COMPND HMDB0250863 HETATM 1 O1 UNL 1 -3.070 4.245 -1.140 1.00 0.00 O HETATM 2 C1 UNL 1 -2.465 5.236 -0.652 1.00 0.00 C HETATM 3 O2 UNL 1 -3.027 6.479 -0.745 1.00 0.00 O HETATM 4 C2 UNL 1 -1.138 5.032 0.020 1.00 0.00 C HETATM 5 N1 UNL 1 -0.739 3.660 0.004 1.00 0.00 N HETATM 6 C3 UNL 1 -0.555 2.959 -1.220 1.00 0.00 C HETATM 7 O3 UNL 1 -0.744 3.553 -2.297 1.00 0.00 O HETATM 8 C4 UNL 1 -0.144 1.545 -1.244 1.00 0.00 C HETATM 9 C5 UNL 1 1.153 1.315 -0.592 1.00 0.00 C HETATM 10 O4 UNL 1 1.914 2.285 -0.387 1.00 0.00 O HETATM 11 N2 UNL 1 1.597 0.029 -0.174 1.00 0.00 N HETATM 12 C6 UNL 1 3.010 -0.249 -0.010 1.00 0.00 C HETATM 13 C7 UNL 1 3.354 -0.592 1.428 1.00 0.00 C HETATM 14 C8 UNL 1 4.876 -0.626 1.498 1.00 0.00 C HETATM 15 C9 UNL 1 5.396 -1.730 0.638 1.00 0.00 C HETATM 16 C10 UNL 1 4.377 -2.334 -0.277 1.00 0.00 C HETATM 17 C11 UNL 1 3.488 -1.332 -0.947 1.00 0.00 C HETATM 18 C12 UNL 1 0.620 -0.983 0.079 1.00 0.00 C HETATM 19 O5 UNL 1 0.951 -2.140 0.449 1.00 0.00 O HETATM 20 N3 UNL 1 -0.744 -0.594 -0.117 1.00 0.00 N HETATM 21 C13 UNL 1 -1.811 -1.560 0.113 1.00 0.00 C HETATM 22 C14 UNL 1 -2.759 -1.162 1.204 1.00 0.00 C HETATM 23 C15 UNL 1 -3.509 -2.448 1.588 1.00 0.00 C HETATM 24 C16 UNL 1 -4.100 -3.115 0.395 1.00 0.00 C HETATM 25 C17 UNL 1 -4.071 -2.180 -0.774 1.00 0.00 C HETATM 26 C18 UNL 1 -2.671 -1.737 -1.141 1.00 0.00 C HETATM 27 C19 UNL 1 -1.145 0.702 -0.533 1.00 0.00 C HETATM 28 O6 UNL 1 -2.314 1.165 -0.325 1.00 0.00 O HETATM 29 H1 UNL 1 -3.575 6.765 -1.548 1.00 0.00 H HETATM 30 H2 UNL 1 -0.366 5.602 -0.568 1.00 0.00 H HETATM 31 H3 UNL 1 -1.201 5.399 1.054 1.00 0.00 H HETATM 32 H4 UNL 1 -0.580 3.157 0.888 1.00 0.00 H HETATM 33 H5 UNL 1 -0.018 1.202 -2.307 1.00 0.00 H HETATM 34 H6 UNL 1 3.584 0.667 -0.257 1.00 0.00 H HETATM 35 H7 UNL 1 3.011 -1.600 1.717 1.00 0.00 H HETATM 36 H8 UNL 1 2.960 0.204 2.081 1.00 0.00 H HETATM 37 H9 UNL 1 5.283 0.374 1.204 1.00 0.00 H HETATM 38 H10 UNL 1 5.180 -0.788 2.564 1.00 0.00 H HETATM 39 H11 UNL 1 6.305 -1.377 0.104 1.00 0.00 H HETATM 40 H12 UNL 1 5.764 -2.563 1.304 1.00 0.00 H HETATM 41 H13 UNL 1 4.950 -2.861 -1.095 1.00 0.00 H HETATM 42 H14 UNL 1 3.766 -3.111 0.202 1.00 0.00 H HETATM 43 H15 UNL 1 2.566 -1.877 -1.286 1.00 0.00 H HETATM 44 H16 UNL 1 3.944 -0.925 -1.874 1.00 0.00 H HETATM 45 H17 UNL 1 -1.348 -2.507 0.418 1.00 0.00 H HETATM 46 H18 UNL 1 -3.517 -0.400 0.890 1.00 0.00 H HETATM 47 H19 UNL 1 -2.294 -0.806 2.118 1.00 0.00 H HETATM 48 H20 UNL 1 -2.788 -3.078 2.136 1.00 0.00 H HETATM 49 H21 UNL 1 -4.293 -2.102 2.318 1.00 0.00 H HETATM 50 H22 UNL 1 -3.643 -4.104 0.169 1.00 0.00 H HETATM 51 H23 UNL 1 -5.170 -3.326 0.618 1.00 0.00 H HETATM 52 H24 UNL 1 -4.752 -1.334 -0.585 1.00 0.00 H HETATM 53 H25 UNL 1 -4.478 -2.723 -1.651 1.00 0.00 H HETATM 54 H26 UNL 1 -2.236 -2.536 -1.777 1.00 0.00 H HETATM 55 H27 UNL 1 -2.782 -0.773 -1.680 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 29 CONECT 4 5 30 31 CONECT 5 6 32 CONECT 6 7 7 8 CONECT 8 9 27 33 CONECT 9 10 10 11 CONECT 11 12 18 CONECT 12 13 17 34 CONECT 13 14 35 36 CONECT 14 15 37 38 CONECT 15 16 39 40 CONECT 16 17 41 42 CONECT 17 43 44 CONECT 18 19 19 20 CONECT 20 21 27 CONECT 21 22 26 45 CONECT 22 23 46 47 CONECT 23 24 48 49 CONECT 24 25 50 51 CONECT 25 26 52 53 CONECT 26 54 55 CONECT 27 28 28 END