COMPND HMDB0254926 HETATM 1 C1 UNL 1 -8.919 2.007 0.342 1.00 0.00 C HETATM 2 C2 UNL 1 -8.553 2.607 -0.998 1.00 0.00 C HETATM 3 C3 UNL 1 -7.972 1.535 -1.866 1.00 0.00 C HETATM 4 N1 UNL 1 -6.796 0.907 -1.357 1.00 0.00 N HETATM 5 C4 UNL 1 -5.602 1.467 -1.673 1.00 0.00 C HETATM 6 O1 UNL 1 -5.532 2.506 -2.383 1.00 0.00 O HETATM 7 C5 UNL 1 -4.395 0.945 -1.244 1.00 0.00 C HETATM 8 N2 UNL 1 -3.105 1.268 -1.390 1.00 0.00 N HETATM 9 C6 UNL 1 -2.304 0.401 -0.747 1.00 0.00 C HETATM 10 C7 UNL 1 -0.847 0.437 -0.682 1.00 0.00 C HETATM 11 C8 UNL 1 -0.148 -0.526 0.015 1.00 0.00 C HETATM 12 C9 UNL 1 1.228 -0.520 0.101 1.00 0.00 C HETATM 13 C10 UNL 1 1.974 0.469 -0.519 1.00 0.00 C HETATM 14 O2 UNL 1 3.354 0.439 -0.408 1.00 0.00 O HETATM 15 C11 UNL 1 4.195 1.404 -1.005 1.00 0.00 C HETATM 16 C12 UNL 1 5.635 1.097 -0.703 1.00 0.00 C HETATM 17 O3 UNL 1 6.474 1.876 -1.174 1.00 0.00 O HETATM 18 N3 UNL 1 5.947 -0.011 0.063 1.00 0.00 N HETATM 19 C13 UNL 1 7.252 -0.409 0.418 1.00 0.00 C HETATM 20 C14 UNL 1 8.408 0.239 0.075 1.00 0.00 C HETATM 21 C15 UNL 1 9.663 -0.239 0.478 1.00 0.00 C HETATM 22 C16 UNL 1 9.792 -1.378 1.233 1.00 0.00 C HETATM 23 C17 UNL 1 11.101 -1.867 1.647 1.00 0.00 C HETATM 24 C18 UNL 1 12.309 -1.109 1.237 1.00 0.00 C HETATM 25 O4 UNL 1 11.237 -2.911 2.342 1.00 0.00 O HETATM 26 C19 UNL 1 8.634 -2.041 1.585 1.00 0.00 C HETATM 27 C20 UNL 1 7.432 -1.568 1.189 1.00 0.00 C HETATM 28 C21 UNL 1 1.287 1.435 -1.217 1.00 0.00 C HETATM 29 C22 UNL 1 -0.104 1.421 -1.298 1.00 0.00 C HETATM 30 N4 UNL 1 -3.138 -0.490 -0.184 1.00 0.00 N HETATM 31 C23 UNL 1 -4.420 -0.192 -0.465 1.00 0.00 C HETATM 32 N5 UNL 1 -5.613 -0.724 -0.168 1.00 0.00 N HETATM 33 C24 UNL 1 -5.658 -1.908 0.644 1.00 0.00 C HETATM 34 C25 UNL 1 -5.740 -1.597 2.119 1.00 0.00 C HETATM 35 C26 UNL 1 -5.781 -2.908 2.873 1.00 0.00 C HETATM 36 C27 UNL 1 -6.774 -0.202 -0.593 1.00 0.00 C HETATM 37 O5 UNL 1 -7.893 -0.742 -0.288 1.00 0.00 O HETATM 38 H1 UNL 1 -9.706 1.239 0.235 1.00 0.00 H HETATM 39 H2 UNL 1 -8.048 1.701 0.938 1.00 0.00 H HETATM 40 H3 UNL 1 -9.412 2.830 0.942 1.00 0.00 H HETATM 41 H4 UNL 1 -9.535 2.970 -1.424 1.00 0.00 H HETATM 42 H5 UNL 1 -7.932 3.498 -0.912 1.00 0.00 H HETATM 43 H6 UNL 1 -7.731 2.006 -2.855 1.00 0.00 H HETATM 44 H7 UNL 1 -8.711 0.739 -2.097 1.00 0.00 H HETATM 45 H8 UNL 1 -2.776 2.109 -1.949 1.00 0.00 H HETATM 46 H9 UNL 1 -0.745 -1.294 0.494 1.00 0.00 H HETATM 47 H10 UNL 1 1.766 -1.290 0.656 1.00 0.00 H HETATM 48 H11 UNL 1 3.938 2.381 -0.547 1.00 0.00 H HETATM 49 H12 UNL 1 4.008 1.495 -2.085 1.00 0.00 H HETATM 50 H13 UNL 1 5.136 -0.600 0.408 1.00 0.00 H HETATM 51 H14 UNL 1 8.387 1.130 -0.508 1.00 0.00 H HETATM 52 H15 UNL 1 10.535 0.330 0.166 1.00 0.00 H HETATM 53 H16 UNL 1 12.592 -1.386 0.180 1.00 0.00 H HETATM 54 H17 UNL 1 12.203 -0.025 1.262 1.00 0.00 H HETATM 55 H18 UNL 1 13.188 -1.387 1.867 1.00 0.00 H HETATM 56 H19 UNL 1 8.757 -2.942 2.183 1.00 0.00 H HETATM 57 H20 UNL 1 6.535 -2.126 1.491 1.00 0.00 H HETATM 58 H21 UNL 1 1.857 2.209 -1.704 1.00 0.00 H HETATM 59 H22 UNL 1 -0.649 2.180 -1.848 1.00 0.00 H HETATM 60 H23 UNL 1 -6.547 -2.538 0.380 1.00 0.00 H HETATM 61 H24 UNL 1 -4.764 -2.534 0.432 1.00 0.00 H HETATM 62 H25 UNL 1 -4.854 -1.046 2.463 1.00 0.00 H HETATM 63 H26 UNL 1 -6.695 -1.072 2.325 1.00 0.00 H HETATM 64 H27 UNL 1 -6.489 -3.615 2.416 1.00 0.00 H HETATM 65 H28 UNL 1 -6.146 -2.684 3.917 1.00 0.00 H HETATM 66 H29 UNL 1 -4.788 -3.395 2.918 1.00 0.00 H CONECT 1 2 38 39 40 CONECT 2 3 41 42 CONECT 3 4 43 44 CONECT 4 5 36 CONECT 5 6 6 7 CONECT 7 8 31 31 CONECT 8 9 45 CONECT 9 10 30 30 CONECT 10 11 11 29 CONECT 11 12 46 CONECT 12 13 13 47 CONECT 13 14 28 CONECT 14 15 CONECT 15 16 48 49 CONECT 16 17 17 18 CONECT 18 19 50 CONECT 19 20 20 27 CONECT 20 21 51 CONECT 21 22 22 52 CONECT 22 23 26 CONECT 23 24 25 25 CONECT 24 53 54 55 CONECT 26 27 27 56 CONECT 27 57 CONECT 28 29 29 58 CONECT 29 59 CONECT 30 31 CONECT 31 32 CONECT 32 33 36 CONECT 33 34 60 61 CONECT 34 35 62 63 CONECT 35 64 65 66 CONECT 36 37 37 END