COMPND HMDB0240468 HETATM 1 C1 UNL 1 6.003 -2.468 -0.853 1.00 0.00 C HETATM 2 O1 UNL 1 5.162 -2.393 0.272 1.00 0.00 O HETATM 3 C2 UNL 1 3.803 -2.121 0.222 1.00 0.00 C HETATM 4 C3 UNL 1 3.128 -1.890 -0.962 1.00 0.00 C HETATM 5 C4 UNL 1 1.771 -1.621 -0.986 1.00 0.00 C HETATM 6 C5 UNL 1 1.018 -1.569 0.168 1.00 0.00 C HETATM 7 C6 UNL 1 -0.426 -1.285 0.215 1.00 0.00 C HETATM 8 O2 UNL 1 -0.696 -0.396 1.271 1.00 0.00 O HETATM 9 C7 UNL 1 -1.566 0.679 1.204 1.00 0.00 C HETATM 10 C8 UNL 1 -1.548 1.664 2.202 1.00 0.00 C HETATM 11 C9 UNL 1 -2.411 2.732 2.136 1.00 0.00 C HETATM 12 O3 UNL 1 -2.426 3.726 3.100 1.00 0.00 O HETATM 13 C10 UNL 1 -3.297 2.822 1.075 1.00 0.00 C HETATM 14 C11 UNL 1 -3.306 1.838 0.089 1.00 0.00 C HETATM 15 O4 UNL 1 -4.181 1.903 -0.984 1.00 0.00 O HETATM 16 S1 UNL 1 -3.757 2.699 -2.439 1.00 0.00 S HETATM 17 O5 UNL 1 -4.176 4.124 -2.308 1.00 0.00 O HETATM 18 O6 UNL 1 -4.482 2.101 -3.616 1.00 0.00 O HETATM 19 O7 UNL 1 -2.101 2.546 -2.651 1.00 0.00 O HETATM 20 C12 UNL 1 -2.443 0.768 0.153 1.00 0.00 C HETATM 21 C13 UNL 1 -2.429 -0.296 -0.879 1.00 0.00 C HETATM 22 C14 UNL 1 -0.967 -0.681 -1.045 1.00 0.00 C HETATM 23 O8 UNL 1 -0.204 0.364 -1.530 1.00 0.00 O HETATM 24 C15 UNL 1 1.682 -1.798 1.357 1.00 0.00 C HETATM 25 C16 UNL 1 3.034 -2.066 1.382 1.00 0.00 C HETATM 26 O9 UNL 1 3.734 -2.301 2.570 1.00 0.00 O HETATM 27 H1 UNL 1 5.672 -1.871 -1.711 1.00 0.00 H HETATM 28 H2 UNL 1 7.068 -2.283 -0.594 1.00 0.00 H HETATM 29 H3 UNL 1 5.981 -3.552 -1.176 1.00 0.00 H HETATM 30 H4 UNL 1 3.659 -1.916 -1.917 1.00 0.00 H HETATM 31 H5 UNL 1 1.232 -1.439 -1.906 1.00 0.00 H HETATM 32 H6 UNL 1 -1.006 -2.211 0.423 1.00 0.00 H HETATM 33 H7 UNL 1 -0.840 1.558 3.016 1.00 0.00 H HETATM 34 H8 UNL 1 -3.005 3.700 3.939 1.00 0.00 H HETATM 35 H9 UNL 1 -3.970 3.649 1.019 1.00 0.00 H HETATM 36 H10 UNL 1 -1.691 3.334 -3.086 1.00 0.00 H HETATM 37 H11 UNL 1 -2.874 0.039 -1.831 1.00 0.00 H HETATM 38 H12 UNL 1 -2.948 -1.214 -0.499 1.00 0.00 H HETATM 39 H13 UNL 1 -0.952 -1.473 -1.821 1.00 0.00 H HETATM 40 H14 UNL 1 0.409 0.637 -0.781 1.00 0.00 H HETATM 41 H15 UNL 1 1.125 -1.768 2.308 1.00 0.00 H HETATM 42 H16 UNL 1 3.220 -2.271 3.441 1.00 0.00 H CONECT 1 2 27 28 29 CONECT 2 3 CONECT 3 4 4 25 CONECT 4 5 30 CONECT 5 6 6 31 CONECT 6 7 24 CONECT 7 8 22 32 CONECT 8 9 CONECT 9 10 10 20 CONECT 10 11 33 CONECT 11 12 13 13 CONECT 12 34 CONECT 13 14 35 CONECT 14 15 20 20 CONECT 15 16 CONECT 16 17 17 18 18 CONECT 16 19 CONECT 19 36 CONECT 20 21 CONECT 21 22 37 38 CONECT 22 23 39 CONECT 23 40 CONECT 24 25 25 41 CONECT 25 26 CONECT 26 42 END