COMPND HMDB0248023 HETATM 1 C1 UNL 1 8.644 -1.507 -1.073 1.00 0.00 C HETATM 2 C2 UNL 1 8.433 -0.194 -0.452 1.00 0.00 C HETATM 3 C3 UNL 1 9.437 0.728 -0.274 1.00 0.00 C HETATM 4 N1 UNL 1 8.884 1.784 0.279 1.00 0.00 N HETATM 5 C4 UNL 1 7.540 1.585 0.468 1.00 0.00 C HETATM 6 C5 UNL 1 7.201 0.349 0.030 1.00 0.00 C HETATM 7 C6 UNL 1 5.913 -0.177 0.165 1.00 0.00 C HETATM 8 C7 UNL 1 6.096 -1.496 0.821 1.00 0.00 C HETATM 9 C8 UNL 1 5.000 -1.358 0.043 1.00 0.00 C HETATM 10 C9 UNL 1 4.140 -0.710 -0.988 1.00 0.00 C HETATM 11 N2 UNL 1 3.643 0.302 -0.001 1.00 0.00 N HETATM 12 C10 UNL 1 2.435 0.759 0.443 1.00 0.00 C HETATM 13 O1 UNL 1 2.425 1.670 1.389 1.00 0.00 O HETATM 14 C11 UNL 1 1.084 0.388 0.024 1.00 0.00 C HETATM 15 C12 UNL 1 -0.087 0.893 0.603 1.00 0.00 C HETATM 16 C13 UNL 1 -1.203 0.338 0.001 1.00 0.00 C HETATM 17 C14 UNL 1 -2.549 0.487 0.191 1.00 0.00 C HETATM 18 C15 UNL 1 -3.481 -0.224 -0.585 1.00 0.00 C HETATM 19 N3 UNL 1 -4.847 -0.034 -0.369 1.00 0.00 N HETATM 20 C16 UNL 1 -5.887 -0.849 -0.821 1.00 0.00 C HETATM 21 O2 UNL 1 -5.664 -1.882 -1.492 1.00 0.00 O HETATM 22 C17 UNL 1 -7.300 -0.510 -0.514 1.00 0.00 C HETATM 23 C18 UNL 1 -8.380 -1.257 -0.920 1.00 0.00 C HETATM 24 C19 UNL 1 -9.505 -0.606 -0.433 1.00 0.00 C HETATM 25 C20 UNL 1 -10.858 -0.874 -0.517 1.00 0.00 C HETATM 26 C21 UNL 1 -11.759 -0.021 0.084 1.00 0.00 C HETATM 27 C22 UNL 1 -11.296 1.106 0.771 1.00 0.00 C HETATM 28 C23 UNL 1 -9.948 1.364 0.848 1.00 0.00 C HETATM 29 C24 UNL 1 -9.040 0.518 0.252 1.00 0.00 C HETATM 30 O3 UNL 1 -7.735 0.509 0.162 1.00 0.00 O HETATM 31 C25 UNL 1 -2.986 -1.070 -1.536 1.00 0.00 C HETATM 32 C26 UNL 1 -1.601 -1.206 -1.712 1.00 0.00 C HETATM 33 C27 UNL 1 -0.704 -0.510 -0.951 1.00 0.00 C HETATM 34 N4 UNL 1 0.656 -0.460 -0.917 1.00 0.00 N HETATM 35 C28 UNL 1 4.943 0.835 0.464 1.00 0.00 C HETATM 36 C29 UNL 1 5.197 2.052 0.824 1.00 0.00 C HETATM 37 C30 UNL 1 6.563 2.600 0.915 1.00 0.00 C HETATM 38 O4 UNL 1 6.833 3.735 1.307 1.00 0.00 O HETATM 39 H1 UNL 1 7.779 -1.890 -1.662 1.00 0.00 H HETATM 40 H2 UNL 1 9.122 -2.265 -0.422 1.00 0.00 H HETATM 41 H3 UNL 1 9.427 -1.361 -1.888 1.00 0.00 H HETATM 42 H4 UNL 1 10.490 0.624 -0.532 1.00 0.00 H HETATM 43 H5 UNL 1 9.397 2.649 0.536 1.00 0.00 H HETATM 44 H6 UNL 1 6.969 -2.086 0.539 1.00 0.00 H HETATM 45 H7 UNL 1 6.151 -1.335 1.947 1.00 0.00 H HETATM 46 H8 UNL 1 4.106 -1.505 0.862 1.00 0.00 H HETATM 47 H9 UNL 1 4.627 -0.137 -1.764 1.00 0.00 H HETATM 48 H10 UNL 1 3.323 -1.332 -1.270 1.00 0.00 H HETATM 49 H11 UNL 1 -0.148 1.609 1.403 1.00 0.00 H HETATM 50 H12 UNL 1 -2.939 1.146 0.932 1.00 0.00 H HETATM 51 H13 UNL 1 -5.136 0.830 0.203 1.00 0.00 H HETATM 52 H14 UNL 1 -8.360 -2.168 -1.501 1.00 0.00 H HETATM 53 H15 UNL 1 -11.217 -1.761 -1.058 1.00 0.00 H HETATM 54 H16 UNL 1 -12.831 -0.229 0.021 1.00 0.00 H HETATM 55 H17 UNL 1 -12.055 1.739 1.223 1.00 0.00 H HETATM 56 H18 UNL 1 -9.614 2.234 1.380 1.00 0.00 H HETATM 57 H19 UNL 1 -3.652 -1.641 -2.178 1.00 0.00 H HETATM 58 H20 UNL 1 -1.283 -1.891 -2.481 1.00 0.00 H HETATM 59 H21 UNL 1 1.252 -1.025 -1.570 1.00 0.00 H HETATM 60 H22 UNL 1 4.356 2.739 1.081 1.00 0.00 H CONECT 1 2 39 40 41 CONECT 2 3 3 6 CONECT 3 4 42 CONECT 4 5 43 CONECT 5 6 6 37 CONECT 6 7 CONECT 7 8 9 35 CONECT 8 9 44 45 CONECT 9 10 46 CONECT 10 11 47 48 CONECT 11 12 35 CONECT 12 13 13 14 CONECT 14 15 15 34 CONECT 15 16 49 CONECT 16 17 17 33 CONECT 17 18 50 CONECT 18 19 31 31 CONECT 19 20 51 CONECT 20 21 21 22 CONECT 22 23 23 30 CONECT 23 24 52 CONECT 24 25 25 29 CONECT 25 26 53 CONECT 26 27 27 54 CONECT 27 28 55 CONECT 28 29 29 56 CONECT 29 30 CONECT 31 32 57 CONECT 32 33 33 58 CONECT 33 34 CONECT 34 59 CONECT 35 36 36 CONECT 36 37 60 CONECT 37 38 38 END