COMPND HMDB0014412 HETATM 1 C1 UNL 1 6.653 -1.662 2.849 1.00 0.00 C HETATM 2 O1 UNL 1 5.905 -2.356 1.839 1.00 0.00 O HETATM 3 N1 UNL 1 5.783 -1.702 0.642 1.00 0.00 N HETATM 4 C2 UNL 1 4.621 -1.385 0.144 1.00 0.00 C HETATM 5 C3 UNL 1 3.459 -1.756 0.915 1.00 0.00 C HETATM 6 O2 UNL 1 3.649 -2.366 2.027 1.00 0.00 O HETATM 7 N2 UNL 1 2.110 -1.529 0.597 1.00 0.00 N HETATM 8 C4 UNL 1 1.003 -1.936 1.430 1.00 0.00 C HETATM 9 C5 UNL 1 -0.079 -2.696 0.816 1.00 0.00 C HETATM 10 O3 UNL 1 -0.210 -3.879 0.431 1.00 0.00 O HETATM 11 N3 UNL 1 -0.884 -1.532 0.854 1.00 0.00 N HETATM 12 C6 UNL 1 -2.083 -0.843 0.390 1.00 0.00 C HETATM 13 C7 UNL 1 -3.307 -1.609 0.562 1.00 0.00 C HETATM 14 O4 UNL 1 -3.296 -2.751 1.183 1.00 0.00 O HETATM 15 O5 UNL 1 -4.550 -1.282 0.134 1.00 0.00 O HETATM 16 C8 UNL 1 -2.009 0.313 -0.212 1.00 0.00 C HETATM 17 C9 UNL 1 -3.035 1.155 -0.728 1.00 0.00 C HETATM 18 S1 UNL 1 -4.747 0.911 -0.666 1.00 0.00 S HETATM 19 C10 UNL 1 -5.713 2.196 -1.425 1.00 0.00 C HETATM 20 N4 UNL 1 -6.076 2.203 -2.721 1.00 0.00 N HETATM 21 N5 UNL 1 -6.792 3.300 -2.977 1.00 0.00 N HETATM 22 N6 UNL 1 -6.867 3.963 -1.837 1.00 0.00 N HETATM 23 N7 UNL 1 -6.219 3.309 -0.887 1.00 0.00 N HETATM 24 C11 UNL 1 -6.053 3.679 0.502 1.00 0.00 C HETATM 25 C12 UNL 1 -0.544 0.807 -0.464 1.00 0.00 C HETATM 26 S2 UNL 1 0.340 0.768 1.114 1.00 0.00 S HETATM 27 C13 UNL 1 0.009 -0.865 1.800 1.00 0.00 C HETATM 28 C14 UNL 1 4.566 -0.675 -1.162 1.00 0.00 C HETATM 29 C15 UNL 1 5.721 -0.353 -1.845 1.00 0.00 C HETATM 30 S3 UNL 1 5.099 0.425 -3.233 1.00 0.00 S HETATM 31 C16 UNL 1 3.438 0.298 -2.871 1.00 0.00 C HETATM 32 N8 UNL 1 2.308 0.761 -3.640 1.00 0.00 N HETATM 33 N9 UNL 1 3.448 -0.331 -1.712 1.00 0.00 N HETATM 34 H1 UNL 1 6.836 -2.274 3.730 1.00 0.00 H HETATM 35 H2 UNL 1 7.588 -1.334 2.333 1.00 0.00 H HETATM 36 H3 UNL 1 6.116 -0.733 3.133 1.00 0.00 H HETATM 37 H4 UNL 1 1.854 -1.047 -0.276 1.00 0.00 H HETATM 38 H5 UNL 1 1.371 -2.450 2.341 1.00 0.00 H HETATM 39 H6 UNL 1 -5.240 -1.967 -0.179 1.00 0.00 H HETATM 40 H7 UNL 1 -2.794 2.230 -0.315 1.00 0.00 H HETATM 41 H8 UNL 1 -2.779 1.401 -1.852 1.00 0.00 H HETATM 42 H9 UNL 1 -5.283 4.437 0.670 1.00 0.00 H HETATM 43 H10 UNL 1 -7.042 4.089 0.855 1.00 0.00 H HETATM 44 H11 UNL 1 -5.904 2.754 1.121 1.00 0.00 H HETATM 45 H12 UNL 1 -0.591 1.798 -0.905 1.00 0.00 H HETATM 46 H13 UNL 1 -0.065 0.073 -1.141 1.00 0.00 H HETATM 47 H14 UNL 1 -0.275 -0.899 2.850 1.00 0.00 H HETATM 48 H15 UNL 1 6.769 -0.555 -1.551 1.00 0.00 H HETATM 49 H16 UNL 1 2.386 1.642 -4.190 1.00 0.00 H HETATM 50 H17 UNL 1 1.406 0.253 -3.672 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 CONECT 3 4 4 CONECT 4 5 28 CONECT 5 6 6 7 CONECT 7 8 37 CONECT 8 9 27 38 CONECT 9 10 10 11 CONECT 11 12 27 CONECT 12 13 16 16 CONECT 13 14 14 15 CONECT 15 39 CONECT 16 17 25 CONECT 17 18 40 41 CONECT 18 19 CONECT 19 20 20 23 CONECT 20 21 CONECT 21 22 22 CONECT 22 23 CONECT 23 24 CONECT 24 42 43 44 CONECT 25 26 45 46 CONECT 26 27 CONECT 27 47 CONECT 28 29 29 33 CONECT 29 30 48 CONECT 30 31 CONECT 31 32 33 33 CONECT 32 49 50 END