COMPND HMDB0251906 HETATM 1 C1 UNL 1 -4.947 -3.303 0.665 1.00 0.00 C HETATM 2 C2 UNL 1 -4.230 -2.397 -0.339 1.00 0.00 C HETATM 3 C3 UNL 1 -5.105 -2.046 -1.494 1.00 0.00 C HETATM 4 C4 UNL 1 -3.713 -1.225 0.435 1.00 0.00 C HETATM 5 C5 UNL 1 -4.779 -0.447 1.111 1.00 0.00 C HETATM 6 O1 UNL 1 -5.975 -0.880 1.139 1.00 0.00 O HETATM 7 N1 UNL 1 -4.415 0.784 1.718 1.00 0.00 N HETATM 8 C6 UNL 1 -5.098 1.730 2.539 1.00 0.00 C HETATM 9 C7 UNL 1 -4.358 3.045 2.400 1.00 0.00 C HETATM 10 C8 UNL 1 -2.979 2.656 1.912 1.00 0.00 C HETATM 11 C9 UNL 1 -3.034 1.230 1.472 1.00 0.00 C HETATM 12 C10 UNL 1 -2.854 1.101 -0.030 1.00 0.00 C HETATM 13 O2 UNL 1 -3.906 1.793 -0.631 1.00 0.00 O HETATM 14 O3 UNL 1 -1.626 1.496 -0.460 1.00 0.00 O HETATM 15 C11 UNL 1 -1.119 0.648 -1.406 1.00 0.00 C HETATM 16 N2 UNL 1 0.097 -0.013 -0.972 1.00 0.00 N HETATM 17 C12 UNL 1 0.726 -1.000 -1.758 1.00 0.00 C HETATM 18 O4 UNL 1 0.287 -1.375 -2.877 1.00 0.00 O HETATM 19 C13 UNL 1 1.979 -1.637 -1.241 1.00 0.00 C HETATM 20 C14 UNL 1 2.956 -0.535 -1.026 1.00 0.00 C HETATM 21 C15 UNL 1 3.647 -0.464 0.090 1.00 0.00 C HETATM 22 C16 UNL 1 4.597 0.656 0.235 1.00 0.00 C HETATM 23 C17 UNL 1 4.522 1.822 -0.504 1.00 0.00 C HETATM 24 C18 UNL 1 5.496 2.788 -0.255 1.00 0.00 C HETATM 25 C19 UNL 1 6.501 2.610 0.686 1.00 0.00 C HETATM 26 C20 UNL 1 6.580 1.436 1.434 1.00 0.00 C HETATM 27 N3 UNL 1 7.371 0.918 2.395 1.00 0.00 N HETATM 28 C21 UNL 1 6.874 -0.330 2.708 1.00 0.00 C HETATM 29 C22 UNL 1 5.772 -0.587 1.939 1.00 0.00 C HETATM 30 C23 UNL 1 5.600 0.516 1.152 1.00 0.00 C HETATM 31 C24 UNL 1 4.869 -1.759 1.871 1.00 0.00 C HETATM 32 C25 UNL 1 3.553 -1.422 1.217 1.00 0.00 C HETATM 33 N4 UNL 1 3.014 -2.670 0.668 1.00 0.00 N HETATM 34 C26 UNL 1 3.943 -3.291 -0.232 1.00 0.00 C HETATM 35 C27 UNL 1 1.730 -2.400 0.041 1.00 0.00 C HETATM 36 C28 UNL 1 -0.921 1.395 -2.698 1.00 0.00 C HETATM 37 C29 UNL 1 -2.210 1.963 -3.229 1.00 0.00 C HETATM 38 C30 UNL 1 0.140 2.477 -2.554 1.00 0.00 C HETATM 39 C31 UNL 1 -2.143 -0.432 -1.553 1.00 0.00 C HETATM 40 O5 UNL 1 -2.317 -1.276 -2.460 1.00 0.00 O HETATM 41 N5 UNL 1 -2.937 -0.299 -0.373 1.00 0.00 N HETATM 42 H1 UNL 1 -4.638 -4.370 0.517 1.00 0.00 H HETATM 43 H2 UNL 1 -4.777 -2.975 1.712 1.00 0.00 H HETATM 44 H3 UNL 1 -6.030 -3.277 0.393 1.00 0.00 H HETATM 45 H4 UNL 1 -3.338 -2.976 -0.684 1.00 0.00 H HETATM 46 H5 UNL 1 -6.141 -2.470 -1.345 1.00 0.00 H HETATM 