COMPND HMDB0250045 HETATM 1 C1 UNL 1 -3.709 4.124 -0.582 1.00 0.00 C HETATM 2 C2 UNL 1 -3.237 2.981 0.240 1.00 0.00 C HETATM 3 O1 UNL 1 -4.068 2.585 1.128 1.00 0.00 O HETATM 4 N1 UNL 1 -1.975 2.359 0.078 1.00 0.00 N HETATM 5 C3 UNL 1 -1.074 2.838 -0.930 1.00 0.00 C HETATM 6 C4 UNL 1 0.360 2.520 -0.732 1.00 0.00 C HETATM 7 N2 UNL 1 0.566 1.247 -0.106 1.00 0.00 N HETATM 8 C5 UNL 1 1.907 0.784 0.042 1.00 0.00 C HETATM 9 O2 UNL 1 2.887 1.468 -0.374 1.00 0.00 O HETATM 10 C6 UNL 1 2.167 -0.512 0.692 1.00 0.00 C HETATM 11 C7 UNL 1 3.628 -0.753 0.701 1.00 0.00 C HETATM 12 C8 UNL 1 4.450 -0.318 1.721 1.00 0.00 C HETATM 13 C9 UNL 1 5.804 -0.574 1.675 1.00 0.00 C HETATM 14 C10 UNL 1 6.379 -1.260 0.632 1.00 0.00 C HETATM 15 CL1 UNL 1 8.121 -1.562 0.623 1.00 0.00 CL HETATM 16 C11 UNL 1 5.561 -1.690 -0.379 1.00 0.00 C HETATM 17 CL2 UNL 1 6.262 -2.565 -1.722 1.00 0.00 CL HETATM 18 C12 UNL 1 4.206 -1.441 -0.345 1.00 0.00 C HETATM 19 C13 UNL 1 -0.506 0.427 0.370 1.00 0.00 C HETATM 20 C14 UNL 1 -1.028 -0.443 -0.765 1.00 0.00 C HETATM 21 N3 UNL 1 -2.115 -1.273 -0.277 1.00 0.00 N HETATM 22 C15 UNL 1 -1.710 -2.278 0.657 1.00 0.00 C HETATM 23 C16 UNL 1 -2.648 -3.464 0.467 1.00 0.00 C HETATM 24 C17 UNL 1 -3.650 -2.954 -0.547 1.00 0.00 C HETATM 25 C18 UNL 1 -2.761 -1.996 -1.353 1.00 0.00 C HETATM 26 C19 UNL 1 -1.643 1.242 0.952 1.00 0.00 C HETATM 27 H1 UNL 1 -3.088 4.236 -1.478 1.00 0.00 H HETATM 28 H2 UNL 1 -4.792 4.010 -0.815 1.00 0.00 H HETATM 29 H3 UNL 1 -3.584 5.039 0.062 1.00 0.00 H HETATM 30 H4 UNL 1 -1.155 3.970 -0.903 1.00 0.00 H HETATM 31 H5 UNL 1 -1.392 2.575 -1.977 1.00 0.00 H HETATM 32 H6 UNL 1 0.906 3.331 -0.187 1.00 0.00 H HETATM 33 H7 UNL 1 0.861 2.488 -1.746 1.00 0.00 H HETATM 34 H8 UNL 1 1.649 -1.336 0.179 1.00 0.00 H HETATM 35 H9 UNL 1 1.810 -0.529 1.747 1.00 0.00 H HETATM 36 H10 UNL 1 4.020 0.222 2.551 1.00 0.00 H HETATM 37 H11 UNL 1 6.408 -0.209 2.505 1.00 0.00 H HETATM 38 H12 UNL 1 3.612 -1.816 -1.190 1.00 0.00 H HETATM 39 H13 UNL 1 -0.108 -0.241 1.176 1.00 0.00 H HETATM 40 H14 UNL 1 -1.462 0.240 -1.522 1.00 0.00 H HETATM 41 H15 UNL 1 -0.248 -1.031 -1.238 1.00 0.00 H HETATM 42 H16 UNL 1 -0.642 -2.585 0.531 1.00 0.00 H HETATM 43 H17 UNL 1 -1.914 -1.893 1.681 1.00 0.00 H HETATM 44 H18 UNL 1 -3.107 -3.795 1.401 1.00 0.00 H HETATM 45 H19 UNL 1 -2.124 -4.324 -0.026 1.00 0.00 H HETATM 46 H20 UNL 1 -4.043 -3.759 -1.195 1.00 0.00 H HETATM 47 H21 UNL 1 -4.409 -2.348 -0.055 1.00 0.00 H HETATM 48 H22 UNL 1 -3.373 -1.335 -1.997 1.00 0.00 H HETATM 49 H23 UNL 1 -2.068 -2.641 -1.918 1.00 0.00 H HETATM 50 H24 UNL 1 -1.397 1.655 1.939 1.00 0.00 H HETATM 51 H25 UNL 1 -2.536 0.586 0.986 1.00 0.00 H CONECT 1 2 27 28 29 CONECT 2 3 3 4 CONECT 4 5 26 CONECT 5 6 30 31 CONECT 6 7 32 33 CONECT 7 8 19 CONECT 8 9 9 10 CONECT 10 11 34 35 CONECT 11 12 12 18 CONECT 12 13 36 CONECT 13 14 14 37 CONECT 14 15 16 CONECT 16 17 18 18 CONECT 18 38 CONECT 19 20 26 39 CONECT 20 21 40 41 CONECT 21 22 25 CONECT 22 23 42 43 CONECT 23 24 44 45 CONECT 24 25 46 47 CONECT 25 48 49 CONECT 26 50 51 END