COMPND HMDB0014499 HETATM 1 C1 UNL 1 3.708 0.433 1.033 1.00 0.00 C HETATM 2 C2 UNL 1 2.924 -0.692 0.395 1.00 0.00 C HETATM 3 C3 UNL 1 1.933 -0.135 -0.639 1.00 0.00 C HETATM 4 N1 UNL 1 0.567 -0.086 -0.125 1.00 0.00 N HETATM 5 C4 UNL 1 -0.138 1.128 -0.189 1.00 0.00 C HETATM 6 O1 UNL 1 0.453 2.165 -0.706 1.00 0.00 O HETATM 7 C5 UNL 1 -1.478 1.378 0.259 1.00 0.00 C HETATM 8 N2 UNL 1 -2.196 0.481 0.783 1.00 0.00 N HETATM 9 O2 UNL 1 -1.808 -0.787 0.982 1.00 0.00 O HETATM 10 C6 UNL 1 -2.551 -1.864 0.438 1.00 0.00 C HETATM 11 C7 UNL 1 -1.896 -3.181 0.807 1.00 0.00 C HETATM 12 C8 UNL 1 -2.591 -1.778 -1.068 1.00 0.00 C HETATM 13 C9 UNL 1 -3.924 -1.891 1.012 1.00 0.00 C HETATM 14 O3 UNL 1 -4.766 -2.759 0.676 1.00 0.00 O HETATM 15 O4 UNL 1 -4.266 -0.930 1.938 1.00 0.00 O HETATM 16 C10 UNL 1 -2.042 2.756 0.097 1.00 0.00 C HETATM 17 C11 UNL 1 -3.319 3.067 0.511 1.00 0.00 C HETATM 18 S1 UNL 1 -3.430 4.718 0.093 1.00 0.00 S HETATM 19 C12 UNL 1 -1.874 4.920 -0.573 1.00 0.00 C HETATM 20 N3 UNL 1 -1.250 6.090 -1.146 1.00 0.00 N HETATM 21 N4 UNL 1 -1.353 3.714 -0.441 1.00 0.00 N HETATM 22 C13 UNL 1 2.296 -1.356 -1.369 1.00 0.00 C HETATM 23 O5 UNL 1 1.778 -2.148 -2.188 1.00 0.00 O HETATM 24 N5 UNL 1 3.572 -1.304 -0.747 1.00 0.00 N HETATM 25 S2 UNL 1 5.174 -1.779 -1.198 1.00 0.00 S HETATM 26 O6 UNL 1 5.293 -1.947 -2.674 1.00 0.00 O HETATM 27 O7 UNL 1 6.120 -0.704 -0.727 1.00 0.00 O HETATM 28 O8 UNL 1 5.481 -3.250 -0.442 1.00 0.00 O HETATM 29 H1 UNL 1 3.037 1.285 1.226 1.00 0.00 H HETATM 30 H2 UNL 1 4.518 0.786 0.354 1.00 0.00 H HETATM 31 H3 UNL 1 4.152 0.109 2.006 1.00 0.00 H HETATM 32 H4 UNL 1 2.433 -1.381 1.085 1.00 0.00 H HETATM 33 H5 UNL 1 2.286 0.808 -1.053 1.00 0.00 H HETATM 34 H6 UNL 1 0.209 -0.964 0.257 1.00 0.00 H HETATM 35 H7 UNL 1 -2.221 -3.956 0.074 1.00 0.00 H HETATM 36 H8 UNL 1 -2.173 -3.526 1.822 1.00 0.00 H HETATM 37 H9 UNL 1 -0.791 -3.124 0.703 1.00 0.00 H HETATM 38 H10 UNL 1 -2.164 -2.676 -1.546 1.00 0.00 H HETATM 39 H11 UNL 1 -3.646 -1.696 -1.454 1.00 0.00 H HETATM 40 H12 UNL 1 -1.979 -0.915 -1.446 1.00 0.00 H HETATM 41 H13 UNL 1 -4.293 -1.096 2.934 1.00 0.00 H HETATM 42 H14 UNL 1 -4.059 2.398 0.988 1.00 0.00 H HETATM 43 H15 UNL 1 -0.300 5.998 -1.508 1.00 0.00 H HETATM 44 H16 UNL 1 -1.817 6.961 -1.152 1.00 0.00 H HETATM 45 H17 UNL 1 6.391 -3.271 -0.101 1.00 0.00 H CONECT 1 2 29 30 31 CONECT 2 3 24 32 CONECT 3 4 22 33 CONECT 4 5 34 CONECT 5 6 6 7 CONECT 7 8 8 16 CONECT 8 9 CONECT 9 10 CONECT 10 11 12 13 CONECT 11 35 36 37 CONECT 12 38 39 40 CONECT 13 14 14 15 CONECT 15 41 CONECT 16 17 17 21 CONECT 17 18 42 CONECT 18 19 CONECT 19 20 21 21 CONECT 20 43 44 CONECT 22 23 23 24 CONECT 24 25 CONECT 25 26 26 27 27 CONECT 25 28 CONECT 28 45 END