COMPND HMDB0060541 HETATM 1 O1 UNL 1 -1.097 -0.418 1.824 1.00 0.00 O HETATM 2 C1 UNL 1 -1.184 -0.336 0.573 1.00 0.00 C HETATM 3 O2 UNL 1 -0.103 -0.803 -0.158 1.00 0.00 O HETATM 4 C2 UNL 1 1.052 -1.349 0.454 1.00 0.00 C HETATM 5 C3 UNL 1 1.322 -2.712 -0.046 1.00 0.00 C HETATM 6 N1 UNL 1 0.564 -3.855 -0.063 1.00 0.00 N HETATM 7 C4 UNL 1 1.054 -4.988 -0.581 1.00 0.00 C HETATM 8 C5 UNL 1 2.320 -5.073 -1.117 1.00 0.00 C HETATM 9 N2 UNL 1 3.064 -3.957 -1.103 1.00 0.00 N HETATM 10 C6 UNL 1 2.585 -2.788 -0.578 1.00 0.00 C HETATM 11 C7 UNL 1 3.174 -1.467 -0.449 1.00 0.00 C HETATM 12 O3 UNL 1 4.360 -1.155 -0.841 1.00 0.00 O HETATM 13 N3 UNL 1 2.239 -0.608 0.168 1.00 0.00 N HETATM 14 C8 UNL 1 2.494 0.792 0.444 1.00 0.00 C HETATM 15 C9 UNL 1 2.417 1.289 1.723 1.00 0.00 C HETATM 16 C10 UNL 1 2.658 2.633 2.002 1.00 0.00 C HETATM 17 C11 UNL 1 2.978 3.467 0.967 1.00 0.00 C HETATM 18 CL1 UNL 1 3.301 5.191 1.234 1.00 0.00 CL HETATM 19 C12 UNL 1 3.051 2.955 -0.303 1.00 0.00 C HETATM 20 N4 UNL 1 2.811 1.645 -0.540 1.00 0.00 N HETATM 21 N5 UNL 1 -2.350 0.214 -0.039 1.00 0.00 N HETATM 22 C13 UNL 1 -2.505 0.332 -1.464 1.00 0.00 C HETATM 23 C14 UNL 1 -3.769 1.174 -1.687 1.00 0.00 C HETATM 24 N6 UNL 1 -3.651 2.415 -0.930 1.00 0.00 N HETATM 25 C15 UNL 1 -3.888 2.076 0.461 1.00 0.00 C HETATM 26 C16 UNL 1 -3.429 0.678 0.804 1.00 0.00 C HETATM 27 H1 UNL 1 0.954 -1.346 1.572 1.00 0.00 H HETATM 28 H2 UNL 1 0.427 -5.884 -0.581 1.00 0.00 H HETATM 29 H3 UNL 1 2.632 -6.028 -1.513 1.00 0.00 H HETATM 30 H4 UNL 1 2.160 0.590 2.509 1.00 0.00 H HETATM 31 H5 UNL 1 2.598 3.023 3.004 1.00 0.00 H HETATM 32 H6 UNL 1 3.308 3.644 -1.106 1.00 0.00 H HETATM 33 H7 UNL 1 -2.728 -0.657 -1.934 1.00 0.00 H HETATM 34 H8 UNL 1 -1.672 0.858 -1.945 1.00 0.00 H HETATM 35 H9 UNL 1 -4.654 0.638 -1.290 1.00 0.00 H HETATM 36 H10 UNL 1 -3.927 1.419 -2.735 1.00 0.00 H HETATM 37 H11 UNL 1 -2.663 2.734 -1.068 1.00 0.00 H HETATM 38 H12 UNL 1 -4.998 2.185 0.611 1.00 0.00 H HETATM 39 H13 UNL 1 -3.435 2.832 1.137 1.00 0.00 H HETATM 40 H14 UNL 1 -4.323 0.019 0.694 1.00 0.00 H HETATM 41 H15 UNL 1 -3.146 0.621 1.889 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 21 CONECT 3 4 CONECT 4 5 13 27 CONECT 5 6 6 10 CONECT 6 7 CONECT 7 8 8 28 CONECT 8 9 29 CONECT 9 10 10 CONECT 10 11 CONECT 11 12 12 13 CONECT 13 14 CONECT 14 15 15 20 CONECT 15 16 30 CONECT 16 17 17 31 CONECT 17 18 19 CONECT 19 20 20 32 CONECT 21 22 26 CONECT 22 23 33 34 CONECT 23 24 35 36 CONECT 24 25 37 CONECT 25 26 38 39 CONECT 26 40 41 END