COMPND HMDB0242226 HETATM 1 C1 UNL 1 -2.592 3.023 -2.351 1.00 0.00 C HETATM 2 C2 UNL 1 -2.297 2.109 -1.165 1.00 0.00 C HETATM 3 C3 UNL 1 -2.483 2.989 0.077 1.00 0.00 C HETATM 4 C4 UNL 1 -3.301 1.019 -1.161 1.00 0.00 C HETATM 5 C5 UNL 1 -4.266 0.913 -2.159 1.00 0.00 C HETATM 6 C6 UNL 1 -5.192 -0.109 -2.138 1.00 0.00 C HETATM 7 C7 UNL 1 -5.153 -1.038 -1.105 1.00 0.00 C HETATM 8 C8 UNL 1 -4.210 -0.953 -0.112 1.00 0.00 C HETATM 9 C9 UNL 1 -4.173 -1.924 0.985 1.00 0.00 C HETATM 10 C10 UNL 1 -5.087 -3.110 0.759 1.00 0.00 C HETATM 11 C11 UNL 1 -4.782 -1.198 2.201 1.00 0.00 C HETATM 12 C12 UNL 1 -3.307 0.065 -0.154 1.00 0.00 C HETATM 13 O1 UNL 1 -2.354 0.155 0.843 1.00 0.00 O HETATM 14 C13 UNL 1 -1.157 -0.585 0.753 1.00 0.00 C HETATM 15 O2 UNL 1 -1.072 -1.308 -0.301 1.00 0.00 O HETATM 16 N1 UNL 1 -0.130 -0.554 1.716 1.00 0.00 N HETATM 17 S1 UNL 1 1.284 -1.496 1.502 1.00 0.00 S HETATM 18 O3 UNL 1 1.079 -2.353 0.255 1.00 0.00 O HETATM 19 O4 UNL 1 1.343 -2.419 2.718 1.00 0.00 O HETATM 20 O5 UNL 1 2.699 -0.607 1.342 1.00 0.00 O HETATM 21 C14 UNL 1 3.299 -0.216 0.176 1.00 0.00 C HETATM 22 C15 UNL 1 2.991 0.982 -0.405 1.00 0.00 C HETATM 23 C16 UNL 1 1.989 1.898 0.229 1.00 0.00 C HETATM 24 C17 UNL 1 1.998 3.235 -0.510 1.00 0.00 C HETATM 25 C18 UNL 1 2.458 2.143 1.642 1.00 0.00 C HETATM 26 C19 UNL 1 3.620 1.330 -1.580 1.00 0.00 C HETATM 27 C20 UNL 1 4.549 0.504 -2.183 1.00 0.00 C HETATM 28 C21 UNL 1 4.828 -0.699 -1.557 1.00 0.00 C HETATM 29 C22 UNL 1 4.232 -1.095 -0.386 1.00 0.00 C HETATM 30 C23 UNL 1 4.582 -2.385 0.229 1.00 0.00 C HETATM 31 C24 UNL 1 5.516 -3.142 -0.714 1.00 0.00 C HETATM 32 C25 UNL 1 5.430 -2.065 1.464 1.00 0.00 C HETATM 33 H1 UNL 1 -3.643 3.395 -2.200 1.00 0.00 H HETATM 34 H2 UNL 1 -1.959 3.940 -2.323 1.00 0.00 H HETATM 35 H3 UNL 1 -2.479 2.527 -3.318 1.00 0.00 H HETATM 36 H4 UNL 1 -1.256 1.753 -1.260 1.00 0.00 H HETATM 37 H5 UNL 1 -2.143 4.010 -0.189 1.00 0.00 H HETATM 38 H6 UNL 1 -1.877 2.640 0.931 1.00 0.00 H HETATM 39 H7 UNL 1 -3.570 3.057 0.304 1.00 0.00 H HETATM 40 H8 UNL 1 -4.300 1.634 -2.965 1.00 0.00 H HETATM 41 H9 UNL 1 -5.955 -0.197 -2.921 1.00 0.00 H HETATM 42 H10 UNL 1 -5.905 -1.812 -1.145 1.00 0.00 H HETATM 43 H11 UNL 1 -3.163 -2.228 1.297 1.00 0.00 H HETATM 44 H12 UNL 1 -4.966 -3.754 1.655 1.00 0.00 H HETATM 45 H13 UNL 1 -4.796 -3.732 -0.101 1.00 0.00 H HETATM 46 H14 UNL 1 -6.122 -2.786 0.635 1.00 0.00 H HETATM 47 H15 UNL 1 -5.813 -0.844 1.894 1.00 0.00 H HETATM 48 H16 UNL 1 -4.966 -1.922 3.026 1.00 0.00 H HETATM 49 H17 UNL 1 -4.153 -0.385 2.563 1.00 0.00 H HETATM 50 H18 UNL 1 -0.229 0.034 2.552 1.00 0.00 H HETATM 51 H19 UNL 1 0.964 1.473 0.169 1.00 0.00 H HETATM 52 H20 UNL 1 1.487 3.990 0.124 1.00 0.00 H HETATM 53 H21 UNL 1 1.625 3.166 -1.531 1.00 0.00 H HETATM 54 H22 UNL 1 3.083 3.550 -0.530 1.00 0.00 H HETATM 55 H23 UNL 1 1.651 1.892 2.388 1.00 0.00 H HETATM 56 H24 UNL 1 2.741 3.203 1.820 1.00 0.00 H HETATM 57 H25 UNL 1 3.388 1.554 1.898 1.00 0.00 H HETATM 58 H26 UNL 1 3.393 2.277 -2.065 1.00 0.00 H HETATM 59 H27 UNL 1 5.029 0.795 -3.098 1.00 0.00 H HETATM 60 H28 UNL 1 5.561 -1.311 -2.063 1.00 0.00 H HETATM 61 H29 UNL 1 3.738 -2.999 0.529 1.00 0.00 H HETATM 62 H30 UNL 1 6.504 -2.649 -0.805 1.00 0.00 H HETATM 63 H31 UNL 1 5.733 -4.167 -0.290 1.00 0.00 H HETATM 64 H32 UNL 1 5.041 -3.239 -1.714 1.00 0.00 H HETATM 65 H33 UNL 1 5.003 -1.221 2.023 1.00 0.00 H HETATM 66 H34 UNL 1 6.442 -1.773 1.057 1.00 0.00 H HETATM 67 H35 UNL 1 5.570 -2.983 2.038 1.00 0.00 H CONECT 1 2 33 34 35 CONECT 2 3 4 36 CONECT 3 37 38 39 CONECT 4 5 5 12 CONECT 5 6 40 CONECT 6 7 7 41 CONECT 7 8 42 CONECT 8 9 12 12 CONECT 9 10 11 43 CONECT 10 44 45 46 CONECT 11 47 48 49 CONECT 12 13 CONECT 13 14 CONECT 14 15 15 16 CONECT 16 17 50 CONECT 17 18 18 19 19 CONECT 17 20 CONECT 20 21 CONECT 21 22 22 29 CONECT 22 23 26 CONECT 23 24 25 51 CONECT 24 52 53 54 CONECT 25 55 56 57 CONECT 26 27 27 58 CONECT 27 28 59 CONECT 28 29 29 60 CONECT 29 30 CONECT 30 31 32 61 CONECT 31 62 63 64 CONECT 32 65 66 67 END