COMPND HMDB0246617 HETATM 1 C1 UNL 1 5.154 2.489 -0.160 1.00 0.00 C HETATM 2 C2 UNL 1 4.274 2.051 -1.127 1.00 0.00 C HETATM 3 C3 UNL 1 3.482 0.918 -0.894 1.00 0.00 C HETATM 4 C4 UNL 1 3.556 0.222 0.281 1.00 0.00 C HETATM 5 C5 UNL 1 2.725 -0.940 0.518 1.00 0.00 C HETATM 6 C6 UNL 1 3.349 -2.148 0.851 1.00 0.00 C HETATM 7 C7 UNL 1 2.606 -3.284 1.052 1.00 0.00 C HETATM 8 N1 UNL 1 1.276 -3.227 0.927 1.00 0.00 N HETATM 9 C8 UNL 1 0.637 -2.090 0.610 1.00 0.00 C HETATM 10 C9 UNL 1 1.342 -0.927 0.400 1.00 0.00 C HETATM 11 C10 UNL 1 0.693 0.245 0.085 1.00 0.00 C HETATM 12 C11 UNL 1 -0.699 0.227 -0.018 1.00 0.00 C HETATM 13 C12 UNL 1 -1.400 -0.934 0.192 1.00 0.00 C HETATM 14 C13 UNL 1 -2.787 -0.899 0.068 1.00 0.00 C HETATM 15 C14 UNL 1 -3.542 0.303 -0.219 1.00 0.00 C HETATM 16 C15 UNL 1 -3.444 1.427 0.556 1.00 0.00 C HETATM 17 C16 UNL 1 -4.187 2.567 0.229 1.00 0.00 C HETATM 18 C17 UNL 1 -5.026 2.599 -0.859 1.00 0.00 C HETATM 19 C18 UNL 1 -5.121 1.462 -1.637 1.00 0.00 C HETATM 20 C19 UNL 1 -4.382 0.341 -1.306 1.00 0.00 C HETATM 21 C20 UNL 1 -3.446 -2.117 0.282 1.00 0.00 C HETATM 22 C21 UNL 1 -2.756 -3.258 0.592 1.00 0.00 C HETATM 23 N2 UNL 1 -1.418 -3.244 0.703 1.00 0.00 N HETATM 24 C22 UNL 1 -0.736 -2.103 0.508 1.00 0.00 C HETATM 25 C23 UNL 1 4.443 0.676 1.235 1.00 0.00 C HETATM 26 C24 UNL 1 5.231 1.789 1.024 1.00 0.00 C HETATM 27 H1 UNL 1 5.762 3.377 -0.365 1.00 0.00 H HETATM 28 H2 UNL 1 4.190 2.582 -2.073 1.00 0.00 H HETATM 29 H3 UNL 1 2.814 0.607 -1.688 1.00 0.00 H HETATM 30 H4 UNL 1 4.424 -2.126 0.936 1.00 0.00 H HETATM 31 H5 UNL 1 3.156 -4.184 1.307 1.00 0.00 H HETATM 32 H6 UNL 1 1.211 1.170 -0.073 1.00 0.00 H HETATM 33 H7 UNL 1 -1.225 1.148 -0.282 1.00 0.00 H HETATM 34 H8 UNL 1 -2.811 1.469 1.429 1.00 0.00 H HETATM 35 H9 UNL 1 -4.092 3.436 0.854 1.00 0.00 H HETATM 36 H10 UNL 1 -5.609 3.495 -1.114 1.00 0.00 H HETATM 37 H11 UNL 1 -5.779 1.484 -2.493 1.00 0.00 H HETATM 38 H12 UNL 1 -4.474 -0.532 -1.927 1.00 0.00 H HETATM 39 H13 UNL 1 -4.507 -2.137 0.196 1.00 0.00 H HETATM 40 H14 UNL 1 -3.298 -4.182 0.750 1.00 0.00 H HETATM 41 H15 UNL 1 4.491 0.109 2.168 1.00 0.00 H HETATM 42 H16 UNL 1 5.921 2.138 1.773 1.00 0.00 H CONECT 1 2 2 26 27 CONECT 2 3 28 CONECT 3 4 4 29 CONECT 4 5 25 CONECT 5 6 6 10 CONECT 6 7 30 CONECT 7 8 8 31 CONECT 8 9 CONECT 9 10 10 24 CONECT 10 11 CONECT 11 12 12 32 CONECT 12 13 33 CONECT 13 14 14 24 CONECT 14 15 21 CONECT 15 16 16 20 CONECT 16 17 34 CONECT 17 18 18 35 CONECT 18 19 36 CONECT 19 20 20 37 CONECT 20 38 CONECT 21 22 22 39 CONECT 22 23 40 CONECT 23 24 24 CONECT 25 26 26 41 CONECT 26 42 END