COMPND HMDB0256507 HETATM 1 O1 UNL 1 -3.066 -1.740 0.828 1.00 0.00 O HETATM 2 C1 UNL 1 -4.219 -1.308 0.670 1.00 0.00 C HETATM 3 O2 UNL 1 -5.185 -2.303 0.430 1.00 0.00 O HETATM 4 C2 UNL 1 -4.656 0.072 0.704 1.00 0.00 C HETATM 5 C3 UNL 1 -6.044 0.330 0.720 1.00 0.00 C HETATM 6 C4 UNL 1 -6.526 1.600 0.882 1.00 0.00 C HETATM 7 C5 UNL 1 -5.615 2.625 1.033 1.00 0.00 C HETATM 8 C6 UNL 1 -4.267 2.398 1.019 1.00 0.00 C HETATM 9 C7 UNL 1 -3.776 1.095 0.849 1.00 0.00 C HETATM 10 C8 UNL 1 -2.349 0.917 0.693 1.00 0.00 C HETATM 11 O3 UNL 1 -1.619 1.451 1.556 1.00 0.00 O HETATM 12 N1 UNL 1 -1.818 0.195 -0.373 1.00 0.00 N HETATM 13 C9 UNL 1 -0.448 -0.062 -0.649 1.00 0.00 C HETATM 14 C10 UNL 1 0.598 0.295 0.172 1.00 0.00 C HETATM 15 C11 UNL 1 1.930 0.034 -0.180 1.00 0.00 C HETATM 16 C12 UNL 1 2.250 -0.589 -1.357 1.00 0.00 C HETATM 17 S1 UNL 1 3.935 -0.844 -1.799 1.00 0.00 S HETATM 18 O4 UNL 1 4.622 0.438 -2.156 1.00 0.00 O HETATM 19 O5 UNL 1 3.959 -1.682 -3.068 1.00 0.00 O HETATM 20 N2 UNL 1 4.776 -1.729 -0.592 1.00 0.00 N HETATM 21 C13 UNL 1 5.818 -1.034 0.100 1.00 0.00 C HETATM 22 N3 UNL 1 6.626 -1.421 1.064 1.00 0.00 N HETATM 23 C14 UNL 1 7.525 -0.621 1.540 1.00 0.00 C HETATM 24 C15 UNL 1 7.604 0.640 1.004 1.00 0.00 C HETATM 25 S2 UNL 1 6.359 0.589 -0.168 1.00 0.00 S HETATM 26 C16 UNL 1 1.201 -0.958 -2.195 1.00 0.00 C HETATM 27 C17 UNL 1 -0.107 -0.701 -1.849 1.00 0.00 C HETATM 28 H1 UNL 1 -5.842 -2.104 -0.342 1.00 0.00 H HETATM 29 H2 UNL 1 -6.707 -0.515 0.593 1.00 0.00 H HETATM 30 H3 UNL 1 -7.594 1.750 0.884 1.00 0.00 H HETATM 31 H4 UNL 1 -6.019 3.631 1.164 1.00 0.00 H HETATM 32 H5 UNL 1 -3.566 3.236 1.146 1.00 0.00 H HETATM 33 H6 UNL 1 -2.531 -0.178 -1.085 1.00 0.00 H HETATM 34 H7 UNL 1 0.413 0.775 1.107 1.00 0.00 H HETATM 35 H8 UNL 1 2.738 0.330 0.508 1.00 0.00 H HETATM 36 H9 UNL 1 4.544 -2.693 -0.381 1.00 0.00 H HETATM 37 H10 UNL 1 8.218 -0.924 2.354 1.00 0.00 H HETATM 38 H11 UNL 1 8.304 1.449 1.281 1.00 0.00 H HETATM 39 H12 UNL 1 1.466 -1.451 -3.132 1.00 0.00 H HETATM 40 H13 UNL 1 -0.934 -0.992 -2.517 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 28 CONECT 4 5 5 9 CONECT 5 6 29 CONECT 6 7 7 30 CONECT 7 8 31 CONECT 8 9 9 32 CONECT 9 10 CONECT 10 11 11 12 CONECT 12 13 33 CONECT 13 14 14 27 CONECT 14 15 34 CONECT 15 16 16 35 CONECT 16 17 26 CONECT 17 18 18 19 19 CONECT 17 20 CONECT 20 21 36 CONECT 21 22 22 25 CONECT 22 23 CONECT 23 24 24 37 CONECT 24 25 38 CONECT 26 27 27 39 CONECT 27 40 END