COMPND HMDB0011596 HETATM 1 N1 UNL 1 -2.529 -5.529 0.946 1.00 0.00 N HETATM 2 C1 UNL 1 -1.694 -4.374 0.806 1.00 0.00 C HETATM 3 N2 UNL 1 -0.355 -4.573 0.668 1.00 0.00 N HETATM 4 C2 UNL 1 0.479 -3.532 0.533 1.00 0.00 C HETATM 5 O1 UNL 1 1.728 -3.654 0.402 1.00 0.00 O HETATM 6 C3 UNL 1 -0.003 -2.223 0.531 1.00 0.00 C HETATM 7 C4 UNL 1 0.605 -0.992 0.417 1.00 0.00 C HETATM 8 C5 UNL 1 2.066 -0.728 0.241 1.00 0.00 C HETATM 9 N3 UNL 1 2.348 0.669 0.170 1.00 0.00 N HETATM 10 C6 UNL 1 3.752 0.921 0.005 1.00 0.00 C HETATM 11 C7 UNL 1 4.255 0.387 -1.273 1.00 0.00 C HETATM 12 C8 UNL 1 4.989 1.277 -1.917 1.00 0.00 C HETATM 13 C9 UNL 1 5.080 2.535 -1.156 1.00 0.00 C HETATM 14 O2 UNL 1 6.379 2.608 -0.642 1.00 0.00 O HETATM 15 C10 UNL 1 4.052 2.408 -0.080 1.00 0.00 C HETATM 16 O3 UNL 1 4.661 2.802 1.129 1.00 0.00 O HETATM 17 C11 UNL 1 -0.431 -0.078 0.494 1.00 0.00 C HETATM 18 N4 UNL 1 -1.593 -0.737 0.645 1.00 0.00 N HETATM 19 C12 UNL 1 -2.906 -0.142 0.760 1.00 0.00 C HETATM 20 O4 UNL 1 -2.785 1.202 1.011 1.00 0.00 O HETATM 21 C13 UNL 1 -2.832 1.929 -0.144 1.00 0.00 C HETATM 22 C14 UNL 1 -4.062 2.849 -0.105 1.00 0.00 C HETATM 23 O5 UNL 1 -3.999 3.731 0.976 1.00 0.00 O HETATM 24 C15 UNL 1 -3.065 0.971 -1.286 1.00 0.00 C HETATM 25 O6 UNL 1 -1.865 0.521 -1.785 1.00 0.00 O HETATM 26 C16 UNL 1 -3.703 -0.190 -0.519 1.00 0.00 C HETATM 27 O7 UNL 1 -3.612 -1.366 -1.215 1.00 0.00 O HETATM 28 C17 UNL 1 -1.371 -2.072 0.674 1.00 0.00 C HETATM 29 N5 UNL 1 -2.198 -3.128 0.809 1.00 0.00 N HETATM 30 H1 UNL 1 -2.501 -6.099 1.825 1.00 0.00 H HETATM 31 H2 UNL 1 -3.185 -5.850 0.201 1.00 0.00 H HETATM 32 H3 UNL 1 2.417 -1.312 -0.628 1.00 0.00 H HETATM 33 H4 UNL 1 2.609 -1.151 1.124 1.00 0.00 H HETATM 34 H5 UNL 1 1.785 1.137 -0.550 1.00 0.00 H HETATM 35 H6 UNL 1 4.325 0.497 0.872 1.00 0.00 H HETATM 36 H7 UNL 1 4.019 -0.643 -1.605 1.00 0.00 H HETATM 37 H8 UNL 1 5.457 1.099 -2.874 1.00 0.00 H HETATM 38 H9 UNL 1 4.958 3.440 -1.790 1.00 0.00 H HETATM 39 H10 UNL 1 7.020 2.937 -1.309 1.00 0.00 H HETATM 40 H11 UNL 1 3.146 3.009 -0.235 1.00 0.00 H HETATM 41 H12 UNL 1 5.301 2.057 1.363 1.00 0.00 H HETATM 42 H13 UNL 1 -0.282 0.991 0.436 1.00 0.00 H HETATM 43 H14 UNL 1 -3.469 -0.581 1.617 1.00 0.00 H HETATM 44 H15 UNL 1 -1.927 2.507 -0.392 1.00 0.00 H HETATM 45 H16 UNL 1 -4.140 3.393 -1.085 1.00 0.00 H HETATM 46 H17 UNL 1 -4.978 2.239 0.030 1.00 0.00 H HETATM 47 H18 UNL 1 -3.873 4.655 0.606 1.00 0.00 H HETATM 48 H19 UNL 1 -3.740 1.384 -2.052 1.00 0.00 H HETATM 49 H20 UNL 1 -1.957 -0.334 -2.255 1.00 0.00 H HETATM 50 H21 UNL 1 -4.742 0.098 -0.263 1.00 0.00 H HETATM 51 H22 UNL 1 -4.408 -1.934 -1.043 1.00 0.00 H HETATM 52 H23 UNL 1 -3.229 -3.032 0.920 1.00 0.00 H CONECT 1 2 30 31 CONECT 2 3 3 29 CONECT 3 4 CONECT 4 5 5 6 CONECT 6 7 28 28 CONECT 7 8 17 17 CONECT 8 9 32 33 CONECT 9 10 34 CONECT 10 11 15 35 CONECT 11 12 12 36 CONECT 12 13 37 CONECT 13 14 15 38 CONECT 14 39 CONECT 15 16 40 CONECT 16 41 CONECT 17 18 42 CONECT 18 19 28 CONECT 19 20 26 43 CONECT 20 21 CONECT 21 22 24 44 CONECT 22 23 45 46 CONECT 23 47 CONECT 24 25 26 48 CONECT 25 49 CONECT 26 27 50 CONECT 27 51 CONECT 28 29 CONECT 29 52 END