COMPND HMDB0244751 HETATM 1 C1 UNL 1 5.660 0.024 0.477 1.00 0.00 C HETATM 2 O1 UNL 1 4.363 -0.408 0.763 1.00 0.00 O HETATM 3 C2 UNL 1 3.251 0.178 0.140 1.00 0.00 C HETATM 4 C3 UNL 1 3.410 1.196 -0.770 1.00 0.00 C HETATM 5 C4 UNL 1 2.313 1.766 -1.378 1.00 0.00 C HETATM 6 C5 UNL 1 1.067 1.286 -1.045 1.00 0.00 C HETATM 7 C6 UNL 1 0.867 0.253 -0.124 1.00 0.00 C HETATM 8 C7 UNL 1 -0.515 -0.137 0.116 1.00 0.00 C HETATM 9 C8 UNL 1 -0.953 -1.112 0.966 1.00 0.00 C HETATM 10 C9 UNL 1 -2.312 -1.420 1.134 1.00 0.00 C HETATM 11 O2 UNL 1 -2.683 -2.319 1.920 1.00 0.00 O HETATM 12 C10 UNL 1 -3.262 -0.725 0.423 1.00 0.00 C HETATM 13 C11 UNL 1 -4.609 -0.996 0.558 1.00 0.00 C HETATM 14 C12 UNL 1 -5.501 -0.272 -0.175 1.00 0.00 C HETATM 15 C13 UNL 1 -5.031 0.709 -1.028 1.00 0.00 C HETATM 16 C14 UNL 1 -3.678 0.968 -1.151 1.00 0.00 C HETATM 17 C15 UNL 1 -2.757 0.246 -0.418 1.00 0.00 C HETATM 18 O3 UNL 1 -1.490 0.494 -0.539 1.00 0.00 O HETATM 19 C16 UNL 1 1.967 -0.294 0.462 1.00 0.00 C HETATM 20 N1 UNL 1 1.893 -1.344 1.408 1.00 0.00 N HETATM 21 H1 UNL 1 5.913 -0.176 -0.589 1.00 0.00 H HETATM 22 H2 UNL 1 5.839 1.088 0.702 1.00 0.00 H HETATM 23 H3 UNL 1 6.355 -0.556 1.126 1.00 0.00 H HETATM 24 H4 UNL 1 4.383 1.584 -1.042 1.00 0.00 H HETATM 25 H5 UNL 1 2.434 2.572 -2.099 1.00 0.00 H HETATM 26 H6 UNL 1 0.194 1.748 -1.536 1.00 0.00 H HETATM 27 H7 UNL 1 -0.253 -1.680 1.541 1.00 0.00 H HETATM 28 H8 UNL 1 -4.964 -1.783 1.244 1.00 0.00 H HETATM 29 H9 UNL 1 -6.575 -0.448 -0.103 1.00 0.00 H HETATM 30 H10 UNL 1 -5.765 1.261 -1.591 1.00 0.00 H HETATM 31 H11 UNL 1 -3.301 1.749 -1.830 1.00 0.00 H HETATM 32 H12 UNL 1 1.816 -1.083 2.416 1.00 0.00 H HETATM 33 H13 UNL 1 1.926 -2.369 1.130 1.00 0.00 H CONECT 1 2 21 22 23 CONECT 2 3 CONECT 3 4 4 19 CONECT 4 5 24 CONECT 5 6 6 25 CONECT 6 7 26 CONECT 7 8 19 19 CONECT 8 9 9 18 CONECT 9 10 27 CONECT 10 11 11 12 CONECT 12 13 13 17 CONECT 13 14 28 CONECT 14 15 15 29 CONECT 15 16 30 CONECT 16 17 17 31 CONECT 17 18 CONECT 19 20 CONECT 20 32 33 END