COMPND HMDB0015485 HETATM 1 N1 UNL 1 -1.405 -3.941 0.509 1.00 0.00 N HETATM 2 C1 UNL 1 -2.350 -2.874 0.258 1.00 0.00 C HETATM 3 N2 UNL 1 -2.095 -1.601 0.117 1.00 0.00 N HETATM 4 C2 UNL 1 -3.028 -0.735 -0.103 1.00 0.00 C HETATM 5 C3 UNL 1 -2.711 0.734 -0.258 1.00 0.00 C HETATM 6 C4 UNL 1 -3.668 1.596 -0.464 1.00 0.00 C HETATM 7 C5 UNL 1 -3.820 2.996 -0.651 1.00 0.00 C HETATM 8 C6 UNL 1 -2.899 4.069 -0.529 1.00 0.00 C HETATM 9 O1 UNL 1 -2.584 4.537 0.624 1.00 0.00 O HETATM 10 O2 UNL 1 -2.298 4.673 -1.630 1.00 0.00 O HETATM 11 C7 UNL 1 -1.340 1.172 -0.244 1.00 0.00 C HETATM 12 O3 UNL 1 -1.044 2.365 -0.447 1.00 0.00 O HETATM 13 N3 UNL 1 -0.215 0.345 -0.008 1.00 0.00 N HETATM 14 C8 UNL 1 1.128 0.932 -0.026 1.00 0.00 C HETATM 15 C9 UNL 1 1.983 0.406 -1.116 1.00 0.00 C HETATM 16 O4 UNL 1 1.909 0.448 -2.363 1.00 0.00 O HETATM 17 N4 UNL 1 2.860 -0.126 -0.152 1.00 0.00 N HETATM 18 C10 UNL 1 4.027 -0.890 0.123 1.00 0.00 C HETATM 19 C11 UNL 1 5.168 -0.685 -0.793 1.00 0.00 C HETATM 20 O5 UNL 1 5.106 0.117 -1.728 1.00 0.00 O HETATM 21 O6 UNL 1 6.315 -1.422 -0.572 1.00 0.00 O HETATM 22 C12 UNL 1 4.131 -1.755 1.110 1.00 0.00 C HETATM 23 C13 UNL 1 3.078 -2.067 2.067 1.00 0.00 C HETATM 24 S1 UNL 1 1.624 -1.012 1.946 1.00 0.00 S HETATM 25 C14 UNL 1 2.095 0.432 0.975 1.00 0.00 C HETATM 26 C15 UNL 1 -4.302 -1.227 -0.181 1.00 0.00 C HETATM 27 S2 UNL 1 -4.038 -2.918 0.075 1.00 0.00 S HETATM 28 H1 UNL 1 -0.984 -4.408 -0.320 1.00 0.00 H HETATM 29 H2 UNL 1 -1.165 -4.219 1.486 1.00 0.00 H HETATM 30 H3 UNL 1 -4.692 1.033 -0.509 1.00 0.00 H HETATM 31 H4 UNL 1 -4.708 3.298 0.085 1.00 0.00 H HETATM 32 H5 UNL 1 -4.466 3.168 -1.638 1.00 0.00 H HETATM 33 H6 UNL 1 -2.278 4.201 -2.522 1.00 0.00 H HETATM 34 H7 UNL 1 -0.302 -0.639 0.177 1.00 0.00 H HETATM 35 H8 UNL 1 1.102 2.034 -0.111 1.00 0.00 H HETATM 36 H9 UNL 1 7.253 -1.024 -0.621 1.00 0.00 H HETATM 37 H10 UNL 1 5.099 -2.281 1.218 1.00 0.00 H HETATM 38 H11 UNL 1 3.476 -2.093 3.121 1.00 0.00 H HETATM 39 H12 UNL 1 2.682 -3.130 1.915 1.00 0.00 H HETATM 40 H13 UNL 1 2.632 1.221 1.537 1.00 0.00 H HETATM 41 H14 UNL 1 -5.274 -0.729 -0.357 1.00 0.00 H CONECT 1 2 28 29 CONECT 2 3 3 27 CONECT 3 4 CONECT 4 5 26 26 CONECT 5 6 6 11 CONECT 6 7 30 CONECT 7 8 31 32 CONECT 8 9 9 10 CONECT 10 33 CONECT 11 12 12 13 CONECT 13 14 34 CONECT 14 15 25 35 CONECT 15 16 16 17 CONECT 17 18 25 CONECT 18 19 22 22 CONECT 19 20 20 21 CONECT 21 36 CONECT 22 23 37 CONECT 23 24 38 39 CONECT 24 25 CONECT 25 40 CONECT 26 27 41 END