COMPND HMDB0252232 HETATM 1 O1 UNL 1 5.334 -2.583 -0.311 1.00 0.00 O HETATM 2 S1 UNL 1 5.060 -2.299 1.151 1.00 0.00 S HETATM 3 O2 UNL 1 4.840 -3.627 1.844 1.00 0.00 O HETATM 4 O3 UNL 1 6.377 -1.544 1.822 1.00 0.00 O HETATM 5 C1 UNL 1 3.625 -1.299 1.319 1.00 0.00 C HETATM 6 C2 UNL 1 3.497 -0.061 1.900 1.00 0.00 C HETATM 7 C3 UNL 1 2.170 0.278 1.767 1.00 0.00 C HETATM 8 C4 UNL 1 1.530 -0.767 1.107 1.00 0.00 C HETATM 9 C5 UNL 1 0.136 -0.915 0.719 1.00 0.00 C HETATM 10 N1 UNL 1 -0.575 -1.921 1.253 1.00 0.00 N HETATM 11 N2 UNL 1 -1.845 -2.120 0.949 1.00 0.00 N HETATM 12 C6 UNL 1 -2.439 -1.276 0.069 1.00 0.00 C HETATM 13 C7 UNL 1 -3.853 -1.495 -0.271 1.00 0.00 C HETATM 14 C8 UNL 1 -4.583 -2.524 0.276 1.00 0.00 C HETATM 15 C9 UNL 1 -5.909 -2.744 -0.032 1.00 0.00 C HETATM 16 C10 UNL 1 -6.539 -1.890 -0.933 1.00 0.00 C HETATM 17 C11 UNL 1 -5.786 -0.866 -1.466 1.00 0.00 C HETATM 18 N3 UNL 1 -4.473 -0.679 -1.138 1.00 0.00 N HETATM 19 N4 UNL 1 -1.739 -0.264 -0.474 1.00 0.00 N HETATM 20 C12 UNL 1 -0.450 -0.050 -0.174 1.00 0.00 C HETATM 21 C13 UNL 1 0.302 1.055 -0.771 1.00 0.00 C HETATM 22 C14 UNL 1 1.399 0.956 -1.581 1.00 0.00 C HETATM 23 C15 UNL 1 1.768 2.263 -1.901 1.00 0.00 C HETATM 24 C16 UNL 1 0.858 3.085 -1.256 1.00 0.00 C HETATM 25 S2 UNL 1 0.768 4.833 -1.251 1.00 0.00 S HETATM 26 O4 UNL 1 -0.540 5.256 -1.846 1.00 0.00 O HETATM 27 O5 UNL 1 0.850 5.338 0.178 1.00 0.00 O HETATM 28 O6 UNL 1 2.000 5.474 -2.185 1.00 0.00 O HETATM 29 O7 UNL 1 0.033 2.320 -0.616 1.00 0.00 O HETATM 30 O8 UNL 1 2.448 -1.677 0.867 1.00 0.00 O HETATM 31 H1 UNL 1 7.194 -1.677 1.268 1.00 0.00 H HETATM 32 H2 UNL 1 4.290 0.496 2.354 1.00 0.00 H HETATM 33 H3 UNL 1 1.676 1.182 2.100 1.00 0.00 H HETATM 34 H4 UNL 1 -4.114 -3.198 0.977 1.00 0.00 H HETATM 35 H5 UNL 1 -6.510 -3.541 0.378 1.00 0.00 H HETATM 36 H6 UNL 1 -7.569 -2.009 -1.212 1.00 0.00 H HETATM 37 H7 UNL 1 -6.282 -0.192 -2.178 1.00 0.00 H HETATM 38 H8 UNL 1 1.899 0.072 -1.920 1.00 0.00 H HETATM 39 H9 UNL 1 2.574 2.598 -2.510 1.00 0.00 H HETATM 40 H10 UNL 1 2.577 6.014 -1.603 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 3 4 5 CONECT 4 31 CONECT 5 6 6 30 CONECT 6 7 32 CONECT 7 8 8 33 CONECT 8 9 30 CONECT 9 10 10 20 CONECT 10 11 CONECT 11 12 12 CONECT 12 13 19 CONECT 13 14 14 18 CONECT 14 15 34 CONECT 15 16 16 35 CONECT 16 17 36 CONECT 17 18 18 37 CONECT 19 20 20 CONECT 20 21 CONECT 21 22 22 29 CONECT 22 23 38 CONECT 23 24 24 39 CONECT 24 25 29 CONECT 25 26 26 27 27 CONECT 25 28 CONECT 28 40 END