COMPND HMDB0060839 HETATM 1 O1 UNL 1 -6.798 3.254 2.418 1.00 0.00 O HETATM 2 C1 UNL 1 -6.675 2.258 1.690 1.00 0.00 C HETATM 3 N1 UNL 1 -7.295 2.067 0.427 1.00 0.00 N HETATM 4 C2 UNL 1 -7.391 0.720 0.044 1.00 0.00 C HETATM 5 O2 UNL 1 -8.371 0.113 -0.516 1.00 0.00 O HETATM 6 C3 UNL 1 -6.148 -0.054 0.361 1.00 0.00 C HETATM 7 C4 UNL 1 -5.139 0.286 -0.694 1.00 0.00 C HETATM 8 C5 UNL 1 -3.849 -0.392 -0.534 1.00 0.00 C HETATM 9 C6 UNL 1 -3.621 -1.614 -1.119 1.00 0.00 C HETATM 10 C7 UNL 1 -2.404 -2.261 -0.971 1.00 0.00 C HETATM 11 C8 UNL 1 -1.406 -1.661 -0.221 1.00 0.00 C HETATM 12 O3 UNL 1 -0.187 -2.306 -0.071 1.00 0.00 O HETATM 13 C9 UNL 1 0.834 -1.670 0.708 1.00 0.00 C HETATM 14 C10 UNL 1 2.045 -2.545 0.726 1.00 0.00 C HETATM 15 N2 UNL 1 3.158 -2.036 1.470 1.00 0.00 N HETATM 16 C11 UNL 1 3.977 -0.964 1.087 1.00 0.00 C HETATM 17 C12 UNL 1 3.799 -0.345 -0.124 1.00 0.00 C HETATM 18 C13 UNL 1 4.621 0.734 -0.468 1.00 0.00 C HETATM 19 C14 UNL 1 5.611 1.202 0.366 1.00 0.00 C HETATM 20 O4 UNL 1 6.401 2.269 -0.010 1.00 0.00 O HETATM 21 S1 UNL 1 7.859 2.111 -0.858 1.00 0.00 S HETATM 22 O5 UNL 1 7.815 0.946 -1.815 1.00 0.00 O HETATM 23 O6 UNL 1 8.969 1.956 0.142 1.00 0.00 O HETATM 24 O7 UNL 1 8.123 3.539 -1.706 1.00 0.00 O HETATM 25 C15 UNL 1 5.749 0.545 1.572 1.00 0.00 C HETATM 26 N3 UNL 1 4.964 -0.488 1.905 1.00 0.00 N HETATM 27 C16 UNL 1 -1.628 -0.441 0.365 1.00 0.00 C HETATM 28 C17 UNL 1 -2.859 0.193 0.204 1.00 0.00 C HETATM 29 S2 UNL 1 -5.712 0.763 1.953 1.00 0.00 S HETATM 30 H1 UNL 1 -7.664 2.853 -0.195 1.00 0.00 H HETATM 31 H2 UNL 1 -6.327 -1.115 0.502 1.00 0.00 H HETATM 32 H3 UNL 1 -5.614 0.077 -1.695 1.00 0.00 H HETATM 33 H4 UNL 1 -5.030 1.408 -0.682 1.00 0.00 H HETATM 34 H5 UNL 1 -4.425 -2.064 -1.704 1.00 0.00 H HETATM 35 H6 UNL 1 -2.224 -3.227 -1.433 1.00 0.00 H HETATM 36 H7 UNL 1 1.006 -0.680 0.268 1.00 0.00 H HETATM 37 H8 UNL 1 0.375 -1.573 1.733 1.00 0.00 H HETATM 38 H9 UNL 1 1.782 -3.582 1.035 1.00 0.00 H HETATM 39 H10 UNL 1 2.374 -2.651 -0.353 1.00 0.00 H HETATM 40 H11 UNL 1 3.353 -2.534 2.386 1.00 0.00 H HETATM 41 H12 UNL 1 3.040 -0.688 -0.824 1.00 0.00 H HETATM 42 H13 UNL 1 4.472 1.208 -1.415 1.00 0.00 H HETATM 43 H14 UNL 1 7.795 4.316 -1.220 1.00 0.00 H HETATM 44 H15 UNL 1 6.522 0.900 2.240 1.00 0.00 H HETATM 45 H16 UNL 1 -0.841 0.030 0.955 1.00 0.00 H HETATM 46 H17 UNL 1 -3.037 1.147 0.661 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 29 CONECT 3 4 30 CONECT 4 5 5 6 CONECT 6 7 29 31 CONECT 7 8 32 33 CONECT 8 9 9 28 CONECT 9 10 34 CONECT 10 11 11 35 CONECT 11 12 27 CONECT 12 13 CONECT 13 14 36 37 CONECT 14 15 38 39 CONECT 15 16 40 CONECT 16 17 17 26 CONECT 17 18 41 CONECT 18 19 19 42 CONECT 19 20 25 CONECT 20 21 CONECT 21 22 22 23 23 CONECT 21 24 CONECT 24 43 CONECT 25 26 26 44 CONECT 27 28 28 45 CONECT 28 46 END