COMPND HMDB0249319 HETATM 1 C1 UNL 1 2.642 4.210 0.475 1.00 0.00 C HETATM 2 O1 UNL 1 2.452 2.836 0.316 1.00 0.00 O HETATM 3 C2 UNL 1 3.456 1.892 0.393 1.00 0.00 C HETATM 4 C3 UNL 1 4.763 2.291 0.646 1.00 0.00 C HETATM 5 N1 UNL 1 5.722 1.371 0.718 1.00 0.00 N HETATM 6 C4 UNL 1 5.486 0.064 0.557 1.00 0.00 C HETATM 7 N2 UNL 1 6.501 -0.926 0.631 1.00 0.00 N HETATM 8 C5 UNL 1 6.449 -2.015 1.432 1.00 0.00 C HETATM 9 N3 UNL 1 7.590 -2.727 1.233 1.00 0.00 N HETATM 10 C6 UNL 1 8.329 -2.091 0.329 1.00 0.00 C HETATM 11 C7 UNL 1 9.650 -2.569 -0.147 1.00 0.00 C HETATM 12 N4 UNL 1 7.641 -0.983 -0.030 1.00 0.00 N HETATM 13 C8 UNL 1 4.196 -0.376 0.303 1.00 0.00 C HETATM 14 N5 UNL 1 3.686 -1.608 0.104 1.00 0.00 N HETATM 15 C9 UNL 1 2.365 -1.485 -0.103 1.00 0.00 C HETATM 16 C10 UNL 1 1.980 -0.156 -0.042 1.00 0.00 C HETATM 17 C11 UNL 1 0.629 0.387 -0.213 1.00 0.00 C HETATM 18 O2 UNL 1 0.451 1.613 -0.122 1.00 0.00 O HETATM 19 C12 UNL 1 -0.521 -0.442 -0.485 1.00 0.00 C HETATM 20 O3 UNL 1 -0.364 -1.702 -0.585 1.00 0.00 O HETATM 21 N6 UNL 1 -1.817 0.103 -0.645 1.00 0.00 N HETATM 22 C13 UNL 1 -2.860 -0.905 -0.919 1.00 0.00 C HETATM 23 C14 UNL 1 -3.916 -0.164 -1.741 1.00 0.00 C HETATM 24 N7 UNL 1 -4.388 0.865 -0.890 1.00 0.00 N HETATM 25 C15 UNL 1 -5.579 0.915 -0.182 1.00 0.00 C HETATM 26 O4 UNL 1 -5.842 2.009 0.486 1.00 0.00 O HETATM 27 C16 UNL 1 -6.608 -0.089 -0.067 1.00 0.00 C HETATM 28 C17 UNL 1 -6.491 -1.417 -0.412 1.00 0.00 C HETATM 29 C18 UNL 1 -7.567 -2.310 -0.334 1.00 0.00 C HETATM 30 C19 UNL 1 -8.768 -1.826 0.104 1.00 0.00 C HETATM 31 C20 UNL 1 -8.940 -0.506 0.463 1.00 0.00 C HETATM 32 C21 UNL 1 -7.876 0.342 0.377 1.00 0.00 C HETATM 33 C22 UNL 1 -3.455 1.988 -0.711 1.00 0.00 C HETATM 34 C23 UNL 1 -2.042 1.496 -0.543 1.00 0.00 C HETATM 35 C24 UNL 1 3.156 0.561 0.219 1.00 0.00 C HETATM 36 H1 UNL 1 2.647 4.451 1.574 1.00 0.00 H HETATM 37 H2 UNL 1 1.735 4.757 0.083 1.00 0.00 H HETATM 38 H3 UNL 1 3.532 4.606 -0.025 1.00 0.00 H HETATM 39 H4 UNL 1 4.927 3.353 0.772 1.00 0.00 H HETATM 40 H5 UNL 1 5.633 -2.251 2.101 1.00 0.00 H HETATM 41 H6 UNL 1 10.244 -2.982 0.719 1.00 0.00 H HETATM 42 H7 UNL 1 10.282 -1.736 -0.544 1.00 0.00 H HETATM 43 H8 UNL 1 9.562 -3.399 -0.871 1.00 0.00 H HETATM 44 H9 UNL 1 4.240 -2.501 0.111 1.00 0.00 H HETATM 45 H10 UNL 1 1.727 -2.336 -0.287 1.00 0.00 H HETATM 46 H11 UNL 1 -3.317 -1.195 0.029 1.00 0.00 H HETATM 47 H12 UNL 1 -2.478 -1.714 -1.537 1.00 0.00 H HETATM 48 H13 UNL 1 -4.619 -0.781 -2.273 1.00 0.00 H HETATM 49 H14 UNL 1 -3.260 0.384 -2.525 1.00 0.00 H HETATM 50 H15 UNL 1 -5.546 -1.827 -0.715 1.00 0.00 H HETATM 51 H16 UNL 1 -7.440 -3.352 -0.616 1.00 0.00 H HETATM 52 H17 UNL 1 -9.623 -2.477 0.179 1.00 0.00 H HETATM 53 H18 UNL 1 -9.907 -0.127 0.814 1.00 0.00 H HETATM 54 H19 UNL 1 -8.040 1.375 0.665 1.00 0.00 H HETATM 55 H20 UNL 1 -3.767 2.621 0.140 1.00 0.00 H HETATM 56 H21 UNL 1 -3.544 2.602 -1.628 1.00 0.00 H HETATM 57 H22 UNL 1 -1.406 2.047 -1.289 1.00 0.00 H HETATM 58 H23 UNL 1 -1.693 1.840 0.472 1.00 0.00 H CONECT 1 2 36 37 38 CONECT 2 3 CONECT 3 4 4 35 CONECT 4 5 39 CONECT 5 6 6 CONECT 6 7 13 CONECT 7 8 12 CONECT 8 9 9 40 CONECT 9 10 CONECT 10 11 12 12 CONECT 11 41 42 43 CONECT 13 14 35 35 CONECT 14 15 44 CONECT 15 16 16 45 CONECT 16 17 35 CONECT 17 18 18 19 CONECT 19 20 20 21 CONECT 21 22 34 CONECT 22 23 46 47 CONECT 23 24 48 49 CONECT 24 25 33 CONECT 25 26 26 27 CONECT 27 28 28 32 CONECT 28 29 50 CONECT 29 30 30 51 CONECT 30 31 52 CONECT 31 32 32 53 CONECT 32 54 CONECT 33 34 55 56 CONECT 34 57 58 END