COMPND HMDB0302901 HETATM 1 O1 UNL 1 -4.503 -2.043 1.894 1.00 0.00 O HETATM 2 C1 UNL 1 -3.409 -1.629 1.466 1.00 0.00 C HETATM 3 O2 UNL 1 -2.295 -2.273 1.552 1.00 0.00 O HETATM 4 C2 UNL 1 -1.129 -1.858 1.138 1.00 0.00 C HETATM 5 C3 UNL 1 0.010 -2.600 1.255 1.00 0.00 C HETATM 6 O3 UNL 1 -0.100 -3.883 1.802 1.00 0.00 O HETATM 7 C4 UNL 1 1.222 -2.124 0.857 1.00 0.00 C HETATM 8 O4 UNL 1 2.324 -2.820 0.933 1.00 0.00 O HETATM 9 C5 UNL 1 3.486 -2.351 0.567 1.00 0.00 C HETATM 10 O5 UNL 1 4.540 -3.043 0.638 1.00 0.00 O HETATM 11 C6 UNL 1 3.636 -1.050 0.072 1.00 0.00 C HETATM 12 C7 UNL 1 4.877 -0.509 -0.146 1.00 0.00 C HETATM 13 C8 UNL 1 4.955 0.857 -0.451 1.00 0.00 C HETATM 14 O6 UNL 1 6.230 1.346 -0.667 1.00 0.00 O HETATM 15 C9 UNL 1 3.810 1.604 -0.515 1.00 0.00 C HETATM 16 O7 UNL 1 3.918 2.956 -0.809 1.00 0.00 O HETATM 17 C10 UNL 1 2.550 1.056 -0.298 1.00 0.00 C HETATM 18 O8 UNL 1 1.483 1.781 -0.325 1.00 0.00 O HETATM 19 C11 UNL 1 0.265 1.286 -0.092 1.00 0.00 C HETATM 20 O9 UNL 1 -0.585 2.193 -0.120 1.00 0.00 O HETATM 21 C12 UNL 1 0.129 -0.040 0.193 1.00 0.00 C HETATM 22 C13 UNL 1 -1.074 -0.561 0.538 1.00 0.00 C HETATM 23 C14 UNL 1 -2.227 0.122 0.385 1.00 0.00 C HETATM 24 C15 UNL 1 -2.286 1.049 -0.703 1.00 0.00 C HETATM 25 O10 UNL 1 -1.271 1.563 -1.449 1.00 0.00 O HETATM 26 C16 UNL 1 -3.545 1.457 -1.130 1.00 0.00 C HETATM 27 O11 UNL 1 -3.641 2.389 -2.183 1.00 0.00 O HETATM 28 C17 UNL 1 -4.721 1.013 -0.596 1.00 0.00 C HETATM 29 O12 UNL 1 -5.955 1.451 -1.020 1.00 0.00 O HETATM 30 C18 UNL 1 -4.657 0.079 0.423 1.00 0.00 C HETATM 31 C19 UNL 1 -3.441 -0.326 0.835 1.00 0.00 C HETATM 32 C20 UNL 1 1.291 -0.819 0.339 1.00 0.00 C HETATM 33 C21 UNL 1 2.495 -0.312 -0.017 1.00 0.00 C HETATM 34 H1 UNL 1 -0.990 -4.253 2.102 1.00 0.00 H HETATM 35 H2 UNL 1 5.776 -1.118 -0.086 1.00 0.00 H HETATM 36 H3 UNL 1 6.374 2.315 -0.891 1.00 0.00 H HETATM 37 H4 UNL 1 4.738 3.475 -0.985 1.00 0.00 H HETATM 38 H5 UNL 1 -1.409 2.132 -2.268 1.00 0.00 H HETATM 39 H6 UNL 1 -4.533 2.710 -2.522 1.00 0.00 H HETATM 40 H7 UNL 1 -6.784 1.086 -0.583 1.00 0.00 H HETATM 41 H8 UNL 1 -5.555 -0.307 0.869 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 31 CONECT 3 4 CONECT 4 5 5 22 CONECT 5 6 7 CONECT 6 34 CONECT 7 8 32 32 CONECT 8 9 CONECT 9 10 10 11 CONECT 11 12 33 33 CONECT 12 13 13 35 CONECT 13 14 15 CONECT 14 36 CONECT 15 16 17 17 CONECT 16 37 CONECT 17 18 33 CONECT 18 19 CONECT 19 20 20 21 CONECT 21 22 22 32 CONECT 22 23 CONECT 23 24 24 31 CONECT 24 25 26 CONECT 25 38 CONECT 26 27 28 28 CONECT 27 39 CONECT 28 29 30 CONECT 29 40 CONECT 30 31 31 41 CONECT 32 33 END