COMPND HMDB0252595 HETATM 1 O1 UNL 1 -2.506 -2.279 -1.993 1.00 0.00 O HETATM 2 C1 UNL 1 -3.312 -1.163 -1.800 1.00 0.00 C HETATM 3 C2 UNL 1 -2.790 -0.311 -0.660 1.00 0.00 C HETATM 4 O2 UNL 1 -1.509 0.087 -0.994 1.00 0.00 O HETATM 5 C3 UNL 1 -0.908 0.860 -0.002 1.00 0.00 C HETATM 6 O3 UNL 1 -0.634 0.140 1.134 1.00 0.00 O HETATM 7 C4 UNL 1 0.661 -0.058 1.475 1.00 0.00 C HETATM 8 C5 UNL 1 1.510 -0.868 0.532 1.00 0.00 C HETATM 9 O4 UNL 1 1.623 -0.338 -0.711 1.00 0.00 O HETATM 10 C6 UNL 1 2.709 -0.723 -1.443 1.00 0.00 C HETATM 11 O5 UNL 1 2.590 -2.071 -1.793 1.00 0.00 O HETATM 12 C7 UNL 1 4.031 -0.426 -0.779 1.00 0.00 C HETATM 13 O6 UNL 1 4.659 0.695 -1.338 1.00 0.00 O HETATM 14 C8 UNL 1 3.871 -0.174 0.705 1.00 0.00 C HETATM 15 O7 UNL 1 3.412 1.123 0.855 1.00 0.00 O HETATM 16 C9 UNL 1 2.832 -1.145 1.208 1.00 0.00 C HETATM 17 O8 UNL 1 3.250 -2.457 1.020 1.00 0.00 O HETATM 18 C10 UNL 1 -1.703 2.119 0.273 1.00 0.00 C HETATM 19 O9 UNL 1 -1.254 2.721 1.431 1.00 0.00 O HETATM 20 C11 UNL 1 -3.169 1.878 0.406 1.00 0.00 C HETATM 21 O10 UNL 1 -3.416 1.508 1.739 1.00 0.00 O HETATM 22 C12 UNL 1 -3.731 0.884 -0.551 1.00 0.00 C HETATM 23 O11 UNL 1 -4.949 0.445 -0.090 1.00 0.00 O HETATM 24 H1 UNL 1 -3.018 -3.098 -1.731 1.00 0.00 H HETATM 25 H2 UNL 1 -4.379 -1.431 -1.667 1.00 0.00 H HETATM 26 H3 UNL 1 -3.231 -0.551 -2.724 1.00 0.00 H HETATM 27 H4 UNL 1 -2.833 -0.942 0.249 1.00 0.00 H HETATM 28 H5 UNL 1 0.044 1.203 -0.441 1.00 0.00 H HETATM 29 H6 UNL 1 1.226 0.902 1.635 1.00 0.00 H HETATM 30 H7 UNL 1 0.651 -0.526 2.506 1.00 0.00 H HETATM 31 H8 UNL 1 1.021 -1.886 0.408 1.00 0.00 H HETATM 32 H9 UNL 1 2.701 -0.156 -2.399 1.00 0.00 H HETATM 33 H10 UNL 1 3.491 -2.447 -1.848 1.00 0.00 H HETATM 34 H11 UNL 1 4.674 -1.322 -0.904 1.00 0.00 H HETATM 35 H12 UNL 1 4.944 0.523 -2.279 1.00 0.00 H HETATM 36 H13 UNL 1 4.832 -0.282 1.236 1.00 0.00 H HETATM 37 H14 UNL 1 3.327 1.616 0.024 1.00 0.00 H HETATM 38 H15 UNL 1 2.703 -0.990 2.293 1.00 0.00 H HETATM 39 H16 UNL 1 2.443 -3.028 1.071 1.00 0.00 H HETATM 40 H17 UNL 1 -1.515 2.827 -0.569 1.00 0.00 H HETATM 41 H18 UNL 1 -0.920 2.020 2.067 1.00 0.00 H HETATM 42 H19 UNL 1 -3.681 2.868 0.222 1.00 0.00 H HETATM 43 H20 UNL 1 -4.292 1.887 1.993 1.00 0.00 H HETATM 44 H21 UNL 1 -3.795 1.325 -1.561 1.00 0.00 H HETATM 45 H22 UNL 1 -5.661 1.040 -0.432 1.00 0.00 H CONECT 1 2 24 CONECT 2 3 25 26 CONECT 3 4 22 27 CONECT 4 5 CONECT 5 6 18 28 CONECT 6 7 CONECT 7 8 29 30 CONECT 8 9 16 31 CONECT 9 10 CONECT 10 11 12 32 CONECT 11 33 CONECT 12 13 14 34 CONECT 13 35 CONECT 14 15 16 36 CONECT 15 37 CONECT 16 17 38 CONECT 17 39 CONECT 18 19 20 40 CONECT 19 41 CONECT 20 21 22 42 CONECT 21 43 CONECT 22 23 44 CONECT 23 45 END