COMPND HMDB0015423 HETATM 1 O1 UNL 1 2.127 3.301 -0.570 1.00 0.00 O HETATM 2 C1 UNL 1 2.301 2.180 0.025 1.00 0.00 C HETATM 3 O2 UNL 1 3.580 1.881 0.391 1.00 0.00 O HETATM 4 C2 UNL 1 1.142 1.339 0.266 1.00 0.00 C HETATM 5 C3 UNL 1 1.207 0.137 0.793 1.00 0.00 C HETATM 6 C4 UNL 1 2.286 -0.673 1.250 1.00 0.00 C HETATM 7 S1 UNL 1 3.998 -0.415 1.062 1.00 0.00 S HETATM 8 C5 UNL 1 4.610 -0.751 -0.596 1.00 0.00 C HETATM 9 N1 UNL 1 3.851 -1.163 -1.616 1.00 0.00 N HETATM 10 N2 UNL 1 4.679 -1.291 -2.642 1.00 0.00 N HETATM 11 N3 UNL 1 5.906 -0.971 -2.276 1.00 0.00 N HETATM 12 N4 UNL 1 5.882 -0.631 -1.000 1.00 0.00 N HETATM 13 C6 UNL 1 7.000 -0.212 -0.192 1.00 0.00 C HETATM 14 S2 UNL 1 7.789 -1.594 0.597 1.00 0.00 S HETATM 15 O3 UNL 1 8.307 -2.574 -0.385 1.00 0.00 O HETATM 16 O4 UNL 1 6.797 -2.197 1.547 1.00 0.00 O HETATM 17 O5 UNL 1 9.076 -1.003 1.514 1.00 0.00 O HETATM 18 C7 UNL 1 -0.170 -0.601 0.881 1.00 0.00 C HETATM 19 S3 UNL 1 -1.325 0.493 1.747 1.00 0.00 S HETATM 20 C8 UNL 1 -1.222 2.070 0.863 1.00 0.00 C HETATM 21 C9 UNL 1 -2.107 2.237 -0.328 1.00 0.00 C HETATM 22 N5 UNL 1 -2.921 1.154 -0.753 1.00 0.00 N HETATM 23 C10 UNL 1 -4.286 1.296 -1.172 1.00 0.00 C HETATM 24 O6 UNL 1 -4.732 2.486 -1.138 1.00 0.00 O HETATM 25 C11 UNL 1 -5.135 0.194 -1.612 1.00 0.00 C HETATM 26 O7 UNL 1 -6.347 0.738 -2.100 1.00 0.00 O HETATM 27 C12 UNL 1 -5.460 -0.813 -0.597 1.00 0.00 C HETATM 28 C13 UNL 1 -4.860 -0.806 0.638 1.00 0.00 C HETATM 29 C14 UNL 1 -5.223 -1.802 1.534 1.00 0.00 C HETATM 30 C15 UNL 1 -6.151 -2.770 1.214 1.00 0.00 C HETATM 31 C16 UNL 1 -6.755 -2.779 -0.023 1.00 0.00 C HETATM 32 C17 UNL 1 -6.399 -1.793 -0.918 1.00 0.00 C HETATM 33 C18 UNL 1 -0.891 2.496 -1.145 1.00 0.00 C HETATM 34 O8 UNL 1 -0.706 3.007 -2.269 1.00 0.00 O HETATM 35 N6 UNL 1 -0.141 1.922 -0.094 1.00 0.00 N HETATM 36 H1 UNL 1 4.261 2.561 0.716 1.00 0.00 H HETATM 37 H2 UNL 1 2.075 -0.950 2.380 1.00 0.00 H HETATM 38 H3 UNL 1 2.100 -1.770 0.837 1.00 0.00 H HETATM 39 H4 UNL 1 7.757 0.248 -0.887 1.00 0.00 H HETATM 40 H5 UNL 1 6.737 0.568 0.540 1.00 0.00 H HETATM 41 H6 UNL 1 9.169 -1.594 2.302 1.00 0.00 H HETATM 42 H7 UNL 1 -0.006 -1.498 1.490 1.00 0.00 H HETATM 43 H8 UNL 1 -0.468 -0.848 -0.145 1.00 0.00 H HETATM 44 H9 UNL 1 -1.176 2.960 1.532 1.00 0.00 H HETATM 45 H10 UNL 1 -2.680 3.208 -0.278 1.00 0.00 H HETATM 46 H11 UNL 1 -2.526 0.192 -0.776 1.00 0.00 H HETATM 47 H12 UNL 1 -4.600 -0.306 -2.473 1.00 0.00 H HETATM 48 H13 UNL 1 -6.676 1.342 -1.381 1.00 0.00 H HETATM 49 H14 UNL 1 -4.132 -0.073 0.947 1.00 0.00 H HETATM 50 H15 UNL 1 -4.753 -1.800 2.507 1.00 0.00 H HETATM 51 H16 UNL 1 -6.403 -3.530 1.953 1.00 0.00 H HETATM 52 H17 UNL 1 -7.491 -3.550 -0.272 1.00 0.00 H HETATM 53 H18 UNL 1 -6.892 -1.825 -1.886 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 36 CONECT 4 5 5 35 CONECT 5 6 18 CONECT 6 7 37 38 CONECT 7 8 CONECT 8 9 9 12 CONECT 9 10 CONECT 10 11 11 CONECT 11 12 CONECT 12 13 CONECT 13 14 39 40 CONECT 14 15 15 16 16 CONECT 14 17 CONECT 17 41 CONECT 18 19 42 43 CONECT 19 20 CONECT 20 21 35 44 CONECT 21 22 33 45 CONECT 22 23 46 CONECT 23 24 24 25 CONECT 25 26 27 47 CONECT 26 48 CONECT 27 28 28 32 CONECT 28 29 49 CONECT 29 30 30 50 CONECT 30 31 51 CONECT 31 32 32 52 CONECT 32 53 CONECT 33 34 34 35 END