COMPND HMDB0256723 HETATM 1 N1 UNL 1 7.023 -0.501 2.144 1.00 0.00 N HETATM 2 C1 UNL 1 6.480 -0.379 0.840 1.00 0.00 C HETATM 3 N2 UNL 1 7.134 -0.912 -0.206 1.00 0.00 N HETATM 4 C2 UNL 1 6.643 -0.814 -1.467 1.00 0.00 C HETATM 5 N3 UNL 1 5.486 -0.180 -1.721 1.00 0.00 N HETATM 6 C3 UNL 1 4.794 0.370 -0.717 1.00 0.00 C HETATM 7 C4 UNL 1 5.292 0.270 0.565 1.00 0.00 C HETATM 8 N4 UNL 1 4.408 0.899 1.348 1.00 0.00 N HETATM 9 C5 UNL 1 3.401 1.368 0.570 1.00 0.00 C HETATM 10 N5 UNL 1 3.613 1.054 -0.717 1.00 0.00 N HETATM 11 C6 UNL 1 2.822 1.340 -1.905 1.00 0.00 C HETATM 12 C7 UNL 1 1.817 0.244 -2.194 1.00 0.00 C HETATM 13 O1 UNL 1 0.910 0.049 -1.186 1.00 0.00 O HETATM 14 C8 UNL 1 0.124 1.147 -0.896 1.00 0.00 C HETATM 15 P1 UNL 1 -1.001 0.719 0.448 1.00 0.00 P HETATM 16 O2 UNL 1 -0.742 1.576 1.667 1.00 0.00 O HETATM 17 O3 UNL 1 -0.793 -0.902 0.880 1.00 0.00 O HETATM 18 C9 UNL 1 -1.360 -1.770 -0.020 1.00 0.00 C HETATM 19 C10 UNL 1 -2.757 -1.424 -0.417 1.00 0.00 C HETATM 20 C11 UNL 1 -3.267 -0.290 0.428 1.00 0.00 C HETATM 21 C12 UNL 1 -4.733 -0.176 0.409 1.00 0.00 C HETATM 22 C13 UNL 1 -5.439 -0.623 1.498 1.00 0.00 C HETATM 23 C14 UNL 1 -6.830 -0.551 1.560 1.00 0.00 C HETATM 24 C15 UNL 1 -7.542 -0.019 0.506 1.00 0.00 C HETATM 25 C16 UNL 1 -6.809 0.423 -0.579 1.00 0.00 C HETATM 26 CL1 UNL 1 -7.684 1.100 -1.923 1.00 0.00 CL HETATM 27 C17 UNL 1 -5.444 0.353 -0.638 1.00 0.00 C HETATM 28 O4 UNL 1 -2.640 0.880 -0.021 1.00 0.00 O HETATM 29 H1 UNL 1 6.487 -0.779 2.985 1.00 0.00 H HETATM 30 H2 UNL 1 8.045 -0.293 2.256 1.00 0.00 H HETATM 31 H3 UNL 1 7.185 -1.251 -2.294 1.00 0.00 H HETATM 32 H4 UNL 1 2.552 1.915 0.934 1.00 0.00 H HETATM 33 H5 UNL 1 2.338 2.322 -1.770 1.00 0.00 H HETATM 34 H6 UNL 1 3.546 1.458 -2.735 1.00 0.00 H HETATM 35 H7 UNL 1 1.389 0.400 -3.191 1.00 0.00 H HETATM 36 H8 UNL 1 2.421 -0.704 -2.267 1.00 0.00 H HETATM 37 H9 UNL 1 -0.533 1.421 -1.775 1.00 0.00 H HETATM 38 H10 UNL 1 0.710 2.045 -0.576 1.00 0.00 H HETATM 39 H11 UNL 1 -1.400 -2.778 0.485 1.00 0.00 H HETATM 40 H12 UNL 1 -0.715 -1.945 -0.924 1.00 0.00 H HETATM 41 H13 UNL 1 -3.455 -2.304 -0.392 1.00 0.00 H HETATM 42 H14 UNL 1 -2.740 -1.102 -1.497 1.00 0.00 H HETATM 43 H15 UNL 1 -2.898 -0.450 1.462 1.00 0.00 H HETATM 44 H16 UNL 1 -4.955 -1.052 2.362 1.00 0.00 H HETATM 45 H17 UNL 1 -7.383 -0.909 2.431 1.00 0.00 H HETATM 46 H18 UNL 1 -8.632 0.056 0.513 1.00 0.00 H HETATM 47 H19 UNL 1 -4.863 0.701 -1.491 1.00 0.00 H CONECT 1 2 29 30 CONECT 2 3 3 7 CONECT 3 4 CONECT 4 5 5 31 CONECT 5 6 CONECT 6 7 7 10 CONECT 7 8 CONECT 8 9 9 CONECT 9 10 32 CONECT 10 11 CONECT 11 12 33 34 CONECT 12 13 35 36 CONECT 13 14 CONECT 14 15 37 38 CONECT 15 16 16 17 28 CONECT 17 18 CONECT 18 19 39 40 CONECT 19 20 41 42 CONECT 20 21 28 43 CONECT 21 22 22 27 CONECT 22 23 44 CONECT 23 24 24 45 CONECT 24 25 46 CONECT 25 26 27 27 CONECT 27 47 END