COMPND HMDB0014856 HETATM 1 C1 UNL 1 -3.208 -5.788 1.506 1.00 0.00 C HETATM 2 C2 UNL 1 -3.545 -4.943 0.296 1.00 0.00 C HETATM 3 C3 UNL 1 -5.008 -4.542 0.375 1.00 0.00 C HETATM 4 C4 UNL 1 -3.305 -5.815 -0.926 1.00 0.00 C HETATM 5 C5 UNL 1 -2.684 -3.758 0.277 1.00 0.00 C HETATM 6 O1 UNL 1 -1.827 -3.571 1.181 1.00 0.00 O HETATM 7 O2 UNL 1 -2.751 -2.784 -0.712 1.00 0.00 O HETATM 8 C6 UNL 1 -1.889 -1.658 -0.676 1.00 0.00 C HETATM 9 O3 UNL 1 -2.132 -0.981 0.499 1.00 0.00 O HETATM 10 P1 UNL 1 -1.158 0.391 0.656 1.00 0.00 P HETATM 11 O4 UNL 1 -1.232 1.249 -0.590 1.00 0.00 O HETATM 12 C7 UNL 1 0.592 -0.149 0.788 1.00 0.00 C HETATM 13 O5 UNL 1 1.421 0.943 0.734 1.00 0.00 O HETATM 14 C8 UNL 1 2.761 0.669 0.827 1.00 0.00 C HETATM 15 C9 UNL 1 3.227 -0.224 -0.277 1.00 0.00 C HETATM 16 N1 UNL 1 4.666 -0.478 -0.123 1.00 0.00 N HETATM 17 C10 UNL 1 5.266 -1.469 0.560 1.00 0.00 C HETATM 18 N2 UNL 1 6.606 -1.364 0.464 1.00 0.00 N HETATM 19 C11 UNL 1 6.888 -0.304 -0.281 1.00 0.00 C HETATM 20 C12 UNL 1 8.084 0.247 -0.685 1.00 0.00 C HETATM 21 N3 UNL 1 9.361 -0.270 -0.344 1.00 0.00 N HETATM 22 N4 UNL 1 8.021 1.347 -1.453 1.00 0.00 N HETATM 23 C13 UNL 1 6.835 1.888 -1.812 1.00 0.00 C HETATM 24 N5 UNL 1 5.667 1.353 -1.419 1.00 0.00 N HETATM 25 C14 UNL 1 5.670 0.249 -0.647 1.00 0.00 C HETATM 26 O6 UNL 1 -1.632 1.216 2.036 1.00 0.00 O HETATM 27 C15 UNL 1 -1.067 2.465 2.150 1.00 0.00 C HETATM 28 O7 UNL 1 -1.396 3.324 1.061 1.00 0.00 O HETATM 29 C16 UNL 1 -2.691 3.670 0.750 1.00 0.00 C HETATM 30 O8 UNL 1 -3.609 3.203 1.464 1.00 0.00 O HETATM 31 C17 UNL 1 -3.050 4.561 -0.378 1.00 0.00 C HETATM 32 C18 UNL 1 -4.536 4.744 -0.453 1.00 0.00 C HETATM 33 C19 UNL 1 -2.409 5.931 -0.234 1.00 0.00 C HETATM 34 C20 UNL 1 -2.586 3.984 -1.709 1.00 0.00 C HETATM 35 H1 UNL 1 -3.550 -5.358 2.447 1.00 0.00 H HETATM 36 H2 UNL 1 -3.705 -6.782 1.332 1.00 0.00 H HETATM 37 H3 UNL 1 -2.121 -6.006 1.502 1.00 0.00 H HETATM 38 H4 UNL 1 -5.344 -4.226 -0.633 1.00 0.00 H HETATM 39 H5 UNL 1 -5.066 -3.665 1.051 1.00 0.00 H HETATM 40 H6 UNL 1 -5.601 -5.374 0.782 1.00 0.00 H HETATM 41 H7 UNL 1 -3.725 -5.357 -1.842 1.00 0.00 H HETATM 42 H8 UNL 1 -2.195 -5.862 -1.056 1.00 0.00 H HETATM 43 H9 UNL 1 -3.703 -6.819 -0.733 1.00 0.00 H HETATM 44 H10 UNL 1 -0.847 -2.053 -0.646 1.00 0.00 H HETATM 45 H11 UNL 1 -1.999 -1.018 -1.559 1.00 0.00 H HETATM 46 H12 UNL 1 0.744 -0.786 -0.132 1.00 0.00 H HETATM 47 H13 UNL 1 0.658 -0.731 1.711 1.00 0.00 H HETATM 48 H14 UNL 1 3.027 0.272 1.842 1.00 0.00 H HETATM 49 H15 UNL 1 3.303 1.641 0.754 1.00 0.00 H HETATM 50 H16 UNL 1 3.014 0.282 -1.235 1.00 0.00 H HETATM 51 H17 UNL 1 2.726 -1.198 -0.305 1.00 0.00 H HETATM 52 H18 UNL 1 4.695 -2.237 1.105 1.00 0.00 H HETATM 53 H19 UNL 1 9.681 -0.426 0.643 1.00 0.00 H HETATM 54 H20 UNL 1 10.072 -0.533 -1.086 1.00 0.00 H HETATM 55 H21 UNL 1 6.836 2.791 -2.442 1.00 0.00 H HETATM 56 H22 UNL 1 -1.406 2.899 3.114 1.00 0.00 H HETATM 57 H23 UNL 1 0.041 2.439 2.189 1.00 0.00 H HETATM 58 H24 UNL 1 -5.019 3.811 -0.837 1.00 0.00 H HETATM 59 H25 UNL 1 -4.798 5.628 -1.056 1.00 0.00 H HETATM 60 H26 UNL 1 -4.926 4.899 0.591 1.00 0.00 H HETATM 61 H27 UNL 1 -2.212 6.122 0.840 1.00 0.00 H HETATM 62 H28 UNL 1 -3.083 6.663 -0.699 1.00 0.00 H HETATM 63 H29 UNL 1 -1.429 5.968 -0.769 1.00 0.00 H HETATM 64 H30 UNL 1 -2.962 2.972 -1.872 1.00 0.00 H HETATM 65 H31 UNL 1 -1.472 4.032 -1.765 1.00 0.00 H HETATM 66 H32 UNL 1 -2.985 4.674 -2.498 1.00 0.00 H CONECT 1 2 35 36 37 CONECT 2 3 4 5 CONECT 3 38 39 40 CONECT 4 41 42 43 CONECT 5 6 6 7 CONECT 7 8 CONECT 8 9 44 45 CONECT 9 10 CONECT 10 11 11 12 26 CONECT 12 13 46 47 CONECT 13 14 CONECT 14 15 48 49 CONECT 15 16 50 51 CONECT 16 17 25 CONECT 17 18 18 52 CONECT 18 19 CONECT 19 20 20 25 CONECT 20 21 22 CONECT 21 53 54 CONECT 22 23 23 CONECT 23 24 55 CONECT 24 25 25 CONECT 26 27 CONECT 27 28 56 57 CONECT 28 29 CONECT 29 30 30 31 CONECT 31 32 33 34 CONECT 32 58 59 60 CONECT 33 61 62 63 CONECT 34 64 65 66 END