COMPND HMDB0304385 HETATM 1 O1 UNL 1 1.205 -0.445 -1.422 1.00 0.00 O HETATM 2 C1 UNL 1 0.491 -0.003 -0.495 1.00 0.00 C HETATM 3 C2 UNL 1 1.021 0.998 0.429 1.00 0.00 C HETATM 4 C3 UNL 1 2.411 1.386 0.153 1.00 0.00 C HETATM 5 C4 UNL 1 2.809 2.555 -0.447 1.00 0.00 C HETATM 6 N1 UNL 1 4.148 2.562 -0.532 1.00 0.00 N HETATM 7 C5 UNL 1 4.655 1.428 -0.004 1.00 0.00 C HETATM 8 C6 UNL 1 5.940 0.939 0.159 1.00 0.00 C HETATM 9 C7 UNL 1 6.148 -0.294 0.755 1.00 0.00 C HETATM 10 C8 UNL 1 5.041 -1.001 1.170 1.00 0.00 C HETATM 11 C9 UNL 1 3.750 -0.528 1.016 1.00 0.00 C HETATM 12 C10 UNL 1 3.572 0.691 0.425 1.00 0.00 C HETATM 13 N2 UNL 1 -0.826 -0.481 -0.353 1.00 0.00 N HETATM 14 C11 UNL 1 -1.435 -1.468 -1.219 1.00 0.00 C HETATM 15 C12 UNL 1 -2.651 -0.920 -1.931 1.00 0.00 C HETATM 16 C13 UNL 1 -3.700 -0.476 -1.019 1.00 0.00 C HETATM 17 C14 UNL 1 -3.712 0.824 -0.569 1.00 0.00 C HETATM 18 C15 UNL 1 -4.700 1.278 0.304 1.00 0.00 C HETATM 19 C16 UNL 1 -5.675 0.426 0.728 1.00 0.00 C HETATM 20 C17 UNL 1 -5.690 -0.880 0.296 1.00 0.00 C HETATM 21 C18 UNL 1 -4.691 -1.320 -0.582 1.00 0.00 C HETATM 22 C19 UNL 1 -1.749 -2.721 -0.484 1.00 0.00 C HETATM 23 O2 UNL 1 -1.788 -2.678 0.768 1.00 0.00 O HETATM 24 O3 UNL 1 -2.002 -3.934 -1.104 1.00 0.00 O1- HETATM 25 H1 UNL 1 0.381 1.905 0.347 1.00 0.00 H HETATM 26 H2 UNL 1 0.918 0.677 1.490 1.00 0.00 H HETATM 27 H3 UNL 1 2.196 3.371 -0.812 1.00 0.00 H HETATM 28 H4 UNL 1 4.741 3.322 -0.943 1.00 0.00 H HETATM 29 H5 UNL 1 6.798 1.537 -0.188 1.00 0.00 H HETATM 30 H6 UNL 1 7.167 -0.677 0.881 1.00 0.00 H HETATM 31 H7 UNL 1 5.186 -1.971 1.640 1.00 0.00 H HETATM 32 H8 UNL 1 2.884 -1.078 1.340 1.00 0.00 H HETATM 33 H9 UNL 1 -1.415 -0.110 0.420 1.00 0.00 H HETATM 34 H10 UNL 1 -0.695 -1.747 -1.997 1.00 0.00 H HETATM 35 H11 UNL 1 -2.281 -0.115 -2.624 1.00 0.00 H HETATM 36 H12 UNL 1 -3.064 -1.715 -2.585 1.00 0.00 H HETATM 37 H13 UNL 1 -2.974 1.558 -0.860 1.00 0.00 H HETATM 38 H14 UNL 1 -4.714 2.300 0.661 1.00 0.00 H HETATM 39 H15 UNL 1 -6.484 0.718 1.416 1.00 0.00 H HETATM 40 H16 UNL 1 -6.465 -1.555 0.632 1.00 0.00 H HETATM 41 H17 UNL 1 -4.752 -2.358 -0.889 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 13 CONECT 3 4 25 26 CONECT 4 5 5 12 CONECT 5 6 27 CONECT 6 7 28 CONECT 7 8 8 12 CONECT 8 9 29 CONECT 9 10 10 30 CONECT 10 11 31 CONECT 11 12 12 32 CONECT 13 14 33 CONECT 14 15 22 34 CONECT 15 16 35 36 CONECT 16 17 17 21 CONECT 17 18 37 CONECT 18 19 19 38 CONECT 19 20 39 CONECT 20 21 21 40 CONECT 21 41 CONECT 22 23 23 24 END