COMPND HMDB0258993 HETATM 1 C1 UNL 1 -3.727 1.729 1.763 1.00 0.00 C HETATM 2 O1 UNL 1 -3.591 0.570 0.979 1.00 0.00 O HETATM 3 C2 UNL 1 -4.587 -0.376 0.851 1.00 0.00 C HETATM 4 O2 UNL 1 -5.654 -0.197 1.456 1.00 0.00 O HETATM 5 C3 UNL 1 -4.402 -1.588 0.012 1.00 0.00 C HETATM 6 S1 UNL 1 -5.505 -2.862 -0.272 1.00 0.00 S HETATM 7 C4 UNL 1 -4.557 -3.820 -1.307 1.00 0.00 C HETATM 8 C5 UNL 1 -3.390 -3.113 -1.406 1.00 0.00 C HETATM 9 C6 UNL 1 -3.311 -1.955 -0.721 1.00 0.00 C HETATM 10 S2 UNL 1 -1.865 -0.913 -0.737 1.00 0.00 S HETATM 11 O3 UNL 1 -2.194 0.458 -1.235 1.00 0.00 O HETATM 12 O4 UNL 1 -0.815 -1.462 -1.658 1.00 0.00 O HETATM 13 N1 UNL 1 -1.307 -0.792 0.876 1.00 0.00 N HETATM 14 C7 UNL 1 -0.386 0.024 1.195 1.00 0.00 C HETATM 15 O5 UNL 1 0.021 0.071 2.529 1.00 0.00 O HETATM 16 N2 UNL 1 0.187 0.847 0.192 1.00 0.00 N HETATM 17 C8 UNL 1 1.473 0.836 0.084 1.00 0.00 C HETATM 18 N3 UNL 1 2.281 0.097 0.858 1.00 0.00 N HETATM 19 C9 UNL 1 3.610 0.083 0.749 1.00 0.00 C HETATM 20 C10 UNL 1 4.506 -0.736 1.606 1.00 0.00 C HETATM 21 N4 UNL 1 4.171 0.867 -0.208 1.00 0.00 N HETATM 22 C11 UNL 1 3.403 1.633 -1.017 1.00 0.00 C HETATM 23 O6 UNL 1 3.936 2.447 -2.005 1.00 0.00 O HETATM 24 C12 UNL 1 5.357 2.473 -2.170 1.00 0.00 C HETATM 25 N5 UNL 1 2.065 1.609 -0.863 1.00 0.00 N HETATM 26 H1 UNL 1 -4.117 2.534 1.085 1.00 0.00 H HETATM 27 H2 UNL 1 -2.770 2.083 2.188 1.00 0.00 H HETATM 28 H3 UNL 1 -4.477 1.618 2.569 1.00 0.00 H HETATM 29 H4 UNL 1 -4.796 -4.781 -1.795 1.00 0.00 H HETATM 30 H5 UNL 1 -2.563 -3.519 -2.040 1.00 0.00 H HETATM 31 H6 UNL 1 0.323 -0.770 3.003 1.00 0.00 H HETATM 32 H7 UNL 1 3.999 -0.898 2.588 1.00 0.00 H HETATM 33 H8 UNL 1 5.458 -0.172 1.730 1.00 0.00 H HETATM 34 H9 UNL 1 4.657 -1.706 1.073 1.00 0.00 H HETATM 35 H10 UNL 1 5.525 2.448 -3.269 1.00 0.00 H HETATM 36 H11 UNL 1 5.782 3.425 -1.751 1.00 0.00 H HETATM 37 H12 UNL 1 5.839 1.621 -1.665 1.00 0.00 H HETATM 38 H13 UNL 1 1.420 2.185 -1.465 1.00 0.00 H CONECT 1 2 26 27 28 CONECT 2 3 CONECT 3 4 4 5 CONECT 5 6 9 9 CONECT 6 7 CONECT 7 8 8 29 CONECT 8 9 30 CONECT 9 10 CONECT 10 11 11 12 12 CONECT 10 13 CONECT 13 14 14 CONECT 14 15 16 CONECT 15 31 CONECT 16 17 17 CONECT 17 18 25 CONECT 18 19 19 CONECT 19 20 21 CONECT 20 32 33 34 CONECT 21 22 22 CONECT 22 23 25 CONECT 23 24 CONECT 24 35 36 37 CONECT 25 38 END