COMPND HMDB0258704 HETATM 1 C1 UNL 1 5.255 -2.287 -1.194 1.00 0.00 C HETATM 2 O1 UNL 1 3.865 -2.190 -1.065 1.00 0.00 O HETATM 3 C2 UNL 1 3.198 -1.075 -0.560 1.00 0.00 C HETATM 4 C3 UNL 1 3.959 0.003 -0.162 1.00 0.00 C HETATM 5 C4 UNL 1 3.301 1.107 0.337 1.00 0.00 C HETATM 6 C5 UNL 1 1.924 1.087 0.417 1.00 0.00 C HETATM 7 C6 UNL 1 1.167 -0.008 0.013 1.00 0.00 C HETATM 8 C7 UNL 1 1.816 -1.121 -0.490 1.00 0.00 C HETATM 9 N1 UNL 1 -0.245 -0.047 0.104 1.00 0.00 N HETATM 10 C8 UNL 1 -1.027 -1.206 0.263 1.00 0.00 C HETATM 11 O2 UNL 1 -0.497 -2.333 0.408 1.00 0.00 O HETATM 12 O3 UNL 1 -2.428 -1.137 0.264 1.00 0.00 O HETATM 13 C9 UNL 1 -3.156 -2.326 0.427 1.00 0.00 C HETATM 14 C10 UNL 1 -3.885 -2.226 1.756 1.00 0.00 C HETATM 15 C11 UNL 1 -4.136 -2.531 -0.711 1.00 0.00 C HETATM 16 C12 UNL 1 -0.930 1.263 0.057 1.00 0.00 C HETATM 17 C13 UNL 1 -0.978 1.770 -1.337 1.00 0.00 C HETATM 18 S1 UNL 1 -1.796 3.356 -1.455 1.00 0.00 S HETATM 19 C14 UNL 1 -0.871 4.718 -0.744 1.00 0.00 C HETATM 20 C15 UNL 1 -0.208 2.187 0.954 1.00 0.00 C HETATM 21 S2 UNL 1 -1.017 3.111 1.998 1.00 0.00 S HETATM 22 N2 UNL 1 1.209 2.228 0.906 1.00 0.00 N HETATM 23 H1 UNL 1 5.701 -2.519 -0.193 1.00 0.00 H HETATM 24 H2 UNL 1 5.718 -1.379 -1.603 1.00 0.00 H HETATM 25 H3 UNL 1 5.484 -3.171 -1.840 1.00 0.00 H HETATM 26 H4 UNL 1 5.058 -0.018 -0.241 1.00 0.00 H HETATM 27 H5 UNL 1 3.886 1.950 0.648 1.00 0.00 H HETATM 28 H6 UNL 1 1.251 -1.978 -0.823 1.00 0.00 H HETATM 29 H7 UNL 1 -2.450 -3.168 0.529 1.00 0.00 H HETATM 30 H8 UNL 1 -3.823 -1.205 2.183 1.00 0.00 H HETATM 31 H9 UNL 1 -4.949 -2.465 1.570 1.00 0.00 H HETATM 32 H10 UNL 1 -3.451 -2.903 2.527 1.00 0.00 H HETATM 33 H11 UNL 1 -5.121 -2.185 -0.336 1.00 0.00 H HETATM 34 H12 UNL 1 -3.786 -1.928 -1.553 1.00 0.00 H HETATM 35 H13 UNL 1 -4.191 -3.613 -0.895 1.00 0.00 H HETATM 36 H14 UNL 1 -1.949 1.121 0.441 1.00 0.00 H HETATM 37 H15 UNL 1 0.028 1.772 -1.826 1.00 0.00 H HETATM 38 H16 UNL 1 -1.575 1.062 -1.995 1.00 0.00 H HETATM 39 H17 UNL 1 -1.440 5.275 0.037 1.00 0.00 H HETATM 40 H18 UNL 1 -0.783 5.492 -1.579 1.00 0.00 H HETATM 41 H19 UNL 1 0.132 4.460 -0.371 1.00 0.00 H HETATM 42 H20 UNL 1 1.741 3.056 1.214 1.00 0.00 H CONECT 1 2 23 24 25 CONECT 2 3 CONECT 3 4 4 8 CONECT 4 5 26 CONECT 5 6 6 27 CONECT 6 7 22 CONECT 7 8 8 9 CONECT 8 28 CONECT 9 10 16 CONECT 10 11 11 12 CONECT 12 13 CONECT 13 14 15 29 CONECT 14 30 31 32 CONECT 15 33 34 35 CONECT 16 17 20 36 CONECT 17 18 37 38 CONECT 18 19 CONECT 19 39 40 41 CONECT 20 21 21 22 CONECT 22 42 END