COMPND HMDB0248768 HETATM 1 C1 UNL 1 5.748 0.212 -0.312 1.00 0.00 C HETATM 2 N1 UNL 1 4.320 0.328 -0.424 1.00 0.00 N HETATM 3 C2 UNL 1 3.723 0.921 -1.563 1.00 0.00 C HETATM 4 O1 UNL 1 4.355 1.653 -2.352 1.00 0.00 O HETATM 5 C3 UNL 1 2.287 0.655 -1.820 1.00 0.00 C HETATM 6 O2 UNL 1 1.562 0.541 -0.612 1.00 0.00 O HETATM 7 C4 UNL 1 2.144 -0.048 0.519 1.00 0.00 C HETATM 8 C5 UNL 1 1.364 -0.531 1.556 1.00 0.00 C HETATM 9 C6 UNL 1 -0.069 -0.403 1.422 1.00 0.00 C HETATM 10 O3 UNL 1 -0.885 -0.873 2.436 1.00 0.00 O HETATM 11 N2 UNL 1 -0.624 0.133 0.394 1.00 0.00 N HETATM 12 C7 UNL 1 -2.034 0.241 0.300 1.00 0.00 C HETATM 13 C8 UNL 1 -2.511 1.593 -0.188 1.00 0.00 C HETATM 14 N3 UNL 1 -3.914 1.427 -0.545 1.00 0.00 N HETATM 15 C9 UNL 1 -4.557 0.413 0.268 1.00 0.00 C HETATM 16 C10 UNL 1 -4.085 -0.992 -0.127 1.00 0.00 C HETATM 17 C11 UNL 1 -2.652 -0.795 -0.632 1.00 0.00 C HETATM 18 C12 UNL 1 -2.799 -0.137 -2.007 1.00 0.00 C HETATM 19 C13 UNL 1 -3.908 0.898 -1.917 1.00 0.00 C HETATM 20 C14 UNL 1 1.888 -1.117 2.688 1.00 0.00 C HETATM 21 C15 UNL 1 3.260 -1.217 2.770 1.00 0.00 C HETATM 22 CL1 UNL 1 3.952 -1.960 4.201 1.00 0.00 CL HETATM 23 C16 UNL 1 4.088 -0.751 1.763 1.00 0.00 C HETATM 24 C17 UNL 1 3.510 -0.168 0.643 1.00 0.00 C HETATM 25 H1 UNL 1 6.245 0.528 -1.252 1.00 0.00 H HETATM 26 H2 UNL 1 6.061 -0.819 -0.041 1.00 0.00 H HETATM 27 H3 UNL 1 6.161 0.872 0.496 1.00 0.00 H HETATM 28 H4 UNL 1 2.244 -0.287 -2.418 1.00 0.00 H HETATM 29 H5 UNL 1 1.815 1.441 -2.438 1.00 0.00 H HETATM 30 H6 UNL 1 -1.561 -1.602 2.166 1.00 0.00 H HETATM 31 H7 UNL 1 -2.480 0.104 1.314 1.00 0.00 H HETATM 32 H8 UNL 1 -2.475 2.334 0.640 1.00 0.00 H HETATM 33 H9 UNL 1 -1.907 1.924 -1.063 1.00 0.00 H HETATM 34 H10 UNL 1 -4.475 0.587 1.341 1.00 0.00 H HETATM 35 H11 UNL 1 -5.637 0.443 0.009 1.00 0.00 H HETATM 36 H12 UNL 1 -4.722 -1.431 -0.895 1.00 0.00 H HETATM 37 H13 UNL 1 -4.041 -1.597 0.812 1.00 0.00 H HETATM 38 H14 UNL 1 -2.089 -1.727 -0.670 1.00 0.00 H HETATM 39 H15 UNL 1 -1.862 0.328 -2.344 1.00 0.00 H HETATM 40 H16 UNL 1 -3.175 -0.911 -2.733 1.00 0.00 H HETATM 41 H17 UNL 1 -3.792 1.701 -2.664 1.00 0.00 H HETATM 42 H18 UNL 1 -4.909 0.406 -2.038 1.00 0.00 H HETATM 43 H19 UNL 1 1.272 -1.494 3.497 1.00 0.00 H HETATM 44 H20 UNL 1 5.164 -0.826 1.821 1.00 0.00 H CONECT 1 2 25 26 27 CONECT 2 3 24 CONECT 3 4 4 5 CONECT 5 6 28 29 CONECT 6 7 CONECT 7 8 8 24 CONECT 8 9 20 CONECT 9 10 11 11 CONECT 10 30 CONECT 11 12 CONECT 12 13 17 31 CONECT 13 14 32 33 CONECT 14 15 19 CONECT 15 16 34 35 CONECT 16 17 36 37 CONECT 17 18 38 CONECT 18 19 39 40 CONECT 19 41 42 CONECT 20 21 21 43 CONECT 21 22 23 CONECT 23 24 24 44 END