COMPND HMDB0014582 HETATM 1 C1 UNL 1 -6.694 1.900 0.282 1.00 0.00 C HETATM 2 C2 UNL 1 -6.284 0.930 -0.816 1.00 0.00 C HETATM 3 C3 UNL 1 -7.212 -0.275 -0.663 1.00 0.00 C HETATM 4 O1 UNL 1 -4.941 0.564 -0.717 1.00 0.00 O HETATM 5 N1 UNL 1 -4.484 -0.061 0.411 1.00 0.00 N HETATM 6 C4 UNL 1 -3.210 -0.277 0.599 1.00 0.00 C HETATM 7 C5 UNL 1 -2.289 0.160 -0.409 1.00 0.00 C HETATM 8 O2 UNL 1 -2.808 0.746 -1.434 1.00 0.00 O HETATM 9 N2 UNL 1 -0.897 0.042 -0.446 1.00 0.00 N HETATM 10 C6 UNL 1 -0.136 0.547 -1.549 1.00 0.00 C HETATM 11 C7 UNL 1 0.769 -0.357 -2.254 1.00 0.00 C HETATM 12 O3 UNL 1 0.593 -1.389 -2.944 1.00 0.00 O HETATM 13 N3 UNL 1 1.867 0.425 -1.824 1.00 0.00 N HETATM 14 C8 UNL 1 3.312 0.576 -1.754 1.00 0.00 C HETATM 15 C9 UNL 1 4.014 0.400 -3.016 1.00 0.00 C HETATM 16 O4 UNL 1 5.243 0.504 -3.109 1.00 0.00 O HETATM 17 O5 UNL 1 3.344 0.105 -4.188 1.00 0.00 O1- HETATM 18 C10 UNL 1 3.902 0.776 -0.584 1.00 0.00 C HETATM 19 C11 UNL 1 5.362 0.949 -0.450 1.00 0.00 C HETATM 20 N4 UNL 1 5.999 -0.111 0.331 1.00 0.00 N1+ HETATM 21 C12 UNL 1 6.167 0.009 1.650 1.00 0.00 C HETATM 22 C13 UNL 1 6.772 -1.016 2.389 1.00 0.00 C HETATM 23 C14 UNL 1 7.203 -2.164 1.763 1.00 0.00 C HETATM 24 C15 UNL 1 7.026 -2.275 0.417 1.00 0.00 C HETATM 25 C16 UNL 1 6.419 -1.231 -0.283 1.00 0.00 C HETATM 26 C17 UNL 1 3.072 0.777 0.667 1.00 0.00 C HETATM 27 S1 UNL 1 1.487 1.604 0.484 1.00 0.00 S HETATM 28 C18 UNL 1 1.020 1.452 -1.239 1.00 0.00 C HETATM 29 C19 UNL 1 -2.800 -0.963 1.862 1.00 0.00 C HETATM 30 C20 UNL 1 -3.723 -1.363 2.801 1.00 0.00 C HETATM 31 S2 UNL 1 -2.732 -2.070 3.994 1.00 0.00 S HETATM 32 C21 UNL 1 -1.215 -1.825 3.248 1.00 0.00 C HETATM 33 N5 UNL 1 0.106 -2.189 3.718 1.00 0.00 N HETATM 34 N6 UNL 1 -1.547 -1.217 2.130 1.00 0.00 N HETATM 35 C22 UNL 1 -6.532 1.502 -2.158 1.00 0.00 C HETATM 36 O6 UNL 1 -5.591 1.582 -2.976 1.00 0.00 O HETATM 37 O7 UNL 1 -7.785 1.950 -2.526 1.00 0.00 O HETATM 38 H1 UNL 1 -5.797 2.270 0.830 1.00 0.00 H HETATM 39 H2 UNL 1 -7.229 2.777 -0.132 1.00 0.00 H HETATM 40 H3 UNL 1 -7.362 1.439 1.036 1.00 0.00 H HETATM 41 H4 UNL 1 -6.785 -0.990 0.066 1.00 0.00 H HETATM 42 H5 UNL 1 -7.336 -0.761 -1.654 1.00 0.00 H HETATM 43 H6 UNL 1 -8.203 0.117 -0.383 1.00 0.00 H HETATM 44 H7 UNL 1 -0.386 -0.418 0.330 1.00 0.00 H HETATM 45 H8 UNL 1 -0.813 1.032 -2.296 1.00 0.00 H HETATM 46 H9 UNL 1 5.884 1.174 -1.363 1.00 0.00 H HETATM 47 H10 UNL 1 5.532 1.905 0.184 1.00 0.00 H HETATM 48 H11 UNL 1 5.866 0.877 2.212 1.00 0.00 H HETATM 49 H12 UNL 1 6.914 -0.931 3.461 1.00 0.00 H HETATM 50 H13 UNL 1 7.680 -2.981 2.325 1.00 0.00 H HETATM 51 H14 UNL 1 7.359 -3.166 -0.086 1.00 0.00 H HETATM 52 H15 UNL 1 6.297 -1.356 -1.350 1.00 0.00 H HETATM 53 H16 UNL 1 3.666 1.193 1.513 1.00 0.00 H HETATM 54 H17 UNL 1 2.871 -0.289 0.988 1.00 0.00 H HETATM 55 H18 UNL 1 0.952 2.413 -1.797 1.00 0.00 H HETATM 56 H19 UNL 1 -4.825 -1.241 2.763 1.00 0.00 H HETATM 57 H20 UNL 1 0.704 -1.406 4.032 1.00 0.00 H HETATM 58 H21 UNL 1 0.398 -3.159 3.727 1.00 0.00 H HETATM 59 H22 UNL 1 -8.178 2.782 -2.124 1.00 0.00 H CONECT 1 2 38 39 40 CONECT 2 3 4 35 CONECT 3 41 42 43 CONECT 4 5 CONECT 5 6 6 CONECT 6 7 29 CONECT 7 8 8 9 CONECT 9 10 44 CONECT 10 11 28 45 CONECT 11 12 12 13 CONECT 13 14 28 CONECT 14 15 18 18 CONECT 15 16 16 17 CONECT 18 19 26 CONECT 19 20 46 47 CONECT 20 21 21 25 CONECT 21 22 48 CONECT 22 23 23 49 CONECT 23 24 50 CONECT 24 25 25 51 CONECT 25 52 CONECT 26 27 53 54 CONECT 27 28 CONECT 28 55 CONECT 29 30 30 34 CONECT 30 31 56 CONECT 31 32 CONECT 32 33 34 34 CONECT 33 57 58 CONECT 35 36 36 37 CONECT 37 59 END