COMPND HMDB0060914 HETATM 1 C1 UNL 1 1.286 -1.217 -2.116 1.00 0.00 C HETATM 2 C2 UNL 1 1.495 -1.192 -0.638 1.00 0.00 C HETATM 3 C3 UNL 1 2.690 -0.353 -0.261 1.00 0.00 C HETATM 4 C4 UNL 1 3.732 0.018 -1.067 1.00 0.00 C HETATM 5 C5 UNL 1 4.705 0.778 -0.520 1.00 0.00 C HETATM 6 C6 UNL 1 5.867 1.283 -1.132 1.00 0.00 C HETATM 7 C7 UNL 1 6.794 2.048 -0.483 1.00 0.00 C HETATM 8 C8 UNL 1 6.626 2.369 0.843 1.00 0.00 C HETATM 9 C9 UNL 1 5.499 1.894 1.484 1.00 0.00 C HETATM 10 C10 UNL 1 4.562 1.112 0.799 1.00 0.00 C HETATM 11 S1 UNL 1 3.091 0.363 1.229 1.00 0.00 S HETATM 12 N1 UNL 1 0.338 -0.493 -0.059 1.00 0.00 N HETATM 13 O1 UNL 1 -0.461 -1.118 0.825 1.00 0.00 O HETATM 14 C11 UNL 1 -1.794 -0.873 0.538 1.00 0.00 C HETATM 15 O2 UNL 1 -2.437 -0.181 1.570 1.00 0.00 O HETATM 16 C12 UNL 1 -3.637 0.274 1.078 1.00 0.00 C HETATM 17 C13 UNL 1 -4.223 1.360 1.853 1.00 0.00 C HETATM 18 O3 UNL 1 -3.652 1.811 2.871 1.00 0.00 O HETATM 19 O4 UNL 1 -5.428 1.913 1.471 1.00 0.00 O HETATM 20 C14 UNL 1 -4.568 -0.943 0.993 1.00 0.00 C HETATM 21 O5 UNL 1 -5.840 -0.557 0.585 1.00 0.00 O HETATM 22 C15 UNL 1 -3.972 -1.853 -0.060 1.00 0.00 C HETATM 23 O6 UNL 1 -4.712 -3.022 -0.210 1.00 0.00 O HETATM 24 C16 UNL 1 -2.529 -2.157 0.182 1.00 0.00 C HETATM 25 O7 UNL 1 -1.978 -2.579 -1.047 1.00 0.00 O HETATM 26 C17 UNL 1 0.053 0.851 -0.426 1.00 0.00 C HETATM 27 N2 UNL 1 0.153 1.845 0.392 1.00 0.00 N HETATM 28 O8 UNL 1 -0.365 1.185 -1.728 1.00 0.00 O HETATM 29 H1 UNL 1 0.307 -1.701 -2.308 1.00 0.00 H HETATM 30 H2 UNL 1 1.341 -0.184 -2.554 1.00 0.00 H HETATM 31 H3 UNL 1 2.122 -1.779 -2.616 1.00 0.00 H HETATM 32 H4 UNL 1 1.551 -2.203 -0.242 1.00 0.00 H HETATM 33 H5 UNL 1 3.748 -0.314 -2.138 1.00 0.00 H HETATM 34 H6 UNL 1 6.072 1.074 -2.176 1.00 0.00 H HETATM 35 H7 UNL 1 7.691 2.419 -1.012 1.00 0.00 H HETATM 36 H8 UNL 1 7.370 2.972 1.329 1.00 0.00 H HETATM 37 H9 UNL 1 5.302 2.106 2.521 1.00 0.00 H HETATM 38 H10 UNL 1 -1.865 -0.213 -0.364 1.00 0.00 H HETATM 39 H11 UNL 1 -3.489 0.613 0.015 1.00 0.00 H HETATM 40 H12 UNL 1 -5.606 2.238 0.513 1.00 0.00 H HETATM 41 H13 UNL 1 -4.592 -1.487 1.949 1.00 0.00 H HETATM 42 H14 UNL 1 -6.394 -0.497 1.412 1.00 0.00 H HETATM 43 H15 UNL 1 -4.042 -1.300 -1.029 1.00 0.00 H HETATM 44 H16 UNL 1 -5.460 -2.850 -0.840 1.00 0.00 H HETATM 45 H17 UNL 1 -2.343 -2.935 0.930 1.00 0.00 H HETATM 46 H18 UNL 1 -2.186 -1.930 -1.765 1.00 0.00 H HETATM 47 H19 UNL 1 0.446 1.772 1.378 1.00 0.00 H HETATM 48 H20 UNL 1 -1.268 1.632 -1.886 1.00 0.00 H CONECT 1 2 29 30 31 CONECT 2 3 12 32 CONECT 3 4 4 11 CONECT 4 5 33 CONECT 5 6 6 10 CONECT 6 7 34 CONECT 7 8 8 35 CONECT 8 9 36 CONECT 9 10 10 37 CONECT 10 11 CONECT 12 13 26 CONECT 13 14 CONECT 14 15 24 38 CONECT 15 16 CONECT 16 17 20 39 CONECT 17 18 18 19 CONECT 19 40 CONECT 20 21 22 41 CONECT 21 42 CONECT 22 23 24 43 CONECT 23 44 CONECT 24 25 45 CONECT 25 46 CONECT 26 27 27 28 CONECT 27 47 CONECT 28 48 END