47 H6 UNL 1 -5.231 -0.967 -1.680 1.00 0.00 H HETATM 48 H7 UNL 1 -4.736 -2.577 -2.415 1.00 0.00 H HETATM 49 H8 UNL 1 -3.096 -1.667 1.275 1.00 0.00 H HETATM 50 H9 UNL 1 -6.144 1.934 2.194 1.00 0.00 H HETATM 51 H10 UNL 1 -5.156 1.378 3.584 1.00 0.00 H HETATM 52 H11 UNL 1 -4.343 3.522 3.402 1.00 0.00 H HETATM 53 H12 UNL 1 -4.837 3.743 1.705 1.00 0.00 H HETATM 54 H13 UNL 1 -2.303 2.771 2.809 1.00 0.00 H HETATM 55 H14 UNL 1 -2.579 3.354 1.146 1.00 0.00 H HETATM 56 H15 UNL 1 -2.380 0.553 2.028 1.00 0.00 H HETATM 57 H16 UNL 1 -4.648 1.155 -0.747 1.00 0.00 H HETATM 58 H17 UNL 1 0.511 0.249 -0.059 1.00 0.00 H HETATM 59 H18 UNL 1 2.355 -2.363 -1.995 1.00 0.00 H HETATM 60 H19 UNL 1 3.066 0.183 -1.819 1.00 0.00 H HETATM 61 H20 UNL 1 3.746 1.938 -1.214 1.00 0.00 H HETATM 62 H21 UNL 1 5.476 3.711 -0.807 1.00 0.00 H HETATM 63 H22 UNL 1 7.255 3.365 0.875 1.00 0.00 H HETATM 64 H23 UNL 1 8.182 1.406 2.789 1.00 0.00 H HETATM 65 H24 UNL 1 7.353 -0.934 3.460 1.00 0.00 H HETATM 66 H25 UNL 1 4.638 -2.041 2.920 1.00 0.00 H HETATM 67 H26 UNL 1 5.372 -2.636 1.416 1.00 0.00 H HETATM 68 H27 UNL 1 2.811 -1.058 1.952 1.00 0.00 H HETATM 69 H28 UNL 1 3.429 -3.833 -1.078 1.00 0.00 H HETATM 70 H29 UNL 1 4.550 -4.106 0.263 1.00 0.00 H HETATM 71 H30 UNL 1 4.641 -2.515 -0.637 1.00 0.00 H HETATM 72 H31 UNL 1 1.216 -3.337 -0.175 1.00 0.00 H HETATM 73 H32 UNL 1 1.153 -1.775 0.739 1.00 0.00 H HETATM 74 H33 UNL 1 -0.546 0.693 -3.462 1.00 0.00 H HETATM 75 H34 UNL 1 -3.041 1.257 -3.171 1.00 0.00 H HETATM 76 H35 UNL 1 -2.119 2.243 -4.313 1.00 0.00 H HETATM 77 H36 UNL 1 -2.516 2.900 -2.719 1.00 0.00 H HETATM 78 H37 UNL 1 1.028 2.105 -2.010 1.00 0.00 H HETATM 79 H38 UNL 1 0.484 2.808 -3.555 1.00 0.00 H HETATM 80 H39 UNL 1 -0.253 3.332 -1.942 1.00 0.00 H CONECT 1 2 42 43 44 CONECT 2 3 4 45 CONECT 3 46 47 48 CONECT 4 5 41 49 CONECT 5 6 6 7 CONECT 7 8 11 CONECT 8 9 50 51 CONECT 9 10 52 53 CONECT 10 11 54 55 CONECT 11 12 56 CONECT 12 13 14 41 CONECT 13 57 CONECT 14 15 CONECT 15 16 36 39 CONECT 16 17 58 CONECT 17 18 18 19 CONECT 19 20 35 59 CONECT 20 21 21 60 CONECT 21 22 32 CONECT 22 23 23 30 CONECT 23 24 61 CONECT 24 25 25 62 CONECT 25 26 63 CONECT 26 27 30 30 CONECT 27 28 64 CONECT 28 29 29 65 CONECT 29 30 31 CONECT 31 32 66 67 CONECT 32 33 68 CONECT 33 34 35 CONECT 34 69 70 71 CONECT 35 72 73 CONECT 36 37 38 74 CONECT 37 75 76 77 CONECT 38 78 79 80 CONECT 39 40 40 41 END