COMPND HMDB0252327 HETATM 1 C1 UNL 1 -5.102 -2.084 1.248 1.00 0.00 C HETATM 2 C2 UNL 1 -3.791 -2.725 0.786 1.00 0.00 C HETATM 3 C3 UNL 1 -3.918 -3.363 -0.537 1.00 0.00 C HETATM 4 C4 UNL 1 -2.689 -1.718 0.961 1.00 0.00 C HETATM 5 C5 UNL 1 -1.407 -2.281 0.532 1.00 0.00 C HETATM 6 O1 UNL 1 -1.314 -3.386 -0.063 1.00 0.00 O HETATM 7 O2 UNL 1 -0.171 -1.644 0.744 1.00 0.00 O HETATM 8 C6 UNL 1 1.051 -2.209 0.320 1.00 0.00 C HETATM 9 C7 UNL 1 1.834 -2.475 1.536 1.00 0.00 C HETATM 10 N1 UNL 1 2.441 -2.691 2.504 1.00 0.00 N HETATM 11 C8 UNL 1 1.827 -1.329 -0.567 1.00 0.00 C HETATM 12 C9 UNL 1 1.243 -0.644 -1.611 1.00 0.00 C HETATM 13 C10 UNL 1 2.005 0.184 -2.435 1.00 0.00 C HETATM 14 C11 UNL 1 3.342 0.339 -2.235 1.00 0.00 C HETATM 15 C12 UNL 1 3.950 -0.341 -1.192 1.00 0.00 C HETATM 16 O3 UNL 1 5.316 -0.161 -1.015 1.00 0.00 O HETATM 17 C13 UNL 1 5.848 0.833 -0.211 1.00 0.00 C HETATM 18 C14 UNL 1 6.130 2.053 -0.756 1.00 0.00 C HETATM 19 C15 UNL 1 6.663 3.025 0.084 1.00 0.00 C HETATM 20 C16 UNL 1 6.887 2.743 1.402 1.00 0.00 C HETATM 21 C17 UNL 1 6.601 1.513 1.938 1.00 0.00 C HETATM 22 C18 UNL 1 6.078 0.546 1.134 1.00 0.00 C HETATM 23 C19 UNL 1 3.183 -1.156 -0.385 1.00 0.00 C HETATM 24 C20 UNL 1 -2.999 -0.384 0.383 1.00 0.00 C HETATM 25 C21 UNL 1 -3.447 0.690 1.158 1.00 0.00 C HETATM 26 C22 UNL 1 -3.730 1.929 0.648 1.00 0.00 C HETATM 27 C23 UNL 1 -3.585 2.178 -0.678 1.00 0.00 C HETATM 28 O4 UNL 1 -3.865 3.416 -1.216 1.00 0.00 O HETATM 29 C24 UNL 1 -4.311 4.534 -0.525 1.00 0.00 C HETATM 30 F1 UNL 1 -5.478 4.998 -1.127 1.00 0.00 F HETATM 31 F2 UNL 1 -3.398 5.586 -0.701 1.00 0.00 F HETATM 32 C25 UNL 1 -3.141 1.127 -1.477 1.00 0.00 C HETATM 33 C26 UNL 1 -2.856 -0.119 -0.961 1.00 0.00 C HETATM 34 H1 UNL 1 -5.891 -2.837 1.091 1.00 0.00 H HETATM 35 H2 UNL 1 -5.287 -1.122 0.761 1.00 0.00 H HETATM 36 H3 UNL 1 -5.000 -1.931 2.341 1.00 0.00 H HETATM 37 H4 UNL 1 -3.598 -3.520 1.562 1.00 0.00 H HETATM 38 H5 UNL 1 -3.224 -3.078 -1.319 1.00 0.00 H HETATM 39 H6 UNL 1 -4.997 -3.255 -0.857 1.00 0.00 H HETATM 40 H7 UNL 1 -3.816 -4.488 -0.446 1.00 0.00 H HETATM 41 H8 UNL 1 -2.701 -1.528 2.089 1.00 0.00 H HETATM 42 H9 UNL 1 0.924 -3.187 -0.185 1.00 0.00 H HETATM 43 H10 UNL 1 0.182 -0.755 -1.784 1.00 0.00 H HETATM 44 H11 UNL 1 1.510 0.699 -3.236 1.00 0.00 H HETATM 45 H12 UNL 1 3.950 0.979 -2.867 1.00 0.00 H HETATM 46 H13 UNL 1 5.931 2.214 -1.795 1.00 0.00 H HETATM 47 H14 UNL 1 6.880 3.984 -0.360 1.00 0.00 H HETATM 48 H15 UNL 1 7.308 3.529 2.037 1.00 0.00 H HETATM 49 H16 UNL 1 6.784 1.307 2.980 1.00 0.00 H HETATM 50 H17 UNL 1 5.834 -0.432 1.494 1.00 0.00 H HETATM 51 H18 UNL 1 3.658 -1.673 0.413 1.00 0.00 H HETATM 52 H19 UNL 1 -3.573 0.521 2.229 1.00 0.00 H HETATM 53 H20 UNL 1 -4.070 2.671 1.368 1.00 0.00 H HETATM 54 H21 UNL 1 -4.459 4.437 0.548 1.00 0.00 H HETATM 55 H22 UNL 1 -3.032 1.344 -2.533 1.00 0.00 H HETATM 56 H23 UNL 1 -2.514 -0.859 -1.671 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 4 37 CONECT 3 38 39 40 CONECT 4 5 24 41 CONECT 5 6 6 7 CONECT 7 8 CONECT 8 9 11 42 CONECT 9 10 10 10 CONECT 11 12 12 23 CONECT 12 13 43 CONECT 13 14 14 44 CONECT 14 15 45 CONECT 15 16 23 23 CONECT 16 17 CONECT 17 18 18 22 CONECT 18 19 46 CONECT 19 20 20 47 CONECT 20 21 48 CONECT 21 22 22 49 CONECT 22 50 CONECT 23 51 CONECT 24 25 25 33 CONECT 25 26 52 CONECT 26 27 27 53 CONECT 27 28 32 CONECT 28 29 CONECT 29 30 31 54 CONECT 32 33 33 55 CONECT 33 56 END