COMPND HMDB0001913 HETATM 1 C1 UNL 1 7.610 1.810 0.221 1.00 0.00 C HETATM 2 O1 UNL 1 7.483 0.432 0.000 1.00 0.00 O HETATM 3 C2 UNL 1 6.213 -0.122 -0.134 1.00 0.00 C HETATM 4 C3 UNL 1 6.017 -1.470 -0.357 1.00 0.00 C HETATM 5 C4 UNL 1 4.718 -1.983 -0.491 1.00 0.00 C HETATM 6 C5 UNL 1 3.651 -1.145 -0.396 1.00 0.00 C HETATM 7 N1 UNL 1 2.312 -1.320 -0.460 1.00 0.00 N HETATM 8 C6 UNL 1 1.683 -0.158 -0.281 1.00 0.00 C HETATM 9 S1 UNL 1 -0.033 0.208 -0.228 1.00 0.00 S HETATM 10 O2 UNL 1 -0.282 1.367 0.718 1.00 0.00 O HETATM 11 C7 UNL 1 -0.920 -1.234 0.385 1.00 0.00 C HETATM 12 C8 UNL 1 -2.362 -0.935 0.547 1.00 0.00 C HETATM 13 N2 UNL 1 -2.879 -1.207 1.799 1.00 0.00 N HETATM 14 C9 UNL 1 -4.185 -1.014 2.046 1.00 0.00 C HETATM 15 C10 UNL 1 -5.053 -0.545 1.076 1.00 0.00 C HETATM 16 C11 UNL 1 -6.482 -0.367 1.371 1.00 0.00 C HETATM 17 C12 UNL 1 -4.512 -0.283 -0.152 1.00 0.00 C HETATM 18 O3 UNL 1 -5.294 0.204 -1.206 1.00 0.00 O HETATM 19 C13 UNL 1 -5.416 1.644 -1.333 1.00 0.00 C HETATM 20 C14 UNL 1 -3.162 -0.473 -0.440 1.00 0.00 C HETATM 21 C15 UNL 1 -2.598 -0.175 -1.779 1.00 0.00 C HETATM 22 N3 UNL 1 2.667 0.778 -0.102 1.00 0.00 N HETATM 23 C16 UNL 1 3.866 0.192 -0.171 1.00 0.00 C HETATM 24 C17 UNL 1 5.127 0.743 -0.035 1.00 0.00 C HETATM 25 H1 UNL 1 7.293 2.376 -0.659 1.00 0.00 H HETATM 26 H2 UNL 1 6.929 2.069 1.069 1.00 0.00 H HETATM 27 H3 UNL 1 8.623 2.150 0.500 1.00 0.00 H HETATM 28 H4 UNL 1 6.882 -2.127 -0.403 1.00 0.00 H HETATM 29 H5 UNL 1 4.649 -3.053 -0.681 1.00 0.00 H HETATM 30 H6 UNL 1 -0.711 -2.104 -0.263 1.00 0.00 H HETATM 31 H7 UNL 1 -0.477 -1.456 1.375 1.00 0.00 H HETATM 32 H8 UNL 1 -4.653 -1.212 3.025 1.00 0.00 H HETATM 33 H9 UNL 1 -6.783 -1.061 2.198 1.00 0.00 H HETATM 34 H10 UNL 1 -7.133 -0.616 0.514 1.00 0.00 H HETATM 35 H11 UNL 1 -6.707 0.650 1.768 1.00 0.00 H HETATM 36 H12 UNL 1 -5.178 2.108 -0.330 1.00 0.00 H HETATM 37 H13 UNL 1 -6.414 1.960 -1.612 1.00 0.00 H HETATM 38 H14 UNL 1 -4.663 2.058 -2.034 1.00 0.00 H HETATM 39 H15 UNL 1 -2.332 0.912 -1.886 1.00 0.00 H HETATM 40 H16 UNL 1 -1.780 -0.863 -2.047 1.00 0.00 H HETATM 41 H17 UNL 1 -3.397 -0.334 -2.524 1.00 0.00 H HETATM 42 H18 UNL 1 2.461 1.803 0.053 1.00 0.00 H HETATM 43 H19 UNL 1 5.220 1.794 0.141 1.00 0.00 H CONECT 1 2 25 26 27 CONECT 2 3 CONECT 3 4 4 24 CONECT 4 5 28 CONECT 5 6 6 29 CONECT 6 7 23 CONECT 7 8 8 CONECT 8 9 22 CONECT 9 10 10 11 CONECT 11 12 30 31 CONECT 12 13 13 20 CONECT 13 14 CONECT 14 15 15 32 CONECT 15 16 17 CONECT 16 33 34 35 CONECT 17 18 20 20 CONECT 18 19 CONECT 19 36 37 38 CONECT 20 21 CONECT 21 39 40 41 CONECT 22 23 42 CONECT 23 24 24 CONECT 24 43 END