COMPND HMDB0247649 HETATM 1 C1 UNL 1 -3.058 -5.187 -2.181 1.00 0.00 C HETATM 2 N1 UNL 1 -2.269 -4.066 -1.680 1.00 0.00 N HETATM 3 C2 UNL 1 -2.611 -2.805 -1.538 1.00 0.00 C HETATM 4 O1 UNL 1 -3.712 -2.313 -1.822 1.00 0.00 O HETATM 5 N2 UNL 1 -1.551 -2.067 -1.010 1.00 0.00 N HETATM 6 C3 UNL 1 -1.781 -0.724 -0.615 1.00 0.00 C HETATM 7 C4 UNL 1 -1.674 0.438 -1.299 1.00 0.00 C HETATM 8 C5 UNL 1 -2.176 1.667 -0.817 1.00 0.00 C HETATM 9 C6 UNL 1 -2.797 1.737 0.392 1.00 0.00 C HETATM 10 C7 UNL 1 -3.469 2.943 0.950 1.00 0.00 C HETATM 11 C8 UNL 1 -3.553 4.073 -0.040 1.00 0.00 C HETATM 12 C9 UNL 1 -4.937 2.580 1.283 1.00 0.00 C HETATM 13 C10 UNL 1 -2.789 3.338 2.182 1.00 0.00 C HETATM 14 N3 UNL 1 -2.271 3.647 3.159 1.00 0.00 N HETATM 15 C11 UNL 1 -2.910 0.552 1.123 1.00 0.00 C HETATM 16 C12 UNL 1 -2.432 -0.635 0.660 1.00 0.00 C HETATM 17 C13 UNL 1 -0.586 -2.915 -0.858 1.00 0.00 C HETATM 18 C14 UNL 1 0.717 -2.765 -0.376 1.00 0.00 C HETATM 19 C15 UNL 1 1.186 -1.484 -0.037 1.00 0.00 C HETATM 20 C16 UNL 1 2.493 -1.409 0.353 1.00 0.00 C HETATM 21 C17 UNL 1 3.198 -0.157 0.656 1.00 0.00 C HETATM 22 C18 UNL 1 4.189 -0.166 1.631 1.00 0.00 C HETATM 23 N4 UNL 1 4.973 0.904 1.884 1.00 0.00 N HETATM 24 C19 UNL 1 4.842 2.083 1.200 1.00 0.00 C HETATM 25 C20 UNL 1 5.666 3.133 1.490 1.00 0.00 C HETATM 26 C21 UNL 1 5.545 4.333 0.792 1.00 0.00 C HETATM 27 C22 UNL 1 4.575 4.403 -0.185 1.00 0.00 C HETATM 28 C23 UNL 1 3.746 3.313 -0.460 1.00 0.00 C HETATM 29 C24 UNL 1 3.859 2.123 0.225 1.00 0.00 C HETATM 30 C25 UNL 1 3.054 1.014 -0.035 1.00 0.00 C HETATM 31 C26 UNL 1 3.312 -2.557 0.417 1.00 0.00 C HETATM 32 C27 UNL 1 2.823 -3.769 0.089 1.00 0.00 C HETATM 33 C28 UNL 1 1.508 -3.885 -0.319 1.00 0.00 C HETATM 34 N5 UNL 1 1.069 -5.100 -0.715 1.00 0.00 N HETATM 35 C29 UNL 1 -0.171 -5.262 -1.185 1.00 0.00 C HETATM 36 C30 UNL 1 -1.008 -4.184 -1.262 1.00 0.00 C HETATM 37 H1 UNL 1 -3.548 -4.800 -3.103 1.00 0.00 H HETATM 38 H2 UNL 1 -2.394 -6.045 -2.463 1.00 0.00 H HETATM 39 H3 UNL 1 -3.727 -5.570 -1.403 1.00 0.00 H HETATM 40 H4 UNL 1 -1.179 0.398 -2.267 1.00 0.00 H HETATM 41 H5 UNL 1 -2.058 2.574 -1.406 1.00 0.00 H HETATM 42 H6 UNL 1 -4.215 4.861 0.447 1.00 0.00 H HETATM 43 H7 UNL 1 -2.568 4.543 -0.123 1.00 0.00 H HETATM 44 H8 UNL 1 -4.044 3.762 -0.976 1.00 0.00 H HETATM 45 H9 UNL 1 -5.223 1.643 0.716 1.00 0.00 H HETATM 46 H10 UNL 1 -5.039 2.423 2.348 1.00 0.00 H HETATM 47 H11 UNL 1 -5.632 3.367 0.926 1.00 0.00 H HETATM 48 H12 UNL 1 -3.396 0.639 2.084 1.00 0.00 H HETATM 49 H13 UNL 1 -2.518 -1.546 1.227 1.00 0.00 H HETATM 50 H14 UNL 1 0.595 -0.607 -0.076 1.00 0.00 H HETATM 51 H15 UNL 1 4.295 -1.089 2.177 1.00 0.00 H HETATM 52 H16 UNL 1 6.446 3.073 2.264 1.00 0.00 H HETATM 53 H17 UNL 1 6.186 5.172 1.002 1.00 0.00 H HETATM 54 H18 UNL 1 4.474 5.324 -0.731 1.00 0.00 H HETATM 55 H19 UNL 1 2.979 3.385 -1.233 1.00 0.00 H HETATM 56 H20 UNL 1 2.300 1.072 -0.813 1.00 0.00 H HETATM 57 H21 UNL 1 4.327 -2.470 0.740 1.00 0.00 H HETATM 58 H22 UNL 1 3.441 -4.677 0.135 1.00 0.00 H HETATM 59 H23 UNL 1 -0.504 -6.260 -1.522 1.00 0.00 H CONECT 1 2 37 38 39 CONECT 2 3 36 CONECT 3 4 4 5 CONECT 5 6 17 CONECT 6 7 7 16 CONECT 7 8 40 CONECT 8 9 9 41 CONECT 9 10 15 CONECT 10 11 12 13 CONECT 11 42 43 44 CONECT 12 45 46 47 CONECT 13 14 14 14 CONECT 15 16 16 48 CONECT 16 49 CONECT 17 18 18 36 CONECT 18 19 33 CONECT 19 20 20 50 CONECT 20 21 31 CONECT 21 22 22 30 CONECT 22 23 51 CONECT 23 24 24 CONECT 24 25 29 CONECT 25 26 26 52 CONECT 26 27 53 CONECT 27 28 28 54 CONECT 28 29 55 CONECT 29 30 30 CONECT 30 56 CONECT 31 32 32 57 CONECT 32 33 58 CONECT 33 34 34 CONECT 34 35 CONECT 35 36 36 59 END