COMPND HMDB0094726 HETATM 1 O1 UNL 1 5.993 -0.900 -1.231 1.00 0.00 O HETATM 2 C1 UNL 1 4.748 -0.784 -1.366 1.00 0.00 C HETATM 3 O2 UNL 1 4.291 -0.047 -2.448 1.00 0.00 O HETATM 4 C2 UNL 1 3.884 -1.435 -0.373 1.00 0.00 C HETATM 5 N1 UNL 1 2.479 -1.223 -0.646 1.00 0.00 N HETATM 6 C3 UNL 1 1.634 -1.154 0.316 1.00 0.00 C HETATM 7 O3 UNL 1 2.086 -1.284 1.609 1.00 0.00 O HETATM 8 C4 UNL 1 0.186 -0.934 0.022 1.00 0.00 C HETATM 9 C5 UNL 1 -0.258 0.355 0.696 1.00 0.00 C HETATM 10 C6 UNL 1 -1.699 0.558 0.393 1.00 0.00 C HETATM 11 C7 UNL 1 -2.616 -0.001 1.288 1.00 0.00 C HETATM 12 C8 UNL 1 -3.956 0.177 1.024 1.00 0.00 C HETATM 13 C9 UNL 1 -4.352 0.885 -0.090 1.00 0.00 C HETATM 14 C10 UNL 1 -3.460 1.439 -0.977 1.00 0.00 C HETATM 15 O4 UNL 1 -3.892 2.158 -2.108 1.00 0.00 O HETATM 16 C11 UNL 1 -2.117 1.267 -0.722 1.00 0.00 C HETATM 17 H1 UNL 1 4.454 0.966 -2.395 1.00 0.00 H HETATM 18 H2 UNL 1 4.046 -2.537 -0.314 1.00 0.00 H HETATM 19 H3 UNL 1 4.104 -0.949 0.617 1.00 0.00 H HETATM 20 H4 UNL 1 2.378 -0.479 2.144 1.00 0.00 H HETATM 21 H5 UNL 1 -0.428 -1.796 0.352 1.00 0.00 H HETATM 22 H6 UNL 1 0.042 -0.845 -1.066 1.00 0.00 H HETATM 23 H7 UNL 1 -0.153 0.298 1.796 1.00 0.00 H HETATM 24 H8 UNL 1 0.358 1.180 0.269 1.00 0.00 H HETATM 25 H9 UNL 1 -2.252 -0.547 2.148 1.00 0.00 H HETATM 26 H10 UNL 1 -4.658 -0.257 1.718 1.00 0.00 H HETATM 27 H11 UNL 1 -5.415 1.032 -0.310 1.00 0.00 H HETATM 28 H12 UNL 1 -4.034 3.172 -2.010 1.00 0.00 H HETATM 29 H13 UNL 1 -1.394 1.686 -1.394 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 17 CONECT 4 5 18 19 CONECT 5 6 6 CONECT 6 7 8 CONECT 7 20 CONECT 8 9 21 22 CONECT 9 10 23 24 CONECT 10 11 11 16 CONECT 11 12 25 CONECT 12 13 13 26 CONECT 13 14 27 CONECT 14 15 16 16 CONECT 15 28 CONECT 16 29 END