COMPND HMDB0257940 HETATM 1 O1 UNL 1 -7.905 1.348 0.714 1.00 0.00 O HETATM 2 C1 UNL 1 -6.741 1.591 0.305 1.00 0.00 C HETATM 3 N1 UNL 1 -6.445 2.849 -0.050 1.00 0.00 N HETATM 4 C2 UNL 1 -5.210 3.125 -0.486 1.00 0.00 C HETATM 5 N2 UNL 1 -4.279 2.168 -0.571 1.00 0.00 N HETATM 6 C3 UNL 1 -4.510 0.873 -0.228 1.00 0.00 C HETATM 7 C4 UNL 1 -5.793 0.602 0.222 1.00 0.00 C HETATM 8 N3 UNL 1 -5.807 -0.728 0.505 1.00 0.00 N HETATM 9 C5 UNL 1 -4.585 -1.217 0.232 1.00 0.00 C HETATM 10 N4 UNL 1 -3.783 -0.248 -0.216 1.00 0.00 N HETATM 11 C6 UNL 1 -2.385 -0.283 -0.632 1.00 0.00 C HETATM 12 O2 UNL 1 -1.902 -1.564 -0.706 1.00 0.00 O HETATM 13 C7 UNL 1 -0.504 -1.340 -0.843 1.00 0.00 C HETATM 14 C8 UNL 1 0.257 -2.593 -0.758 1.00 0.00 C HETATM 15 S1 UNL 1 2.015 -2.428 -0.900 1.00 0.00 S HETATM 16 C9 UNL 1 2.935 -1.869 0.487 1.00 0.00 C HETATM 17 C10 UNL 1 3.991 -0.908 0.115 1.00 0.00 C HETATM 18 C11 UNL 1 3.921 0.455 0.210 1.00 0.00 C HETATM 19 C12 UNL 1 4.996 1.256 -0.158 1.00 0.00 C HETATM 20 C13 UNL 1 6.157 0.719 -0.626 1.00 0.00 C HETATM 21 N5 UNL 1 7.290 1.483 -1.003 1.00 0.00 N1+ HETATM 22 O3 UNL 1 7.286 2.737 -0.931 1.00 0.00 O HETATM 23 O4 UNL 1 8.442 0.895 -1.461 1.00 0.00 O1- HETATM 24 C14 UNL 1 6.253 -0.669 -0.733 1.00 0.00 C HETATM 25 C15 UNL 1 5.178 -1.436 -0.363 1.00 0.00 C HETATM 26 C16 UNL 1 -0.150 -0.299 0.122 1.00 0.00 C HETATM 27 O5 UNL 1 0.659 0.639 -0.550 1.00 0.00 O HETATM 28 C17 UNL 1 -1.503 0.377 0.396 1.00 0.00 C HETATM 29 O6 UNL 1 -1.934 0.036 1.651 1.00 0.00 O HETATM 30 H1 UNL 1 -7.179 3.622 0.016 1.00 0.00 H HETATM 31 H2 UNL 1 -4.952 4.146 -0.777 1.00 0.00 H HETATM 32 H3 UNL 1 -4.249 -2.235 0.340 1.00 0.00 H HETATM 33 H4 UNL 1 -2.270 0.177 -1.634 1.00 0.00 H HETATM 34 H5 UNL 1 -0.429 -0.959 -1.906 1.00 0.00 H HETATM 35 H6 UNL 1 -0.010 -3.182 0.179 1.00 0.00 H HETATM 36 H7 UNL 1 -0.110 -3.304 -1.583 1.00 0.00 H HETATM 37 H8 UNL 1 2.368 -1.395 1.317 1.00 0.00 H HETATM 38 H9 UNL 1 3.449 -2.786 0.948 1.00 0.00 H HETATM 39 H10 UNL 1 3.017 0.888 0.601 1.00 0.00 H HETATM 40 H11 UNL 1 4.907 2.351 -0.071 1.00 0.00 H HETATM 41 H12 UNL 1 7.181 -1.107 -1.103 1.00 0.00 H HETATM 42 H13 UNL 1 5.255 -2.513 -0.450 1.00 0.00 H HETATM 43 H14 UNL 1 0.227 -0.589 1.098 1.00 0.00 H HETATM 44 H15 UNL 1 0.234 0.786 -1.420 1.00 0.00 H HETATM 45 H16 UNL 1 -1.421 1.477 0.241 1.00 0.00 H HETATM 46 H17 UNL 1 -1.961 -0.948 1.708 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 7 CONECT 3 4 30 CONECT 4 5 5 31 CONECT 5 6 CONECT 6 7 7 10 CONECT 7 8 CONECT 8 9 9 CONECT 9 10 32 CONECT 10 11 CONECT 11 12 28 33 CONECT 12 13 CONECT 13 14 26 34 CONECT 14 15 35 36 CONECT 15 16 CONECT 16 17 37 38 CONECT 17 18 18 25 CONECT 18 19 39 CONECT 19 20 20 40 CONECT 20 21 24 CONECT 21 22 22 23 CONECT 24 25 25 41 CONECT 25 42 CONECT 26 27 28 43 CONECT 27 44 CONECT 28 29 45 CONECT 29 46 END