.00 0.00 N HETATM 8 C6 UNL 1 7.819 -0.727 -0.463 1.00 0.00 C HETATM 9 C7 UNL 1 8.450 0.464 0.248 1.00 0.00 C HETATM 10 C8 UNL 1 7.510 0.917 1.303 1.00 0.00 C HETATM 11 C9 UNL 1 7.457 0.504 2.595 1.00 0.00 C HETATM 12 N2 UNL 1 6.467 1.160 3.196 1.00 0.00 N HETATM 13 C10 UNL 1 5.912 1.972 2.287 1.00 0.00 C HETATM 14 N3 UNL 1 6.544 1.837 1.108 1.00 0.00 N HETATM 15 C11 UNL 1 8.692 -1.203 -1.558 1.00 0.00 C HETATM 16 O2 UNL 1 8.295 -1.156 -2.741 1.00 0.00 O HETATM 17 O3 UNL 1 9.944 -1.697 -1.267 1.00 0.00 O HETATM 18 C12 UNL 1 0.397 -1.440 -0.692 1.00 0.00 C HETATM 19 C13 UNL 1 0.469 -1.313 0.825 1.00 0.00 C HETATM 20 C14 UNL 1 -0.963 -1.308 1.302 1.00 0.00 C HETATM 21 C15 UNL 1 -1.795 -1.593 0.099 1.00 0.00 C HETATM 22 C16 UNL 1 -3.186 -1.048 0.179 1.00 0.00 C HETATM 23 C17 UNL 1 -3.796 -1.570 1.487 1.00 0.00 C HETATM 24 O4 UNL 1 -3.315 -0.807 2.548 1.00 0.00 O HETATM 25 C18 UNL 1 -5.278 -1.273 1.366 1.00 0.00 C HETATM 26 C19 UNL 1 -5.404 0.250 1.367 1.00 0.00 C HETATM 27 C20 UNL 1 -6.862 0.632 1.427 1.00 0.00 C HETATM 28 C21 UNL 1 -7.122 2.012 0.886 1.00 0.00 C HETATM 29 O5 UNL 1 -8.165 2.569 1.632 1.00 0.00 O HETATM 30 C22 UNL 1 -5.936 2.926 1.037 1.00 0.00 C HETATM 31 C23 UNL 1 -4.676 2.387 0.466 1.00 0.00 C HETATM 32 C24 UNL 1 -4.669 0.892 0.236 1.00 0.00 C HETATM 33 C25 UNL 1 -5.308 0.633 -1.107 1.00 0.00 C HETATM 34 C26 UNL 1 -3.248 0.440 0.230 1.00 0.00 C HETATM 35 C27 UNL 1 -2.448 1.099 -0.868 1.00 0.00 C HETATM 36 C28 UNL 1 -1.048 0.573 -0.937 1.00 0.00 C HETATM 37 O6 UNL 1 -0.354 1.113 0.146 1.00 0.00 O HETATM 38 C29 UNL 1 -0.959 -0.931 -1.005 1.00 0.00 C HETATM 39 C30 UNL 1 -1.505 -1.356 -2.351 1.00 0.00 C HETATM 40 H1 UNL 1 0.909 -1.708 -3.113 1.00 0.00 H HETATM 41 H2 UNL 1 1.065 0.057 -3.335 1.00 0.00 H HETATM 42 H3 UNL 1 2.530 -1.047 -3.268 1.00 0.00 H HETATM 43 H4 UNL 1 1.461 0.405 -1.138 1.00 0.00 H HETATM 44 H5 UNL 1 3.079 -2.228 -1.051 1.00 0.00 H HETATM 45 H6 UNL 1 2.815 -1.028 0.319 1.00 0.00 H HETATM 46 H7 UNL 1 4.136 -0.266 -2.375 1.00 0.00 H HETATM 47 H8 UNL 1 3.954 0.702 -0.916 1.00 0.00 H HETATM 48 H9 UNL 1 6.592 0.529 -1.684 1.00 0.00 H HETATM 49 H10 UNL 1 7.598 -1.547 0.238 1.00 0.00 H HETATM 50 H11 UNL 1 9.440 0.198 0.678 1.00 0.00 H HETATM 51 H12 UNL 1 8.603 1.306 -0.452 1.00 0.00 H HETATM 52 H13 UNL 1 8.141 -0.247 3.015 1.00 0.00 H HETATM 53 H14 UNL 1 6.196 1.041 4.199 1.00 