COMPND HMDB0014574 HETATM 1 C1 UNL 1 -9.739 2.753 1.138 1.00 0.00 C HETATM 2 C2 UNL 1 -8.382 2.295 0.775 1.00 0.00 C HETATM 3 C3 UNL 1 -7.667 1.487 1.613 1.00 0.00 C HETATM 4 C4 UNL 1 -6.372 1.061 1.241 1.00 0.00 C HETATM 5 O1 UNL 1 -5.703 0.258 2.110 1.00 0.00 O HETATM 6 C5 UNL 1 -5.810 1.442 0.051 1.00 0.00 C HETATM 7 C6 UNL 1 -4.493 1.086 -0.417 1.00 0.00 C HETATM 8 O2 UNL 1 -4.124 1.522 -1.550 1.00 0.00 O HETATM 9 N1 UNL 1 -3.561 0.295 0.266 1.00 0.00 N HETATM 10 C7 UNL 1 -2.225 -0.044 -0.222 1.00 0.00 C HETATM 11 C8 UNL 1 -1.241 0.527 0.695 1.00 0.00 C HETATM 12 O3 UNL 1 -1.665 1.203 1.700 1.00 0.00 O HETATM 13 N2 UNL 1 0.163 0.405 0.574 1.00 0.00 N HETATM 14 C9 UNL 1 1.024 1.014 1.524 1.00 0.00 C HETATM 15 C10 UNL 1 2.046 1.940 0.970 1.00 0.00 C HETATM 16 O4 UNL 1 1.976 3.057 0.411 1.00 0.00 O HETATM 17 N3 UNL 1 3.028 1.007 1.361 1.00 0.00 N HETATM 18 C11 UNL 1 4.440 0.674 1.259 1.00 0.00 C HETATM 19 C12 UNL 1 5.357 1.780 1.364 1.00 0.00 C HETATM 20 O5 UNL 1 4.917 2.941 1.636 1.00 0.00 O HETATM 21 O6 UNL 1 6.708 1.689 1.189 1.00 0.00 O HETATM 22 C13 UNL 1 4.804 -0.565 1.001 1.00 0.00 C HETATM 23 C14 UNL 1 6.222 -0.970 0.894 1.00 0.00 C HETATM 24 S1 UNL 1 6.571 -1.651 -0.769 1.00 0.00 S HETATM 25 C15 UNL 1 6.427 -0.476 -2.062 1.00 0.00 C HETATM 26 N4 UNL 1 5.321 -0.160 -2.762 1.00 0.00 N HETATM 27 N5 UNL 1 5.613 0.732 -3.671 1.00 0.00 N HETATM 28 N6 UNL 1 6.912 0.994 -3.554 1.00 0.00 N HETATM 29 N7 UNL 1 7.421 0.264 -2.576 1.00 0.00 N HETATM 30 C16 UNL 1 8.822 0.257 -2.120 1.00 0.00 C HETATM 31 C17 UNL 1 3.833 -1.683 0.714 1.00 0.00 C HETATM 32 S2 UNL 1 2.267 -1.510 1.558 1.00 0.00 S HETATM 33 C18 UNL 1 2.109 0.184 2.124 1.00 0.00 C HETATM 34 C19 UNL 1 -2.069 -1.456 -0.553 1.00 0.00 C HETATM 35 C20 UNL 1 -1.174 -2.298 0.095 1.00 0.00 C HETATM 36 C21 UNL 1 -1.053 -3.622 -0.291 1.00 0.00 C HETATM 37 C22 UNL 1 -1.791 -4.154 -1.303 1.00 0.00 C HETATM 38 O7 UNL 1 -1.654 -5.478 -1.669 1.00 0.00 O HETATM 39 C23 UNL 1 -2.679 -3.317 -1.944 1.00 0.00 C HETATM 40 C24 UNL 1 -2.812 -2.000 -1.574 1.00 0.00 C HETATM 41 C25 UNL 1 -6.596 2.262 -0.747 1.00 0.00 C HETATM 42 N8 UNL 1 -7.825 2.662 -0.389 1.00 0.00 N HETATM 43 H1 UNL 1 -10.385 2.832 0.221 1.00 0.00 H HETATM 44 H2 UNL 1 -10.239 2.089 1.864 1.00 0.00 H HETATM 45 H3 UNL 1 -9.706 3.775 1.561 1.00 0.00 H HETATM 46 H4 UNL 1 -8.076 1.169 2.557 1.00 0.00 H HETATM 47 H5 UNL 1 -6.052 -0.012 2.983 1.00 0.00 H HETATM 48 H6 UNL 1 -3.770 -0.108 1.194 1.00 0.00 H HETATM 49 H7 UNL 1 -2.153 0.502 -1.211 1.00 0.00 H HETATM 50 H8 UNL 1 0.566 -0.131 -0.210 1.00 0.00 H HETATM 51 H9 UNL 1 0.463 1.560 2.332 1.00 0.00 H HETATM 52 H10 UNL 1 7.369 2.435 1.336 1.00 0.00 H HETATM 53 H11 UNL 1 6.259 -1.931 1.550 1.00 0.00 H HETATM 54 H12 UNL 1 6.980 -0.331 1.288 1.00 0.00 H HETATM 55 H13 UNL 1 9.440 0.599 -2.938 1.00 0.00 H HETATM 56 H14 UNL 1 9.061 -0.770 -1.778 1.00 0.00 H HETATM 57 H15 UNL 1 8.820 0.977 -1.256 1.00 0.00 H HETATM 58 H16 UNL 1 4.315 -2.615 1.109 1.00 0.00 H HETATM 59 H17 UNL 1 3.727 -1.777 -0.391 1.00 0.00 H HETATM 60 H18 UNL 1 2.206 0.308 3.233 1.00 0.00 H HETATM 61 H19 UNL 1 -0.587 -1.899 0.898 1.00 0.00 H HETATM 62 H20 UNL 1 -0.351 -4.294 0.212 1.00 0.00 H HETATM 63 H21 UNL 1 -2.201 -6.245 -1.274 1.00 0.00 H HETATM 64 H22 UNL 1 -3.263 -3.736 -2.745 1.00 0.00 H HETATM 65 H23 UNL 1 -3.534 -1.419 -2.140 1.00 0.00 H HETATM 66 H24 UNL 1 -6.232 2.612 -1.708 1.00 0.00 H CONECT 1 2 43 44 45 CONECT 2 3 3 42 CONECT 3 4 46 CONECT 4 5 6 6 CONECT 5 47 CONECT 6 7 41 CONECT 7 8 8 9 CONECT 9 10 48 CONECT 10 11 34 49 CONECT 11 12 12 13 CONECT 13 14 50 CONECT 14 15 33 51 CONECT 15 16 16 17 CONECT 17 18 33 CONECT 18 19 22 22 CONECT 19 20 20 21 CONECT 21 52 CONECT 22 23 31 CONECT 23 24 53 54 CONECT 24 25 CONECT 25 26 26 29 CONECT 26 27 CONECT 27 28 28 CONECT 28 29 CONECT 29 30 CONECT 30 55 56 57 CONECT 31 32 58 59 CONECT 32 33 CONECT 33 60 CONECT 34 35 35 40 CONECT 35 36 61 CONECT 36 37 37 62 CONECT 37 38 39 CONECT 38 63 CONECT 39 40 40 64 CONECT 40 65 CONECT 41 42 42 66 END