COMPND HMDB0247287 HETATM 1 C1 UNL 1 4.457 3.824 -0.676 1.00 0.00 C HETATM 2 C2 UNL 1 3.851 2.462 -0.467 1.00 0.00 C HETATM 3 C3 UNL 1 4.762 1.348 -0.894 1.00 0.00 C HETATM 4 O1 UNL 1 5.062 1.464 -2.251 1.00 0.00 O HETATM 5 C4 UNL 1 6.067 1.389 -0.156 1.00 0.00 C HETATM 6 O2 UNL 1 6.456 2.397 0.487 1.00 0.00 O HETATM 7 O3 UNL 1 6.853 0.247 -0.208 1.00 0.00 O HETATM 8 C5 UNL 1 6.390 -0.948 -0.857 1.00 0.00 C HETATM 9 C6 UNL 1 4.949 -1.117 -0.538 1.00 0.00 C HETATM 10 C7 UNL 1 4.160 0.031 -0.561 1.00 0.00 C HETATM 11 C8 UNL 1 2.836 -0.135 -0.265 1.00 0.00 C HETATM 12 C9 UNL 1 2.325 -1.403 0.041 1.00 0.00 C HETATM 13 N1 UNL 1 3.108 -2.482 0.055 1.00 0.00 N HETATM 14 C10 UNL 1 4.438 -2.355 -0.236 1.00 0.00 C HETATM 15 O4 UNL 1 5.123 -3.384 -0.210 1.00 0.00 O HETATM 16 C11 UNL 1 2.292 -3.621 0.403 1.00 0.00 C HETATM 17 C12 UNL 1 0.925 -3.079 0.594 1.00 0.00 C HETATM 18 C13 UNL 1 -0.298 -3.634 0.931 1.00 0.00 C HETATM 19 C14 UNL 1 -1.438 -2.856 1.038 1.00 0.00 C HETATM 20 C15 UNL 1 -2.653 -3.438 1.378 1.00 0.00 C HETATM 21 C16 UNL 1 -3.806 -2.696 1.494 1.00 0.00 C HETATM 22 C17 UNL 1 -3.734 -1.318 1.259 1.00 0.00 C HETATM 23 C18 UNL 1 -2.539 -0.720 0.920 1.00 0.00 C HETATM 24 C19 UNL 1 -2.406 0.692 0.667 1.00 0.00 C HETATM 25 N2 UNL 1 -3.281 1.606 0.699 1.00 0.00 N HETATM 26 O5 UNL 1 -4.565 1.433 0.988 1.00 0.00 O HETATM 27 C20 UNL 1 -5.684 1.721 0.203 1.00 0.00 C HETATM 28 C21 UNL 1 -6.916 1.322 1.027 1.00 0.00 C HETATM 29 C22 UNL 1 -5.741 3.185 -0.165 1.00 0.00 C HETATM 30 C23 UNL 1 -5.694 0.879 -1.038 1.00 0.00 C HETATM 31 C24 UNL 1 -1.382 -1.501 0.810 1.00 0.00 C HETATM 32 N3 UNL 1 -0.191 -0.976 0.484 1.00 0.00 N HETATM 33 C25 UNL 1 0.942 -1.719 0.373 1.00 0.00 C HETATM 34 H1 UNL 1 5.111 3.883 -1.553 1.00 0.00 H HETATM 35 H2 UNL 1 3.621 4.539 -0.831 1.00 0.00 H HETATM 36 H3 UNL 1 4.968 4.185 0.264 1.00 0.00 H HETATM 37 H4 UNL 1 3.493 2.343 0.556 1.00 0.00 H HETATM 38 H5 UNL 1 2.957 2.409 -1.147 1.00 0.00 H HETATM 39 H6 UNL 1 4.359 2.022 -2.691 1.00 0.00 H HETATM 40 H7 UNL 1 6.501 -0.805 -1.959 1.00 0.00 H HETATM 41 H8 UNL 1 6.945 -1.822 -0.505 1.00 0.00 H HETATM 42 H9 UNL 1 2.207 0.735 -0.276 1.00 0.00 H HETATM 43 H10 UNL 1 2.317 -4.408 -0.391 1.00 0.00 H HETATM 44 H11 UNL 1 2.657 -4.016 1.379 1.00 0.00 H HETATM 45 H12 UNL 1 -0.369 -4.693 1.115 1.00 0.00 H HETATM 46 H13 UNL 1 -2.677 -4.506 1.554 1.00 0.00 H HETATM 47 H14 UNL 1 -4.765 -3.120 1.757 1.00 0.00 H HETATM 48 H15 UNL 1 -4.651 -0.754 1.355 1.00 0.00 H HETATM 49 H16 UNL 1 -1.391 1.059 0.402 1.00 0.00 H HETATM 50 H17 UNL 1 -7.849 1.607 0.542 1.00 0.00 H HETATM 51 H18 UNL 1 -6.762 1.781 2.027 1.00 0.00 H HETATM 52 H19 UNL 1 -6.870 0.227 1.168 1.00 0.00 H HETATM 53 H20 UNL 1 -4.738 3.653 -0.092 1.00 0.00 H HETATM 54 H21 UNL 1 -6.125 3.303 -1.190 1.00 0.00 H HETATM 55 H22 UNL 1 -6.480 3.685 0.519 1.00 0.00 H HETATM 56 H23 UNL 1 -4.848 1.176 -1.717 1.00 0.00 H HETATM 57 H24 UNL 1 -6.641 1.088 -1.589 1.00 0.00 H HETATM 58 H25 UNL 1 -5.640 -0.193 -0.761 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 37 38 CONECT 3 4 5 10 CONECT 4 39 CONECT 5 6 6 7 CONECT 7 8 CONECT 8 9 40 41 CONECT 9 10 10 14 CONECT 10 11 CONECT 11 12 12 42 CONECT 12 13 33 CONECT 13 14 16 CONECT 14 15 15 CONECT 16 17 43 44 CONECT 17 18 18 33 CONECT 18 19 45 CONECT 19 20 20 31 CONECT 20 21 46 CONECT 21 22 22 47 CONECT 22 23 48 CONECT 23 24 31 31 CONECT 24 25 25 49 CONECT 25 26 CONECT 26 27 CONECT 27 28 29 30 CONECT 28 50 51 52 CONECT 29 53 54 55 CONECT 30 56 57 58 CONECT 31 32 CONECT 32 33 33 END