COMPND HMDB0256534 HETATM 1 O1 UNL 1 -6.417 2.985 0.603 1.00 0.00 O HETATM 2 S1 UNL 1 -5.298 2.435 -0.241 1.00 0.00 S HETATM 3 O2 UNL 1 -5.655 2.495 -1.699 1.00 0.00 O HETATM 4 O3 UNL 1 -3.913 3.365 0.083 1.00 0.00 O HETATM 5 O4 UNL 1 -4.924 0.844 0.244 1.00 0.00 O HETATM 6 C1 UNL 1 -3.661 0.331 -0.005 1.00 0.00 C HETATM 7 C2 UNL 1 -2.663 0.489 0.929 1.00 0.00 C HETATM 8 C3 UNL 1 -1.412 -0.034 0.651 1.00 0.00 C HETATM 9 C4 UNL 1 -1.125 -0.708 -0.524 1.00 0.00 C HETATM 10 C5 UNL 1 0.199 -1.283 -0.814 1.00 0.00 C HETATM 11 C6 UNL 1 1.328 -0.341 -0.568 1.00 0.00 C HETATM 12 C7 UNL 1 1.702 0.602 -1.513 1.00 0.00 C HETATM 13 C8 UNL 1 2.744 1.478 -1.309 1.00 0.00 C HETATM 14 C9 UNL 1 3.463 1.450 -0.141 1.00 0.00 C HETATM 15 O5 UNL 1 4.502 2.318 0.073 1.00 0.00 O HETATM 16 S2 UNL 1 4.119 3.821 0.817 1.00 0.00 S HETATM 17 O6 UNL 1 5.267 4.728 0.581 1.00 0.00 O HETATM 18 O7 UNL 1 3.794 3.626 2.264 1.00 0.00 O HETATM 19 O8 UNL 1 2.717 4.413 0.072 1.00 0.00 O HETATM 20 C10 UNL 1 3.115 0.528 0.812 1.00 0.00 C HETATM 21 C11 UNL 1 2.057 -0.356 0.593 1.00 0.00 C HETATM 22 C12 UNL 1 0.424 -2.631 -0.273 1.00 0.00 C HETATM 23 C13 UNL 1 0.175 -2.949 1.040 1.00 0.00 C HETATM 24 C14 UNL 1 0.427 -4.245 1.502 1.00 0.00 C HETATM 25 C15 UNL 1 0.920 -5.163 0.606 1.00 0.00 C HETATM 26 C16 UNL 1 1.167 -4.839 -0.709 1.00 0.00 C HETATM 27 N1 UNL 1 0.911 -3.587 -1.105 1.00 0.00 N HETATM 28 C17 UNL 1 -2.138 -0.851 -1.438 1.00 0.00 C HETATM 29 C18 UNL 1 -3.385 -0.337 -1.177 1.00 0.00 C HETATM 30 H1 UNL 1 -4.126 4.331 0.058 1.00 0.00 H HETATM 31 H2 UNL 1 -2.861 1.021 1.873 1.00 0.00 H HETATM 32 H3 UNL 1 -0.632 0.107 1.394 1.00 0.00 H HETATM 33 H4 UNL 1 0.185 -1.429 -1.958 1.00 0.00 H HETATM 34 H5 UNL 1 1.136 0.624 -2.432 1.00 0.00 H HETATM 35 H6 UNL 1 3.013 2.201 -2.062 1.00 0.00 H HETATM 36 H7 UNL 1 2.826 5.390 -0.050 1.00 0.00 H HETATM 37 H8 UNL 1 3.660 0.472 1.753 1.00 0.00 H HETATM 38 H9 UNL 1 1.832 -1.070 1.392 1.00 0.00 H HETATM 39 H10 UNL 1 -0.218 -2.187 1.680 1.00 0.00 H HETATM 40 H11 UNL 1 0.217 -4.444 2.536 1.00 0.00 H HETATM 41 H12 UNL 1 1.119 -6.164 0.946 1.00 0.00 H HETATM 42 H13 UNL 1 1.562 -5.600 -1.398 1.00 0.00 H HETATM 43 H14 UNL 1 -1.962 -1.376 -2.381 1.00 0.00 H HETATM 44 H15 UNL 1 -4.192 -0.459 -1.921 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 3 4 5 CONECT 4 30 CONECT 5 6 CONECT 6 7 7 29 CONECT 7 8 31 CONECT 8 9 9 32 CONECT 9 10 28 CONECT 10 11 22 33 CONECT 11 12 12 21 CONECT 12 13 34 CONECT 13 14 14 35 CONECT 14 15 20 CONECT 15 16 CONECT 16 17 17 18 18 CONECT 16 19 CONECT 19 36 CONECT 20 21 21 37 CONECT 21 38 CONECT 22 23 23 27 CONECT 23 24 39 CONECT 24 25 25 40 CONECT 25 26 41 CONECT 26 27 27 42 CONECT 28 29 29 43 CONECT 29 44 END