COMPND HMDB0254780 HETATM 1 C1 UNL 1 -8.174 0.383 3.601 1.00 0.00 C HETATM 2 O1 UNL 1 -6.789 0.225 3.784 1.00 0.00 O HETATM 3 C2 UNL 1 -5.863 0.359 2.759 1.00 0.00 C HETATM 4 C3 UNL 1 -4.522 0.186 3.028 1.00 0.00 C HETATM 5 C4 UNL 1 -3.576 0.312 2.031 1.00 0.00 C HETATM 6 C5 UNL 1 -3.946 0.614 0.742 1.00 0.00 C HETATM 7 C6 UNL 1 -2.992 0.759 -0.360 1.00 0.00 C HETATM 8 C7 UNL 1 -3.717 0.996 -1.666 1.00 0.00 C HETATM 9 C8 UNL 1 -2.784 1.142 -2.808 1.00 0.00 C HETATM 10 O2 UNL 1 -1.546 1.066 -2.640 1.00 0.00 O HETATM 11 O3 UNL 1 -3.299 1.364 -4.061 1.00 0.00 O HETATM 12 N1 UNL 1 -2.014 -0.291 -0.418 1.00 0.00 N HETATM 13 C9 UNL 1 -2.221 -1.699 -0.677 1.00 0.00 C HETATM 14 C10 UNL 1 -0.979 -2.432 -0.224 1.00 0.00 C HETATM 15 N2 UNL 1 0.025 -1.407 -0.384 1.00 0.00 N HETATM 16 C11 UNL 1 1.423 -1.673 -0.653 1.00 0.00 C HETATM 17 C12 UNL 1 1.724 -1.741 -2.134 1.00 0.00 C HETATM 18 C13 UNL 1 3.205 -2.023 -2.276 1.00 0.00 C HETATM 19 C14 UNL 1 4.024 -0.957 -1.649 1.00 0.00 C HETATM 20 C15 UNL 1 4.459 0.163 -2.318 1.00 0.00 C HETATM 21 C16 UNL 1 5.220 1.106 -1.649 1.00 0.00 C HETATM 22 C17 UNL 1 5.521 0.892 -0.323 1.00 0.00 C HETATM 23 C18 UNL 1 5.077 -0.236 0.329 1.00 0.00 C HETATM 24 N3 UNL 1 4.342 -1.127 -0.351 1.00 0.00 N HETATM 25 N4 UNL 1 5.405 -0.438 1.718 1.00 0.00 N HETATM 26 C19 UNL 1 5.989 0.620 2.517 1.00 0.00 C HETATM 27 C20 UNL 1 5.723 1.962 1.838 1.00 0.00 C HETATM 28 C21 UNL 1 6.332 1.862 0.453 1.00 0.00 C HETATM 29 C22 UNL 1 -0.611 -0.153 -0.231 1.00 0.00 C HETATM 30 O4 UNL 1 -0.005 0.912 0.032 1.00 0.00 O HETATM 31 C23 UNL 1 -5.288 0.784 0.489 1.00 0.00 C HETATM 32 N5 UNL 1 -6.206 0.653 1.494 1.00 0.00 N HETATM 33 H1 UNL 1 -8.409 0.875 2.614 1.00 0.00 H HETATM 34 H2 UNL 1 -8.662 -0.589 3.686 1.00 0.00 H HETATM 35 H3 UNL 1 -8.541 1.035 4.444 1.00 0.00 H HETATM 36 H4 UNL 1 -4.196 -0.053 4.033 1.00 0.00 H HETATM 37 H5 UNL 1 -2.517 0.185 2.200 1.00 0.00 H HETATM 38 H6 UNL 1 -2.454 1.733 -0.145 1.00 0.00 H HETATM 39 H7 UNL 1 -4.406 0.151 -1.827 1.00 0.00 H HETATM 40 H8 UNL 1 -4.273 1.969 -1.562 1.00 0.00 H HETATM 41 H9 UNL 1 -3.022 2.144 -4.655 1.00 0.00 H HETATM 42 H10 UNL 1 -2.389 -1.919 -1.747 1.00 0.00 H HETATM 43 H11 UNL 1 -3.057 -2.110 -0.039 1.00 0.00 H HETATM 44 H12 UNL 1 -1.059 -2.768 0.830 1.00 0.00 H HETATM 45 H13 UNL 1 -0.773 -3.330 -0.838 1.00 0.00 H HETATM 46 H14 UNL 1 1.979 -0.764 -0.277 1.00 0.00 H HETATM 47 H15 UNL 1 1.803 -2.548 -0.106 1.00 0.00 H HETATM 48 H16 UNL 1 1.508 -0.783 -2.643 1.00 0.00 H HETATM 49 H17 UNL 1 1.150 -2.529 -2.659 1.00 0.00 H HETATM 50 H18 UNL 1 3.491 -3.024 -1.929 1.00 0.00 H HETATM 51 H19 UNL 1 3.425 -1.986 -3.375 1.00 0.00 H HETATM 52 H20 UNL 1 4.196 0.288 -3.364 1.00 0.00 H HETATM 53 H21 UNL 1 5.568 2.000 -2.180 1.00 0.00 H HETATM 54 H22 UNL 1 5.212 -1.362 2.130 1.00 0.00 H HETATM 55 H23 UNL 1 7.097 0.474 2.562 1.00 0.00 H HETATM 56 H24 UNL 1 5.541 0.576 3.522 1.00 0.00 H HETATM 57 H25 UNL 1 6.194 2.760 2.445 1.00 0.00 H HETATM 58 H26 UNL 1 4.626 2.099 1.753 1.00 0.00 H HETATM 59 H27 UNL 1 6.387 2.852 -0.042 1.00 0.00 H HETATM 60 H28 UNL 1 7.347 1.419 0.580 1.00 0.00 H HETATM 61 H29 UNL 1 -5.701 1.023 -0.490 1.00 0.00 H CONECT 1 2 33 34 35 CONECT 2 3 CONECT 3 4 4 32 CONECT 4 5 36 CONECT 5 6 6 37 CONECT 6 7 31 CONECT 7 8 12 38 CONECT 8 9 39 40 CONECT 9 10 10 11 CONECT 11 41 CONECT 12 13 29 CONECT 13 14 42 43 CONECT 14 15 44 45 CONECT 15 16 29 CONECT 16 17 46 47 CONECT 17 18 48 49 CONECT 18 19 50 51 CONECT 19 20 20 24 CONECT 20 21 52 CONECT 21 22 22 53 CONECT 22 23 28 CONECT 23 24 24 25 CONECT 25 26 54 CONECT 26 27 55 56 CONECT 27 28 57 58 CONECT 28 59 60 CONECT 29 30 30 CONECT 31 32 32 61 END