COMPND HMDB0015271 HETATM 1 C1 UNL 1 -4.340 2.451 -1.206 1.00 0.00 C HETATM 2 C2 UNL 1 -3.271 1.523 -0.689 1.00 0.00 C HETATM 3 C3 UNL 1 -3.502 0.227 -0.787 1.00 0.00 C HETATM 4 C4 UNL 1 -4.719 -0.311 -1.363 1.00 0.00 C HETATM 5 O1 UNL 1 -4.888 -1.572 -1.437 1.00 0.00 O HETATM 6 O2 UNL 1 -5.747 0.466 -1.855 1.00 0.00 O HETATM 7 N1 UNL 1 -2.557 -0.733 -0.317 1.00 0.00 N HETATM 8 C5 UNL 1 -1.932 -1.979 -0.480 1.00 0.00 C HETATM 9 O3 UNL 1 -2.068 -2.998 -1.240 1.00 0.00 O HETATM 10 C6 UNL 1 -0.951 -1.750 0.615 1.00 0.00 C HETATM 11 N2 UNL 1 0.413 -1.554 0.189 1.00 0.00 N HETATM 12 C7 UNL 1 1.452 -2.309 0.769 1.00 0.00 C HETATM 13 O4 UNL 1 1.197 -3.159 1.662 1.00 0.00 O HETATM 14 C8 UNL 1 2.882 -2.149 0.368 1.00 0.00 C HETATM 15 N3 UNL 1 3.747 -3.026 1.098 1.00 0.00 N HETATM 16 C9 UNL 1 3.289 -0.725 0.435 1.00 0.00 C HETATM 17 C10 UNL 1 3.656 -0.176 1.638 1.00 0.00 C HETATM 18 C11 UNL 1 4.043 1.167 1.717 1.00 0.00 C HETATM 19 C12 UNL 1 4.059 1.956 0.580 1.00 0.00 C HETATM 20 O5 UNL 1 4.439 3.302 0.620 1.00 0.00 O HETATM 21 C13 UNL 1 3.694 1.409 -0.611 1.00 0.00 C HETATM 22 C14 UNL 1 3.312 0.079 -0.685 1.00 0.00 C HETATM 23 C15 UNL 1 -1.746 -0.506 0.887 1.00 0.00 C HETATM 24 S1 UNL 1 -0.881 1.054 0.575 1.00 0.00 S HETATM 25 C16 UNL 1 -2.082 2.182 -0.141 1.00 0.00 C HETATM 26 H1 UNL 1 -4.014 3.522 -1.130 1.00 0.00 H HETATM 27 H2 UNL 1 -4.481 2.278 -2.282 1.00 0.00 H HETATM 28 H3 UNL 1 -5.293 2.332 -0.682 1.00 0.00 H HETATM 29 H4 UNL 1 -6.680 0.417 -1.454 1.00 0.00 H HETATM 30 H5 UNL 1 -1.072 -2.514 1.399 1.00 0.00 H HETATM 31 H6 UNL 1 0.674 -0.865 -0.545 1.00 0.00 H HETATM 32 H7 UNL 1 2.960 -2.449 -0.716 1.00 0.00 H HETATM 33 H8 UNL 1 3.567 -3.030 2.127 1.00 0.00 H HETATM 34 H9 UNL 1 3.825 -3.980 0.687 1.00 0.00 H HETATM 35 H10 UNL 1 3.654 -0.762 2.536 1.00 0.00 H HETATM 36 H11 UNL 1 4.336 1.629 2.640 1.00 0.00 H HETATM 37 H12 UNL 1 4.716 3.746 1.477 1.00 0.00 H HETATM 38 H13 UNL 1 3.686 1.968 -1.523 1.00 0.00 H HETATM 39 H14 UNL 1 3.014 -0.395 -1.618 1.00 0.00 H HETATM 40 H15 UNL 1 -2.326 -0.506 1.823 1.00 0.00 H HETATM 41 H16 UNL 1 -1.617 2.900 -0.855 1.00 0.00 H HETATM 42 H17 UNL 1 -2.447 2.839 0.708 1.00 0.00 H CONECT 1 2 26 27 28 CONECT 2 3 3 25 CONECT 3 4 7 CONECT 4 5 5 6 CONECT 6 29 CONECT 7 8 23 CONECT 8 9 9 10 CONECT 10 11 23 30 CONECT 11 12 31 CONECT 12 13 13 14 CONECT 14 15 16 32 CONECT 15 33 34 CONECT 16 17 17 22 CONECT 17 18 35 CONECT 18 19 19 36 CONECT 19 20 21 CONECT 20 37 CONECT 21 22 22 38 CONECT 22 39 CONECT 23 24 40 CONECT 24 25 CONECT 25 41 42 END