0.00 H HETATM 54 H15 UNL 1 5.072 2.640 2.486 1.00 0.00 H HETATM 55 H16 UNL 1 10.452 -2.273 -1.916 1.00 0.00 H HETATM 56 H17 UNL 1 0.459 -2.515 -0.933 1.00 0.00 H HETATM 57 H18 UNL 1 1.005 -2.219 1.231 1.00 0.00 H HETATM 58 H19 UNL 1 1.052 -0.452 1.159 1.00 0.00 H HETATM 59 H20 UNL 1 -1.100 -2.152 2.034 1.00 0.00 H HETATM 60 H21 UNL 1 -1.165 -0.337 1.786 1.00 0.00 H HETATM 61 H22 UNL 1 -1.830 -2.659 -0.122 1.00 0.00 H HETATM 62 H23 UNL 1 -3.789 -1.502 -0.623 1.00 0.00 H HETATM 63 H24 UNL 1 -3.594 -2.649 1.599 1.00 0.00 H HETATM 64 H25 UNL 1 -3.844 -0.882 3.358 1.00 0.00 H HETATM 65 H26 UNL 1 -5.868 -1.658 2.202 1.00 0.00 H HETATM 66 H27 UNL 1 -5.613 -1.626 0.367 1.00 0.00 H HETATM 67 H28 UNL 1 -4.936 0.597 2.311 1.00 0.00 H HETATM 68 H29 UNL 1 -7.426 -0.117 0.822 1.00 0.00 H HETATM 69 H30 UNL 1 -7.245 0.559 2.465 1.00 0.00 H HETATM 70 H31 UNL 1 -7.494 1.942 -0.158 1.00 0.00 H HETATM 71 H32 UNL 1 -8.706 3.167 1.072 1.00 0.00 H HETATM 72 H33 UNL 1 -5.826 3.113 2.137 1.00 0.00 H HETATM 73 H34 UNL 1 -6.198 3.898 0.568 1.00 0.00 H HETATM 74 H35 UNL 1 -4.444 2.896 -0.485 1.00 0.00 H HETATM 75 H36 UNL 1 -3.829 2.647 1.164 1.00 0.00 H HETATM 76 H37 UNL 1 -6.265 0.047 -1.002 1.00 0.00 H HETATM 77 H38 UNL 1 -5.488 1.579 -1.663 1.00 0.00 H HETATM 78 H39 UNL 1 -4.671 0.008 -1.775 1.00 0.00 H HETATM 79 H40 UNL 1 -2.783 0.767 1.195 1.00 0.00 H HETATM 80 H41 UNL 1 -2.370 2.182 -0.585 1.00 0.00 H HETATM 81 H42 UNL 1 -2.918 1.056 -1.851 1.00 0.00 H HETATM 82 H43 UNL 1 -0.583 0.981 -1.858 1.00 0.00 H HETATM 83 H44 UNL 1 -0.539 2.077 0.148 1.00 0.00 H HETATM 84 H45 UNL 1 -1.288 -2.407 -2.608 1.00 0.00 H HETATM 85 H46 UNL 1 -1.202 -0.620 -3.101 1.00 0.00 H HETATM 86 H47 UNL 1 -2.625 -1.226 -2.264 1.00 0.00 H CONECT 1 2 40 41 42 CONECT 2 3 18 43 CONECT 3 4 44 45 CONECT 4 5 46 47 CONECT 5 6 6 7 CONECT 7 8 48 CONECT 8 9 15 49 CONECT 9 10 50 51 CONECT 10 11 11 14 CONECT 11 12 52 CONECT 12 13 53 CONECT 13 14 14 54 CONECT 15 16 16 17 CONECT 17 55 CONECT 18 19 38 56 CONECT 19 20 57 58 CONECT 20 21 59 60 CONECT 21 22 38 61 CONECT 22 23 34 62 CONECT 23 24 25 63 CONECT 24 64 CONECT 25 26 65 66 CONECT 26 27 32 67 CONECT 27 28 68 69 CONECT 28 29 30 70 CONECT 29 71 CONECT 30 31 72 73 CONECT 31 32 74 75 CONECT 32 33 34 CONECT 33 76 77 78 CONECT 34 35 79 CONECT 35 36 80 81 CONECT 36 37 38 82 CONECT 37 83 CONECT 38 39 CONECT 39 84 85 86 END