COMPND HMDB0249653 HETATM 1 N1 UNL 1 6.953 2.092 0.902 1.00 0.00 N HETATM 2 C1 UNL 1 6.348 1.006 0.246 1.00 0.00 C HETATM 3 O1 UNL 1 6.834 0.409 -0.743 1.00 0.00 O HETATM 4 C2 UNL 1 5.046 0.521 0.751 1.00 0.00 C HETATM 5 N2 UNL 1 4.419 1.053 1.843 1.00 0.00 N HETATM 6 N3 UNL 1 3.330 0.392 2.044 1.00 0.00 N HETATM 7 N4 UNL 1 3.202 -0.586 1.100 1.00 0.00 N HETATM 8 C3 UNL 1 2.071 -1.445 0.986 1.00 0.00 C HETATM 9 C4 UNL 1 0.831 -0.857 0.469 1.00 0.00 C HETATM 10 C5 UNL 1 0.388 -0.989 -0.808 1.00 0.00 C HETATM 11 C6 UNL 1 -0.805 -0.429 -1.236 1.00 0.00 C HETATM 12 CL1 UNL 1 -1.289 -0.680 -2.907 1.00 0.00 CL HETATM 13 C7 UNL 1 -1.638 0.325 -0.349 1.00 0.00 C HETATM 14 C8 UNL 1 -2.832 0.856 -0.926 1.00 0.00 C HETATM 15 O2 UNL 1 -2.630 1.790 -1.834 1.00 0.00 O HETATM 16 C9 UNL 1 -4.215 0.558 -0.717 1.00 0.00 C HETATM 17 C10 UNL 1 -4.752 -0.001 0.427 1.00 0.00 C HETATM 18 C11 UNL 1 -6.127 -0.261 0.562 1.00 0.00 C HETATM 19 C12 UNL 1 -6.995 0.033 -0.460 1.00 0.00 C HETATM 20 CL2 UNL 1 -8.724 -0.265 -0.409 1.00 0.00 CL HETATM 21 C13 UNL 1 -6.478 0.593 -1.626 1.00 0.00 C HETATM 22 C14 UNL 1 -5.132 0.842 -1.741 1.00 0.00 C HETATM 23 C15 UNL 1 -1.174 0.452 0.934 1.00 0.00 C HETATM 24 CL3 UNL 1 -2.107 1.451 2.055 1.00 0.00 CL HETATM 25 C16 UNL 1 0.015 -0.109 1.352 1.00 0.00 C HETATM 26 C17 UNL 1 4.277 -0.481 0.316 1.00 0.00 C HETATM 27 N5 UNL 1 4.580 -1.351 -0.801 1.00 0.00 N HETATM 28 H1 UNL 1 6.566 2.426 1.828 1.00 0.00 H HETATM 29 H2 UNL 1 7.755 2.577 0.511 1.00 0.00 H HETATM 30 H3 UNL 1 1.908 -2.038 1.911 1.00 0.00 H HETATM 31 H4 UNL 1 2.339 -2.249 0.225 1.00 0.00 H HETATM 32 H5 UNL 1 0.998 -1.546 -1.546 1.00 0.00 H HETATM 33 H6 UNL 1 -4.173 -0.321 1.276 1.00 0.00 H HETATM 34 H7 UNL 1 -6.536 -0.688 1.481 1.00 0.00 H HETATM 35 H8 UNL 1 -7.170 0.831 -2.443 1.00 0.00 H HETATM 36 H9 UNL 1 -4.806 1.292 -2.693 1.00 0.00 H HETATM 37 H10 UNL 1 0.350 -0.002 2.389 1.00 0.00 H HETATM 38 H11 UNL 1 4.604 -2.394 -0.634 1.00 0.00 H HETATM 39 H12 UNL 1 4.771 -0.982 -1.736 1.00 0.00 H CONECT 1 2 28 29 CONECT 2 3 3 4 CONECT 4 5 26 26 CONECT 5 6 6 CONECT 6 7 CONECT 7 8 26 CONECT 8 9 30 31 CONECT 9 10 10 25 CONECT 10 11 32 CONECT 11 12 13 13 CONECT 13 14 23 CONECT 14 15 15 16 CONECT 16 17 17 22 CONECT 17 18 33 CONECT 18 19 19 34 CONECT 19 20 21 CONECT 21 22 22 35 CONECT 22 36 CONECT 23 24 25 25 CONECT 25 37 CONECT 26 27 CONECT 27 38 39 END