COMPND HMDB0250446 HETATM 1 C1 UNL 1 -0.362 1.622 -1.994 1.00 0.00 C HETATM 2 O1 UNL 1 -0.620 0.411 -1.322 1.00 0.00 O HETATM 3 C2 UNL 1 -0.469 0.381 0.052 1.00 0.00 C HETATM 4 C3 UNL 1 -1.562 0.694 0.882 1.00 0.00 C HETATM 5 O2 UNL 1 -2.713 1.006 0.240 1.00 0.00 O HETATM 6 C4 UNL 1 -3.948 1.302 0.776 1.00 0.00 C HETATM 7 C5 UNL 1 -4.557 0.128 1.489 1.00 0.00 C HETATM 8 C6 UNL 1 -4.784 -1.075 0.626 1.00 0.00 C HETATM 9 N1 UNL 1 -5.643 -0.996 -0.458 1.00 0.00 N HETATM 10 C7 UNL 1 -5.368 -0.263 -1.618 1.00 0.00 C HETATM 11 C8 UNL 1 -6.455 0.720 -2.005 1.00 0.00 C HETATM 12 O3 UNL 1 -7.711 0.128 -2.010 1.00 0.00 O HETATM 13 C9 UNL 1 -7.713 -1.184 -1.620 1.00 0.00 C HETATM 14 C10 UNL 1 -6.985 -1.453 -0.316 1.00 0.00 C HETATM 15 C11 UNL 1 -1.315 0.638 2.221 1.00 0.00 C HETATM 16 C12 UNL 1 -0.083 0.299 2.770 1.00 0.00 C HETATM 17 C13 UNL 1 0.969 -0.003 1.943 1.00 0.00 C HETATM 18 C14 UNL 1 2.217 -0.347 2.424 1.00 0.00 C HETATM 19 N2 UNL 1 3.229 -0.638 1.600 1.00 0.00 N HETATM 20 C15 UNL 1 3.024 -0.594 0.242 1.00 0.00 C HETATM 21 N3 UNL 1 3.878 -0.848 -0.556 1.00 0.00 N HETATM 22 C16 UNL 1 4.840 -1.132 -1.376 1.00 0.00 C HETATM 23 O4 UNL 1 4.785 -2.123 -2.194 1.00 0.00 O HETATM 24 C17 UNL 1 6.089 -0.339 -1.441 1.00 0.00 C HETATM 25 C18 UNL 1 7.106 -0.672 -2.327 1.00 0.00 C HETATM 26 N4 UNL 1 8.241 0.042 -2.392 1.00 0.00 N HETATM 27 C19 UNL 1 8.432 1.111 -1.597 1.00 0.00 C HETATM 28 N5 UNL 1 9.646 1.865 -1.675 1.00 0.00 N HETATM 29 N6 UNL 1 7.456 1.442 -0.739 1.00 0.00 N HETATM 30 C20 UNL 1 6.293 0.754 -0.634 1.00 0.00 C HETATM 31 N7 UNL 1 1.778 -0.250 -0.227 1.00 0.00 N HETATM 32 C21 UNL 1 0.769 0.040 0.586 1.00 0.00 C HETATM 33 C22 UNL 1 4.420 -0.962 2.311 1.00 0.00 C HETATM 34 C23 UNL 1 3.932 -1.043 3.763 1.00 0.00 C HETATM 35 N8 UNL 1 2.629 -0.450 3.772 1.00 0.00 N HETATM 36 H1 UNL 1 0.715 1.888 -1.812 1.00 0.00 H HETATM 37 H2 UNL 1 -0.457 1.458 -3.080 1.00 0.00 H HETATM 38 H3 UNL 1 -1.035 2.449 -1.664 1.00 0.00 H HETATM 39 H4 UNL 1 -4.651 1.770 0.052 1.00 0.00 H HETATM 40 H5 UNL 1 -3.857 2.139 1.567 1.00 0.00 H HETATM 41 H6 UNL 1 -3.985 -0.171 2.383 1.00 0.00 H HETATM 42 H7 UNL 1 -5.535 0.503 1.916 1.00 0.00 H HETATM 43 H8 UNL 1 -3.772 -1.433 0.247 1.00 0.00 H HETATM 44 H9 UNL 1 -5.106 -1.933 1.286 1.00 0.00 H HETATM 45 H10 UNL 1 -4.405 0.242 -1.710 1.00 0.00 H HETATM 46 H11 UNL 1 -5.350 -1.017 -2.481 1.00 0.00 H HETATM 47 H12 UNL 1 -6.244 1.047 -3.044 1.00 0.00 H HETATM 48 H13 UNL 1 -6.517 1.607 -1.383 1.00 0.00 H HETATM 49 H14 UNL 1 -8.778 -1.526 -1.542 1.00 0.00 H HETATM 50 H15 UNL 1 -7.258 -1.786 -2.438 1.00 0.00 H HETATM 51 H16 UNL 1 -7.538 -0.990 0.519 1.00 0.00 H HETATM 52 H17 UNL 1 -6.954 -2.561 -0.211 1.00 0.00 H HETATM 53 H18 UNL 1 -2.103 0.893 2.908 1.00 0.00 H HETATM 54 H19 UNL 1 0.074 0.265 3.835 1.00 0.00 H HETATM 55 H20 UNL 1 6.958 -1.532 -2.969 1.00 0.00 H HETATM 56 H21 UNL 1 10.297 1.762 -2.479 1.00 0.00 H HETATM 57 H22 UNL 1 9.907 2.537 -0.924 1.00 0.00 H HETATM 58 H23 UNL 1 5.528 1.063 0.081 1.00 0.00 H HETATM 59 H24 UNL 1 5.200 -0.173 2.259 1.00 0.00 H HETATM 60 H25 UNL 1 4.872 -1.926 2.078 1.00 0.00 H HETATM 61 H26 UNL 1 3.813 -2.115 4.055 1.00 0.00 H HETATM 62 H27 UNL 1 4.643 -0.513 4.413 1.00 0.00 H HETATM 63 H28 UNL 1 2.098 -0.157 4.602 1.00 0.00 H CONECT 1 2 36 37 38 CONECT 2 3 CONECT 3 4 4 32 CONECT 4 5 15 CONECT 5 6 CONECT 6 7 39 40 CONECT 7 8 41 42 CONECT 8 9 43 44 CONECT 9 10 14 CONECT 10 11 45 46 CONECT 11 12 47 48 CONECT 12 13 CONECT 13 14 49 50 CONECT 14 51 52 CONECT 15 16 16 53 CONECT 16 17 54 CONECT 17 18 18 32 CONECT 18 19 35 CONECT 19 20 33 CONECT 20 21 21 31 CONECT 21 22 CONECT 22 23 23 24 CONECT 24 25 25 30 CONECT 25 26 55 CONECT 26 27 27 CONECT 27 28 29 CONECT 28 56 57 CONECT 29 30 30 CONECT 30 58 CONECT 31 32 32 CONECT 33 34 59 60 CONECT 34 35 61 62 CONECT 35 63 END