COMPND HMDB0246334 HETATM 1 N1 UNL 1 -5.615 -0.212 1.122 1.00 0.00 N HETATM 2 C1 UNL 1 -4.862 -0.554 0.153 1.00 0.00 C HETATM 3 N2 UNL 1 -5.455 -1.310 -0.885 1.00 0.00 N HETATM 4 C2 UNL 1 -3.463 -0.200 0.092 1.00 0.00 C HETATM 5 C3 UNL 1 -2.793 0.528 1.043 1.00 0.00 C HETATM 6 C4 UNL 1 -1.443 0.859 0.965 1.00 0.00 C HETATM 7 C5 UNL 1 -0.720 0.441 -0.121 1.00 0.00 C HETATM 8 O1 UNL 1 0.632 0.734 -0.267 1.00 0.00 O HETATM 9 C6 UNL 1 1.551 -0.159 0.251 1.00 0.00 C HETATM 10 O2 UNL 1 1.136 -1.195 0.831 1.00 0.00 O HETATM 11 C7 UNL 1 2.976 0.103 0.123 1.00 0.00 C HETATM 12 C8 UNL 1 3.414 1.244 -0.516 1.00 0.00 C HETATM 13 C9 UNL 1 4.770 1.498 -0.639 1.00 0.00 C HETATM 14 C10 UNL 1 5.683 0.601 -0.119 1.00 0.00 C HETATM 15 C11 UNL 1 5.239 -0.537 0.518 1.00 0.00 C HETATM 16 C12 UNL 1 3.877 -0.800 0.648 1.00 0.00 C HETATM 17 C13 UNL 1 -1.363 -0.293 -1.096 1.00 0.00 C HETATM 18 C14 UNL 1 -2.695 -0.610 -1.004 1.00 0.00 C HETATM 19 H1 UNL 1 -5.262 0.341 1.919 1.00 0.00 H HETATM 20 H2 UNL 1 -5.786 -2.267 -0.699 1.00 0.00 H HETATM 21 H3 UNL 1 -5.547 -0.882 -1.820 1.00 0.00 H HETATM 22 H4 UNL 1 -3.348 0.873 1.919 1.00 0.00 H HETATM 23 H5 UNL 1 -0.980 1.438 1.755 1.00 0.00 H HETATM 24 H6 UNL 1 2.732 1.970 -0.936 1.00 0.00 H HETATM 25 H7 UNL 1 5.130 2.388 -1.138 1.00 0.00 H HETATM 26 H8 UNL 1 6.751 0.770 -0.199 1.00 0.00 H HETATM 27 H9 UNL 1 5.941 -1.244 0.929 1.00 0.00 H HETATM 28 H10 UNL 1 3.532 -1.701 1.152 1.00 0.00 H HETATM 29 H11 UNL 1 -0.809 -0.637 -1.970 1.00 0.00 H HETATM 30 H12 UNL 1 -3.221 -1.185 -1.756 1.00 0.00 H CONECT 1 2 2 19 CONECT 2 3 4 CONECT 3 20 21 CONECT 4 5 5 18 CONECT 5 6 22 CONECT 6 7 7 23 CONECT 7 8 17 CONECT 8 9 CONECT 9 10 10 11 CONECT 11 12 12 16 CONECT 12 13 24 CONECT 13 14 14 25 CONECT 14 15 26 CONECT 15 16 16 27 CONECT 16 28 CONECT 17 18 18 29 CONECT 18 30 END