COMPND HMDB0014636 HETATM 1 C1 UNL 1 5.866 -1.236 2.921 1.00 0.00 C HETATM 2 O1 UNL 1 5.245 -1.447 1.665 1.00 0.00 O HETATM 3 N1 UNL 1 5.016 -0.339 0.891 1.00 0.00 N HETATM 4 C2 UNL 1 3.821 -0.063 0.371 1.00 0.00 C HETATM 5 C3 UNL 1 2.762 -0.967 0.641 1.00 0.00 C HETATM 6 O2 UNL 1 3.137 -1.973 1.436 1.00 0.00 O HETATM 7 N2 UNL 1 1.422 -1.015 0.244 1.00 0.00 N HETATM 8 C4 UNL 1 0.583 -2.099 0.715 1.00 0.00 C HETATM 9 C5 UNL 1 -0.162 -2.848 -0.315 1.00 0.00 C HETATM 10 O3 UNL 1 0.149 -3.771 -1.113 1.00 0.00 O HETATM 11 N3 UNL 1 -1.290 -2.062 0.033 1.00 0.00 N HETATM 12 C6 UNL 1 -2.570 -1.578 -0.396 1.00 0.00 C HETATM 13 C7 UNL 1 -3.509 -2.577 -0.923 1.00 0.00 C HETATM 14 O4 UNL 1 -3.186 -3.825 -0.983 1.00 0.00 O HETATM 15 O5 UNL 1 -4.772 -2.339 -1.393 1.00 0.00 O HETATM 16 C8 UNL 1 -2.856 -0.285 -0.327 1.00 0.00 C HETATM 17 C9 UNL 1 -4.129 0.294 -0.736 1.00 0.00 C HETATM 18 O6 UNL 1 -4.756 0.955 0.384 1.00 0.00 O HETATM 19 C10 UNL 1 -5.984 1.579 0.217 1.00 0.00 C HETATM 20 C11 UNL 1 -6.678 2.276 1.333 1.00 0.00 C HETATM 21 O7 UNL 1 -6.501 1.534 -0.933 1.00 0.00 O HETATM 22 C12 UNL 1 -1.794 0.682 0.179 1.00 0.00 C HETATM 23 S1 UNL 1 -1.036 -0.016 1.668 1.00 0.00 S HETATM 24 C13 UNL 1 -0.730 -1.732 1.321 1.00 0.00 C HETATM 25 C14 UNL 1 3.816 1.180 -0.442 1.00 0.00 C HETATM 26 C15 UNL 1 2.679 1.759 -0.943 1.00 0.00 C HETATM 27 S2 UNL 1 3.334 3.108 -1.824 1.00 0.00 S HETATM 28 C16 UNL 1 4.981 2.848 -1.500 1.00 0.00 C HETATM 29 N4 UNL 1 6.137 3.596 -1.920 1.00 0.00 N HETATM 30 N5 UNL 1 4.940 1.774 -0.757 1.00 0.00 N HETATM 31 H1 UNL 1 6.703 -0.521 2.773 1.00 0.00 H HETATM 32 H2 UNL 1 6.233 -2.194 3.295 1.00 0.00 H HETATM 33 H3 UNL 1 5.176 -0.780 3.663 1.00 0.00 H HETATM 34 H4 UNL 1 0.981 -0.347 -0.372 1.00 0.00 H HETATM 35 H5 UNL 1 1.147 -2.789 1.366 1.00 0.00 H HETATM 36 H6 UNL 1 -5.073 -2.402 -2.353 1.00 0.00 H HETATM 37 H7 UNL 1 -3.959 1.167 -1.463 1.00 0.00 H HETATM 38 H8 UNL 1 -4.887 -0.294 -1.190 1.00 0.00 H HETATM 39 H9 UNL 1 -7.500 1.670 1.752 1.00 0.00 H HETATM 40 H10 UNL 1 -5.934 2.524 2.128 1.00 0.00 H HETATM 41 H11 UNL 1 -7.093 3.233 0.921 1.00 0.00 H HETATM 42 H12 UNL 1 -1.063 0.884 -0.624 1.00 0.00 H HETATM 43 H13 UNL 1 -2.302 1.640 0.391 1.00 0.00 H HETATM 44 H14 UNL 1 -1.046 -2.429 2.155 1.00 0.00 H HETATM 45 H15 UNL 1 1.625 1.519 -0.846 1.00 0.00 H HETATM 46 H16 UNL 1 6.901 3.104 -2.389 1.00 0.00 H HETATM 47 H17 UNL 1 6.156 4.600 -1.735 1.00 0.00 H CONECT 1 2 31 32 33 CONECT 2 3 CONECT 3 4 4 CONECT 4 5 25 CONECT 5 6 6 7 CONECT 7 8 34 CONECT 8 9 24 35 CONECT 9 10 10 11 CONECT 11 12 24 CONECT 12 13 16 16 CONECT 13 14 14 15 CONECT 15 36 CONECT 16 17 22 CONECT 17 18 37 38 CONECT 18 19 CONECT 19 20 21 21 CONECT 20 39 40 41 CONECT 22 23 42 43 CONECT 23 24 CONECT 24 44 CONECT 25 26 26 30 CONECT 26 27 45 CONECT 27 28 CONECT 28 29 30 30 CONECT 29 46 47 END