COMPND HMDB0256365 HETATM 1 C1 UNL 1 -6.512 1.671 -3.568 1.00 0.00 C HETATM 2 N1 UNL 1 -5.541 1.183 -2.575 1.00 0.00 N HETATM 3 C2 UNL 1 -5.833 0.605 -1.395 1.00 0.00 C HETATM 4 C3 UNL 1 -4.666 0.275 -0.724 1.00 0.00 C HETATM 5 C4 UNL 1 -4.582 -0.365 0.583 1.00 0.00 C HETATM 6 C5 UNL 1 -4.024 0.226 1.697 1.00 0.00 C HETATM 7 C6 UNL 1 -3.948 -0.388 2.930 1.00 0.00 C HETATM 8 N2 UNL 1 -4.455 -1.636 3.023 1.00 0.00 N HETATM 9 C7 UNL 1 -5.015 -2.266 1.960 1.00 0.00 C HETATM 10 C8 UNL 1 -5.088 -1.647 0.733 1.00 0.00 C HETATM 11 C9 UNL 1 -3.657 0.689 -1.573 1.00 0.00 C HETATM 12 C10 UNL 1 -2.235 0.543 -1.280 1.00 0.00 C HETATM 13 C11 UNL 1 -1.684 -0.693 -1.102 1.00 0.00 C HETATM 14 C12 UNL 1 -0.336 -0.794 -0.825 1.00 0.00 C HETATM 15 C13 UNL 1 0.463 0.350 -0.728 1.00 0.00 C HETATM 16 O1 UNL 1 1.809 0.217 -0.450 1.00 0.00 O HETATM 17 C14 UNL 1 2.425 -1.049 -0.253 1.00 0.00 C HETATM 18 C15 UNL 1 3.882 -0.815 0.026 1.00 0.00 C HETATM 19 C16 UNL 1 4.821 -0.903 -0.976 1.00 0.00 C HETATM 20 C17 UNL 1 6.155 -0.682 -0.701 1.00 0.00 C HETATM 21 C18 UNL 1 6.584 -0.366 0.589 1.00 0.00 C HETATM 22 C19 UNL 1 7.909 -0.139 0.892 1.00 0.00 C HETATM 23 C20 UNL 1 8.294 0.172 2.183 1.00 0.00 C HETATM 24 C21 UNL 1 7.337 0.257 3.178 1.00 0.00 C HETATM 25 C22 UNL 1 6.010 0.028 2.861 1.00 0.00 C HETATM 26 C23 UNL 1 5.611 -0.287 1.563 1.00 0.00 C HETATM 27 N3 UNL 1 4.306 -0.508 1.272 1.00 0.00 N HETATM 28 C24 UNL 1 -0.100 1.593 -0.909 1.00 0.00 C HETATM 29 C25 UNL 1 -1.447 1.670 -1.183 1.00 0.00 C HETATM 30 N4 UNL 1 -4.224 1.216 -2.649 1.00 0.00 N HETATM 31 H1 UNL 1 -6.645 0.953 -4.385 1.00 0.00 H HETATM 32 H2 UNL 1 -6.181 2.678 -3.894 1.00 0.00 H HETATM 33 H3 UNL 1 -7.493 1.826 -3.056 1.00 0.00 H HETATM 34 H4 UNL 1 -6.847 0.430 -1.033 1.00 0.00 H HETATM 35 H5 UNL 1 -3.630 1.219 1.587 1.00 0.00 H HETATM 36 H6 UNL 1 -3.496 0.115 3.797 1.00 0.00 H HETATM 37 H7 UNL 1 -5.398 -3.271 2.129 1.00 0.00 H HETATM 38 H8 UNL 1 -5.537 -2.150 -0.124 1.00 0.00 H HETATM 39 H9 UNL 1 -2.304 -1.580 -1.177 1.00 0.00 H HETATM 40 H10 UNL 1 0.151 -1.736 -0.676 1.00 0.00 H HETATM 41 H11 UNL 1 1.952 -1.507 0.640 1.00 0.00 H HETATM 42 H12 UNL 1 2.323 -1.686 -1.160 1.00 0.00 H HETATM 43 H13 UNL 1 4.521 -1.148 -1.996 1.00 0.00 H HETATM 44 H14 UNL 1 6.931 -0.740 -1.457 1.00 0.00 H HETATM 45 H15 UNL 1 8.646 -0.211 0.095 1.00 0.00 H HETATM 46 H16 UNL 1 9.325 0.356 2.457 1.00 0.00 H HETATM 47 H17 UNL 1 7.611 0.502 4.211 1.00 0.00 H HETATM 48 H18 UNL 1 5.227 0.083 3.608 1.00 0.00 H HETATM 49 H19 UNL 1 0.493 2.479 -0.838 1.00 0.00 H HETATM 50 H20 UNL 1 -1.905 2.660 -1.329 1.00 0.00 H CONECT 1 2 31 32 33 CONECT 2 3 30 CONECT 3 4 4 34 CONECT 4 5 11 CONECT 5 6 6 10 CONECT 6 7 35 CONECT 7 8 8 36 CONECT 8 9 CONECT 9 10 10 37 CONECT 10 38 CONECT 11 12 30 30 CONECT 12 13 13 29 CONECT 13 14 39 CONECT 14 15 15 40 CONECT 15 16 28 CONECT 16 17 CONECT 17 18 41 42 CONECT 18 19 19 27 CONECT 19 20 43 CONECT 20 21 21 44 CONECT 21 22 26 CONECT 22 23 23 45 CONECT 23 24 46 CONECT 24 25 25 47 CONECT 25 26 48 CONECT 26 27 27 CONECT 28 29 29 49 CONECT 29 50 END