COMPND HMDB0125149 HETATM 1 O1 UNL 1 4.991 1.426 0.329 1.00 0.00 O HETATM 2 C1 UNL 1 5.535 0.326 0.069 1.00 0.00 C HETATM 3 O2 UNL 1 6.836 0.299 -0.405 1.00 0.00 O HETATM 4 C2 UNL 1 4.793 -0.918 0.268 1.00 0.00 C HETATM 5 C3 UNL 1 3.419 -0.675 0.780 1.00 0.00 C HETATM 6 C4 UNL 1 3.136 -0.617 2.131 1.00 0.00 C HETATM 7 C5 UNL 1 1.849 -0.389 2.549 1.00 0.00 C HETATM 8 C6 UNL 1 0.780 -0.209 1.673 1.00 0.00 C HETATM 9 O3 UNL 1 -0.490 0.016 2.182 1.00 0.00 O HETATM 10 C7 UNL 1 1.057 -0.266 0.329 1.00 0.00 C HETATM 11 O4 UNL 1 0.128 -0.110 -0.623 1.00 0.00 O HETATM 12 C8 UNL 1 -1.212 0.121 -0.680 1.00 0.00 C HETATM 13 O5 UNL 1 -1.840 -0.966 -1.336 1.00 0.00 O HETATM 14 C9 UNL 1 -3.183 -0.993 -1.023 1.00 0.00 C HETATM 15 C10 UNL 1 -3.439 -1.630 0.292 1.00 0.00 C HETATM 16 O6 UNL 1 -4.623 -1.718 0.699 1.00 0.00 O HETATM 17 O7 UNL 1 -2.437 -2.137 1.100 1.00 0.00 O HETATM 18 C11 UNL 1 -3.818 0.385 -1.123 1.00 0.00 C HETATM 19 O8 UNL 1 -3.894 1.035 0.083 1.00 0.00 O HETATM 20 C12 UNL 1 -2.990 1.184 -2.093 1.00 0.00 C HETATM 21 O9 UNL 1 -2.932 0.560 -3.342 1.00 0.00 O HETATM 22 C13 UNL 1 -1.609 1.339 -1.494 1.00 0.00 C HETATM 23 O10 UNL 1 -1.693 2.439 -0.609 1.00 0.00 O HETATM 24 C14 UNL 1 2.379 -0.499 -0.087 1.00 0.00 C HETATM 25 H1 UNL 1 7.488 1.023 -0.086 1.00 0.00 H HETATM 26 H2 UNL 1 5.308 -1.528 1.064 1.00 0.00 H HETATM 27 H3 UNL 1 4.720 -1.531 -0.656 1.00 0.00 H HETATM 28 H4 UNL 1 3.970 -0.758 2.804 1.00 0.00 H HETATM 29 H5 UNL 1 1.641 -0.346 3.622 1.00 0.00 H HETATM 30 H6 UNL 1 -0.636 0.048 3.161 1.00 0.00 H HETATM 31 H7 UNL 1 -1.721 0.203 0.288 1.00 0.00 H HETATM 32 H8 UNL 1 -3.679 -1.594 -1.843 1.00 0.00 H HETATM 33 H9 UNL 1 -2.372 -2.005 2.085 1.00 0.00 H HETATM 34 H10 UNL 1 -4.866 0.306 -1.525 1.00 0.00 H HETATM 35 H11 UNL 1 -4.667 1.647 0.136 1.00 0.00 H HETATM 36 H12 UNL 1 -3.454 2.192 -2.164 1.00 0.00 H HETATM 37 H13 UNL 1 -2.435 1.185 -3.932 1.00 0.00 H HETATM 38 H14 UNL 1 -0.892 1.590 -2.273 1.00 0.00 H HETATM 39 H15 UNL 1 -1.729 2.106 0.324 1.00 0.00 H HETATM 40 H16 UNL 1 2.581 -0.542 -1.155 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 25 CONECT 4 5 26 27 CONECT 5 6 6 24 CONECT 6 7 28 CONECT 7 8 8 29 CONECT 8 9 10 CONECT 9 30 CONECT 10 11 24 24 CONECT 11 12 CONECT 12 13 22 31 CONECT 13 14 CONECT 14 15 18 32 CONECT 15 16 16 17 CONECT 17 33 CONECT 18 19 20 34 CONECT 19 35 CONECT 20 21 22 36 CONECT 21 37 CONECT 22 23 38 CONECT 23 39 CONECT 24 40 END