COMPND HMDB0257262 HETATM 1 C1 UNL 1 -3.763 -0.800 -2.729 1.00 0.00 C HETATM 2 N1 UNL 1 -3.486 -0.766 -1.295 1.00 0.00 N HETATM 3 C2 UNL 1 -2.401 -1.191 -0.670 1.00 0.00 C HETATM 4 C3 UNL 1 -2.518 -0.983 0.709 1.00 0.00 C HETATM 5 C4 UNL 1 -1.511 -1.314 1.682 1.00 0.00 C HETATM 6 C5 UNL 1 -0.202 -1.037 1.500 1.00 0.00 C HETATM 7 C6 UNL 1 0.410 -0.378 0.345 1.00 0.00 C HETATM 8 C7 UNL 1 1.482 -0.873 -0.379 1.00 0.00 C HETATM 9 N2 UNL 1 1.776 -0.000 -1.338 1.00 0.00 N HETATM 10 C8 UNL 1 2.828 -0.131 -2.328 1.00 0.00 C HETATM 11 C9 UNL 1 4.130 0.468 -1.852 1.00 0.00 C HETATM 12 C10 UNL 1 4.626 -0.234 -0.592 1.00 0.00 C HETATM 13 S1 UNL 1 6.165 0.566 -0.103 1.00 0.00 S HETATM 14 C11 UNL 1 6.905 -0.176 1.318 1.00 0.00 C HETATM 15 N3 UNL 1 7.976 0.330 1.817 1.00 0.00 N HETATM 16 N4 UNL 1 6.280 -1.320 1.873 1.00 0.00 N HETATM 17 C12 UNL 1 0.953 1.058 -1.291 1.00 0.00 C HETATM 18 C13 UNL 1 0.902 2.200 -2.084 1.00 0.00 C HETATM 19 C14 UNL 1 -0.064 3.136 -1.779 1.00 0.00 C HETATM 20 C15 UNL 1 -0.934 2.932 -0.732 1.00 0.00 C HETATM 21 C16 UNL 1 -0.858 1.770 0.049 1.00 0.00 C HETATM 22 C17 UNL 1 0.091 0.832 -0.238 1.00 0.00 C HETATM 23 C18 UNL 1 0.457 -1.536 2.692 1.00 0.00 C HETATM 24 O1 UNL 1 1.704 -1.452 2.882 1.00 0.00 O HETATM 25 N5 UNL 1 -0.544 -2.085 3.507 1.00 0.00 N HETATM 26 C19 UNL 1 -1.710 -1.980 2.962 1.00 0.00 C HETATM 27 O2 UNL 1 -2.906 -2.440 3.537 1.00 0.00 O HETATM 28 C20 UNL 1 -3.750 -0.401 0.880 1.00 0.00 C HETATM 29 C21 UNL 1 -4.431 0.045 1.995 1.00 0.00 C HETATM 30 C22 UNL 1 -5.683 0.607 1.845 1.00 0.00 C HETATM 31 C23 UNL 1 -6.269 0.733 0.596 1.00 0.00 C HETATM 32 C24 UNL 1 -5.581 0.285 -0.516 1.00 0.00 C HETATM 33 C25 UNL 1 -4.335 -0.276 -0.385 1.00 0.00 C HETATM 34 H1 UNL 1 -2.854 -0.622 -3.339 1.00 0.00 H HETATM 35 H2 UNL 1 -4.564 -0.075 -2.994 1.00 0.00 H HETATM 36 H3 UNL 1 -4.106 -1.828 -2.954 1.00 0.00 H HETATM 37 H4 UNL 1 -1.548 -1.637 -1.173 1.00 0.00 H HETATM 38 H5 UNL 1 1.950 -1.822 -0.145 1.00 0.00 H HETATM 39 H6 UNL 1 2.516 0.280 -3.304 1.00 0.00 H HETATM 40 H7 UNL 1 3.006 -1.216 -2.476 1.00 0.00 H HETATM 41 H8 UNL 1 4.890 0.215 -2.642 1.00 0.00 H HETATM 42 H9 UNL 1 4.089 1.535 -1.641 1.00 0.00 H HETATM 43 H10 UNL 1 4.749 -1.326 -0.773 1.00 0.00 H HETATM 44 H11 UNL 1 3.833 -0.121 0.171 1.00 0.00 H HETATM 45 H12 UNL 1 8.389 1.163 1.381 1.00 0.00 H HETATM 46 H13 UNL 1 6.184 -1.397 2.897 1.00 0.00 H HETATM 47 H14 UNL 1 5.932 -2.059 1.237 1.00 0.00 H HETATM 48 H15 UNL 1 1.600 2.356 -2.919 1.00 0.00 H HETATM 49 H16 UNL 1 -0.142 4.041 -2.369 1.00 0.00 H HETATM 50 H17 UNL 1 -1.698 3.671 -0.488 1.00 0.00 H HETATM 51 H18 UNL 1 -1.545 1.634 0.882 1.00 0.00 H HETATM 52 H19 UNL 1 -2.891 -3.204 4.201 1.00 0.00 H HETATM 53 H20 UNL 1 -3.994 -0.036 2.979 1.00 0.00 H HETATM 54 H21 UNL 1 -6.259 0.971 2.682 1.00 0.00 H HETATM 55 H22 UNL 1 -7.243 1.163 0.419 1.00 0.00 H HETATM 56 H23 UNL 1 -6.033 0.381 -1.511 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 33 CONECT 3 4 4 37 CONECT 4 5 28 CONECT 5 6 6 26 CONECT 6 7 23 CONECT 7 8 8 22 CONECT 8 9 38 CONECT 9 10 17 CONECT 10 11 39 40 CONECT 11 12 41 42 CONECT 12 13 43 44 CONECT 13 14 CONECT 14 15 15 16 CONECT 15 45 CONECT 16 46 47 CONECT 17 18 18 22 CONECT 18 19 48 CONECT 19 20 20 49 CONECT 20 21 50 CONECT 21 22 22 51 CONECT 23 24 24 25 CONECT 25 26 26 CONECT 26 27 CONECT 27 52 CONECT 28 29 29 33 CONECT 29 30 53 CONECT 30 31 31 54 CONECT 31 32 55 CONECT 32 33 33 56 END