COMPND HMDB0255857 HETATM 1 C1 UNL 1 5.081 0.605 -1.958 1.00 0.00 C HETATM 2 N1 UNL 1 6.183 1.163 -1.174 1.00 0.00 N HETATM 3 N2 UNL 1 6.982 2.148 -1.566 1.00 0.00 N HETATM 4 N3 UNL 1 7.851 2.386 -0.616 1.00 0.00 N HETATM 5 N4 UNL 1 7.641 1.578 0.396 1.00 0.00 N HETATM 6 C2 UNL 1 6.579 0.803 0.032 1.00 0.00 C HETATM 7 S1 UNL 1 5.963 -0.439 1.139 1.00 0.00 S HETATM 8 C3 UNL 1 4.609 -1.390 0.636 1.00 0.00 C HETATM 9 C4 UNL 1 3.232 -1.059 0.555 1.00 0.00 C HETATM 10 C5 UNL 1 2.596 -0.010 0.971 1.00 0.00 C HETATM 11 C6 UNL 1 3.177 1.094 1.658 1.00 0.00 C HETATM 12 O1 UNL 1 2.430 2.098 1.977 1.00 0.00 O HETATM 13 O2 UNL 1 4.453 1.258 2.055 1.00 0.00 O HETATM 14 N5 UNL 1 1.160 0.115 0.737 1.00 0.00 N HETATM 15 C7 UNL 1 -0.103 0.456 1.217 1.00 0.00 C HETATM 16 O3 UNL 1 -0.517 1.330 2.015 1.00 0.00 O HETATM 17 C8 UNL 1 -0.640 -0.652 0.367 1.00 0.00 C HETATM 18 N6 UNL 1 -1.968 -0.418 -0.138 1.00 0.00 N HETATM 19 C9 UNL 1 -3.032 -1.330 -0.016 1.00 0.00 C HETATM 20 O4 UNL 1 -2.897 -2.452 0.554 1.00 0.00 O HETATM 21 C10 UNL 1 -4.353 -1.007 -0.557 1.00 0.00 C HETATM 22 O5 UNL 1 -5.257 -2.113 -0.476 1.00 0.00 O HETATM 23 C11 UNL 1 -5.783 -2.651 -1.638 1.00 0.00 C HETATM 24 O6 UNL 1 -5.451 -2.151 -2.732 1.00 0.00 O HETATM 25 C12 UNL 1 -4.990 0.196 0.072 1.00 0.00 C HETATM 26 C13 UNL 1 -6.268 0.566 -0.305 1.00 0.00 C HETATM 27 C14 UNL 1 -6.882 1.652 0.257 1.00 0.00 C HETATM 28 C15 UNL 1 -6.248 2.409 1.213 1.00 0.00 C HETATM 29 C16 UNL 1 -4.987 2.029 1.573 1.00 0.00 C HETATM 30 C17 UNL 1 -4.351 0.946 1.026 1.00 0.00 C HETATM 31 C18 UNL 1 0.506 -0.218 -0.512 1.00 0.00 C HETATM 32 S2 UNL 1 1.387 -1.516 -1.384 1.00 0.00 S HETATM 33 C19 UNL 1 2.443 -2.221 -0.097 1.00 0.00 C HETATM 34 H1 UNL 1 5.069 1.090 -2.968 1.00 0.00 H HETATM 35 H2 UNL 1 4.105 0.749 -1.466 1.00 0.00 H HETATM 36 H3 UNL 1 5.263 -0.467 -2.109 1.00 0.00 H HETATM 37 H4 UNL 1 4.650 -2.365 1.315 1.00 0.00 H HETATM 38 H5 UNL 1 4.871 -1.969 -0.362 1.00 0.00 H HETATM 39 H6 UNL 1 4.777 1.678 2.921 1.00 0.00 H HETATM 40 H7 UNL 1 -0.498 -1.616 0.879 1.00 0.00 H HETATM 41 H8 UNL 1 -2.134 0.482 -0.628 1.00 0.00 H HETATM 42 H9 UNL 1 -4.231 -0.770 -1.630 1.00 0.00 H HETATM 43 H10 UNL 1 -6.474 -3.497 -1.570 1.00 0.00 H HETATM 44 H11 UNL 1 -6.777 -0.007 -1.044 1.00 0.00 H HETATM 45 H12 UNL 1 -7.898 1.929 -0.056 1.00 0.00 H HETATM 46 H13 UNL 1 -6.760 3.265 1.641 1.00 0.00 H HETATM 47 H14 UNL 1 -4.459 2.605 2.324 1.00 0.00 H HETATM 48 H15 UNL 1 -3.373 0.697 1.357 1.00 0.00 H HETATM 49 H16 UNL 1 0.221 0.613 -1.169 1.00 0.00 H HETATM 50 H17 UNL 1 1.927 -2.773 0.677 1.00 0.00 H HETATM 51 H18 UNL 1 3.175 -2.852 -0.603 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 6 CONECT 3 4 4 CONECT 4 5 CONECT 5 6 6 CONECT 6 7 CONECT 7 8 CONECT 8 9 37 38 CONECT 9 10 10 33 CONECT 10 11 14 CONECT 11 12 12 13 CONECT 13 39 CONECT 14 15 31 CONECT 15 16 16 17 CONECT 17 18 31 40 CONECT 18 19 41 CONECT 19 20 20 21 CONECT 21 22 25 42 CONECT 22 23 CONECT 23 24 24 43 CONECT 25 26 26 30 CONECT 26 27 44 CONECT 27 28 28 45 CONECT 28 29 46 CONECT 29 30 30 47 CONECT 30 48 CONECT 31 32 49 CONECT 32 33 CONECT 33 50 51 END