COMPND HMDB0260003 HETATM 1 C1 UNL 1 -3.799 -0.661 -1.277 1.00 0.00 C HETATM 2 O1 UNL 1 -2.652 -0.952 -0.529 1.00 0.00 O HETATM 3 C2 UNL 1 -2.286 -0.236 0.611 1.00 0.00 C HETATM 4 N1 UNL 1 -3.084 0.769 0.984 1.00 0.00 N HETATM 5 C3 UNL 1 -2.827 1.511 2.053 1.00 0.00 C HETATM 6 C4 UNL 1 -3.708 2.632 2.479 1.00 0.00 C HETATM 7 C5 UNL 1 -1.697 1.238 2.806 1.00 0.00 C HETATM 8 N2 UNL 1 -0.909 0.229 2.417 1.00 0.00 N HETATM 9 C6 UNL 1 -1.155 -0.548 1.320 1.00 0.00 C HETATM 10 N3 UNL 1 -0.275 -1.584 0.997 1.00 0.00 N HETATM 11 S1 UNL 1 -0.345 -2.666 -0.289 1.00 0.00 S HETATM 12 O2 UNL 1 -1.750 -3.340 -0.207 1.00 0.00 O HETATM 13 O3 UNL 1 0.576 -3.833 -0.053 1.00 0.00 O HETATM 14 C7 UNL 1 -0.264 -2.000 -1.874 1.00 0.00 C HETATM 15 C8 UNL 1 -1.177 -2.424 -2.867 1.00 0.00 C HETATM 16 C9 UNL 1 -1.080 -1.906 -4.134 1.00 0.00 C HETATM 17 C10 UNL 1 -0.101 -0.973 -4.460 1.00 0.00 C HETATM 18 N4 UNL 1 0.739 -0.597 -3.503 1.00 0.00 N HETATM 19 C11 UNL 1 0.688 -1.084 -2.214 1.00 0.00 C HETATM 20 C12 UNL 1 1.616 -0.545 -1.245 1.00 0.00 C HETATM 21 C13 UNL 1 2.493 -1.234 -0.460 1.00 0.00 C HETATM 22 C14 UNL 1 3.318 -0.593 0.471 1.00 0.00 C HETATM 23 C15 UNL 1 3.294 0.775 0.649 1.00 0.00 C HETATM 24 C16 UNL 1 4.157 1.434 1.621 1.00 0.00 C HETATM 25 N5 UNL 1 5.064 0.928 2.467 1.00 0.00 N HETATM 26 N6 UNL 1 5.616 1.921 3.173 1.00 0.00 N HETATM 27 C17 UNL 1 5.036 3.036 2.750 1.00 0.00 C HETATM 28 O4 UNL 1 4.172 2.726 1.828 1.00 0.00 O HETATM 29 C18 UNL 1 2.412 1.481 -0.141 1.00 0.00 C HETATM 30 C19 UNL 1 1.601 0.846 -1.056 1.00 0.00 C HETATM 31 H1 UNL 1 -3.996 -1.568 -1.922 1.00 0.00 H HETATM 32 H2 UNL 1 -3.568 0.152 -1.995 1.00 0.00 H HETATM 33 H3 UNL 1 -4.679 -0.403 -0.656 1.00 0.00 H HETATM 34 H4 UNL 1 -3.490 3.548 1.880 1.00 0.00 H HETATM 35 H5 UNL 1 -4.754 2.323 2.271 1.00 0.00 H HETATM 36 H6 UNL 1 -3.535 2.836 3.566 1.00 0.00 H HETATM 37 H7 UNL 1 -1.492 1.850 3.680 1.00 0.00 H HETATM 38 H8 UNL 1 0.556 -1.697 1.664 1.00 0.00 H HETATM 39 H9 UNL 1 -1.928 -3.137 -2.627 1.00 0.00 H HETATM 40 H10 UNL 1 -1.782 -2.234 -4.894 1.00 0.00 H HETATM 41 H11 UNL 1 -0.083 -0.608 -5.476 1.00 0.00 H HETATM 42 H12 UNL 1 2.575 -2.299 -0.574 1.00 0.00 H HETATM 43 H13 UNL 1 4.004 -1.154 1.084 1.00 0.00 H HETATM 44 H14 UNL 1 5.197 4.073 3.066 1.00 0.00 H HETATM 45 H15 UNL 1 2.397 2.555 0.002 1.00 0.00 H HETATM 46 H16 UNL 1 0.907 1.414 -1.676 1.00 0.00 H CONECT 1 2 31 32 33 CONECT 2 3 CONECT 3 4 4 9 CONECT 4 5 CONECT 5 6 7 7 CONECT 6 34 35 36 CONECT 7 8 37 CONECT 8 9 9 CONECT 9 10 CONECT 10 11 38 CONECT 11 12 12 13 13 CONECT 11 14 CONECT 14 15 15 19 CONECT 15 16 39 CONECT 16 17 17 40 CONECT 17 18 41 CONECT 18 19 19 CONECT 19 20 CONECT 20 21 21 30 CONECT 21 22 42 CONECT 22 23 23 43 CONECT 23 24 29 CONECT 24 25 25 28 CONECT 25 26 CONECT 26 27 27 CONECT 27 28 44 CONECT 29 30 30 45 CONECT 30 46 END