COMPND HMDB0258512 HETATM 1 C1 UNL 1 8.888 2.517 0.482 1.00 0.00 C HETATM 2 O1 UNL 1 8.187 1.500 1.137 1.00 0.00 O HETATM 3 C2 UNL 1 6.946 1.033 0.796 1.00 0.00 C HETATM 4 C3 UNL 1 6.818 -0.019 0.040 1.00 0.00 C HETATM 5 N1 UNL 1 7.929 -0.753 -0.481 1.00 0.00 N HETATM 6 C4 UNL 1 5.491 -0.511 -0.319 1.00 0.00 C HETATM 7 O2 UNL 1 5.358 -1.542 -1.059 1.00 0.00 O HETATM 8 C5 UNL 1 4.288 0.136 0.140 1.00 0.00 C HETATM 9 N2 UNL 1 3.080 -0.320 -0.193 1.00 0.00 N HETATM 10 C6 UNL 1 1.910 0.268 0.224 1.00 0.00 C HETATM 11 C7 UNL 1 0.693 -0.375 -0.243 1.00 0.00 C HETATM 12 N3 UNL 1 0.825 -1.488 -1.041 1.00 0.00 N HETATM 13 C8 UNL 1 -0.241 -2.153 -1.523 1.00 0.00 C HETATM 14 C9 UNL 1 -0.056 -3.325 -2.364 1.00 0.00 C HETATM 15 O3 UNL 1 1.105 -3.719 -2.641 1.00 0.00 O HETATM 16 O4 UNL 1 -1.117 -4.028 -2.874 1.00 0.00 O HETATM 17 C10 UNL 1 -1.498 -1.695 -1.200 1.00 0.00 C HETATM 18 C11 UNL 1 -2.699 -2.390 -1.705 1.00 0.00 C HETATM 19 C12 UNL 1 -1.687 -0.592 -0.409 1.00 0.00 C HETATM 20 C13 UNL 1 -3.024 -0.137 -0.089 1.00 0.00 C HETATM 21 C14 UNL 1 -3.581 0.790 -0.979 1.00 0.00 C HETATM 22 C15 UNL 1 -4.842 1.275 -0.754 1.00 0.00 C HETATM 23 C16 UNL 1 -5.551 0.853 0.337 1.00 0.00 C HETATM 24 O5 UNL 1 -6.821 1.330 0.579 1.00 0.00 O HETATM 25 C17 UNL 1 -7.392 2.266 -0.315 1.00 0.00 C HETATM 26 C18 UNL 1 -5.010 -0.063 1.223 1.00 0.00 C HETATM 27 O6 UNL 1 -5.753 -0.486 2.340 1.00 0.00 O HETATM 28 C19 UNL 1 -6.584 -1.634 2.169 1.00 0.00 C HETATM 29 C20 UNL 1 -3.742 -0.546 0.991 1.00 0.00 C HETATM 30 O7 UNL 1 -3.152 -1.475 1.862 1.00 0.00 O HETATM 31 C21 UNL 1 -0.550 0.086 0.082 1.00 0.00 C HETATM 32 N4 UNL 1 -0.842 1.213 0.890 1.00 0.00 N HETATM 33 C22 UNL 1 1.995 1.368 1.014 1.00 0.00 C HETATM 34 C23 UNL 1 3.266 1.843 1.360 1.00 0.00 C HETATM 35 C24 UNL 1 4.429 1.256 0.944 1.00 0.00 C HETATM 36 C25 UNL 1 5.765 1.726 1.288 1.00 0.00 C HETATM 37 O8 UNL 1 5.842 2.747 2.021 1.00 0.00 O HETATM 38 H1 UNL 1 9.869 2.643 1.024 1.00 0.00 H HETATM 39 H2 UNL 1 8.386 3.519 0.579 1.00 0.00 H HETATM 40 H3 UNL 1 9.115 2.271 -0.578 1.00 0.00 H HETATM 41 H4 UNL 1 8.790 -0.832 0.075 1.00 0.00 H HETATM 42 H5 UNL 1 7.862 -1.196 -1.405 1.00 0.00 H HETATM 43 H6 UNL 1 -1.152 -4.475 -3.763 1.00 0.00 H HETATM 44 H7 UNL 1 -3.627 -1.946 -1.267 1.00 0.00 H HETATM 45 H8 UNL 1 -2.755 -2.433 -2.809 1.00 0.00 H HETATM 46 H9 UNL 1 -2.685 -3.429 -1.319 1.00 0.00 H HETATM 47 H10 UNL 1 -3.028 1.135 -1.852 1.00 0.00 H HETATM 48 H11 UNL 1 -5.253 2.001 -1.471 1.00 0.00 H HETATM 49 H12 UNL 1 -7.344 1.889 -1.373 1.00 0.00 H HETATM 50 H13 UNL 1 -8.445 2.490 -0.015 1.00 0.00 H HETATM 51 H14 UNL 1 -6.756 3.177 -0.294 1.00 0.00 H HETATM 52 H15 UNL 1 -7.636 -1.358 2.406 1.00 0.00 H HETATM 53 H16 UNL 1 -6.557 -2.024 1.143 1.00 0.00 H HETATM 54 H17 UNL 1 -6.306 -2.449 2.858 1.00 0.00 H HETATM 55 H18 UNL 1 -3.676 -1.788 2.670 1.00 0.00 H HETATM 56 H19 UNL 1 -0.960 1.098 1.916 1.00 0.00 H HETATM 57 H20 UNL 1 -0.960 2.162 0.476 1.00 0.00 H HETATM 58 H21 UNL 1 1.128 1.878 1.376 1.00 0.00 H HETATM 59 H22 UNL 1 3.313 2.711 1.983 1.00 0.00 H CONECT 1 2 38 39 40 CONECT 2 3 CONECT 3 4 4 36 CONECT 4 5 6 CONECT 5 41 42 CONECT 6 7 7 8 CONECT 8 9 9 35 CONECT 9 10 CONECT 10 11 33 33 CONECT 11 12 12 31 CONECT 12 13 CONECT 13 14 17 17 CONECT 14 15 15 16 CONECT 16 43 CONECT 17 18 19 CONECT 18 44 45 46 CONECT 19 20 31 31 CONECT 20 21 21 29 CONECT 21 22 47 CONECT 22 23 23 48 CONECT 23 24 26 CONECT 24 25 CONECT 25 49 50 51 CONECT 26 27 29 29 CONECT 27 28 CONECT 28 52 53 54 CONECT 29 30 CONECT 30 55 CONECT 31 32 CONECT 32 56 57 CONECT 33 34 58 CONECT 34 35 35 59 CONECT 35 36 CONECT 36 37 37 END