COMPND HMDB0059644 HETATM 1 N1 UNL 1 -9.084 3.106 2.267 1.00 0.00 N HETATM 2 C1 UNL 1 -7.879 2.494 1.869 1.00 0.00 C HETATM 3 O1 UNL 1 -6.790 2.978 2.233 1.00 0.00 O HETATM 4 C2 UNL 1 -7.902 1.312 1.042 1.00 0.00 C HETATM 5 C3 UNL 1 -6.745 0.737 0.667 1.00 0.00 C HETATM 6 N2 UNL 1 -6.706 -0.428 -0.146 1.00 0.00 N HETATM 7 C4 UNL 1 -5.541 -0.798 -0.927 1.00 0.00 C HETATM 8 O2 UNL 1 -4.409 -0.983 -0.171 1.00 0.00 O HETATM 9 C5 UNL 1 -3.325 -0.600 -0.963 1.00 0.00 C HETATM 10 C6 UNL 1 -2.087 -0.392 -0.124 1.00 0.00 C HETATM 11 O3 UNL 1 -1.778 -1.568 0.516 1.00 0.00 O HETATM 12 P1 UNL 1 -0.421 -1.481 1.485 1.00 0.00 P HETATM 13 O4 UNL 1 -0.834 -0.939 2.832 1.00 0.00 O HETATM 14 O5 UNL 1 0.301 -2.999 1.709 1.00 0.00 O HETATM 15 O6 UNL 1 0.744 -0.421 0.854 1.00 0.00 O HETATM 16 P2 UNL 1 2.138 -0.481 1.780 1.00 0.00 P HETATM 17 O7 UNL 1 2.195 0.765 2.624 1.00 0.00 O HETATM 18 O8 UNL 1 2.066 -1.836 2.806 1.00 0.00 O HETATM 19 O9 UNL 1 3.533 -0.607 0.869 1.00 0.00 O HETATM 20 C7 UNL 1 3.342 -1.381 -0.266 1.00 0.00 C HETATM 21 C8 UNL 1 4.614 -1.481 -1.071 1.00 0.00 C HETATM 22 O10 UNL 1 5.091 -0.263 -1.504 1.00 0.00 O HETATM 23 C9 UNL 1 6.454 -0.314 -1.567 1.00 0.00 C HETATM 24 N3 UNL 1 6.989 0.756 -0.727 1.00 0.00 N HETATM 25 C10 UNL 1 6.318 1.608 0.067 1.00 0.00 C HETATM 26 N4 UNL 1 7.157 2.450 0.680 1.00 0.00 N HETATM 27 C11 UNL 1 8.406 2.160 0.292 1.00 0.00 C HETATM 28 C12 UNL 1 9.660 2.661 0.569 1.00 0.00 C HETATM 29 N5 UNL 1 9.815 3.745 1.464 1.00 0.00 N HETATM 30 N6 UNL 1 10.750 2.126 -0.007 1.00 0.00 N HETATM 31 C13 UNL 1 10.648 1.084 -0.872 1.00 0.00 C HETATM 32 N7 UNL 1 9.418 0.620 -1.121 1.00 0.00 N HETATM 33 C14 UNL 1 8.296 1.100 -0.588 1.00 0.00 C HETATM 34 C15 UNL 1 6.939 -1.617 -1.031 1.00 0.00 C HETATM 35 O11 UNL 1 7.174 -2.483 -2.109 1.00 0.00 O HETATM 36 C16 UNL 1 5.728 -2.133 -0.281 1.00 0.00 C HETATM 37 O12 UNL 1 5.651 -3.521 -0.330 1.00 0.00 O HETATM 38 C17 UNL 1 -3.841 0.712 -1.540 1.00 0.00 C HETATM 39 O13 UNL 1 -3.109 1.118 -2.642 1.00 0.00 O HETATM 40 C18 UNL 1 -5.265 0.332 -1.896 1.00 0.00 C HETATM 41 O14 UNL 1 -5.228 -0.137 -3.224 1.00 0.00 O HETATM 42 C19 UNL 1 -7.924 -1.250 -0.156 1.00 0.00 C HETATM 43 O15 UNL 1 -8.064 -1.971 1.010 1.00 0.00 O HETATM 44 C20 UNL 1 -9.099 -0.335 -0.395 1.00 0.00 C HETATM 45 C21 UNL 1 -9.207 0.753 0.620 1.00 0.00 C HETATM 46 H1 UNL 1 -9.962 2.578 2.521 1.00 0.00 H HETATM 47 H2 UNL 1 -9.187 4.161 2.339 1.00 0.00 H HETATM 48 H3 UNL 1 -5.782 1.163 0.988 1.00 0.00 H HETATM 49 H4 UNL 1 -5.814 -1.695 -1.525 1.00 0.00 H HETATM 50 H5 UNL 1 -3.173 -1.283 -1.797 1.00 0.00 H HETATM 51 H6 UNL 1 -2.254 0.407 0.615 1.00 0.00 H HETATM 52 H7 UNL 1 -1.269 -0.098 -0.837 1.00 0.00 H HETATM 53 H8 UNL 1 0.305 -3.532 0.876 1.00 0.00 H HETATM 54 H9 UNL 1 1.864 -1.570 3.723 1.00 0.00 H HETATM 55 H10 UNL 1 2.524 -0.996 -0.908 1.00 0.00 H HETATM 56 H11 UNL 1 3.053 -2.412 0.021 1.00 0.00 H HETATM 57 H12 UNL 1 4.413 -2.097 -1.974 1.00 0.00 H HETATM 58 H13 UNL 1 6.798 -0.159 -2.632 1.00 0.00 H HETATM 59 H14 UNL 1 5.250 1.617 0.198 1.00 0.00 H HETATM 60 H15 UNL 1 9.472 4.702 1.211 1.00 0.00 H HETATM 61 H16 UNL 1 10.270 3.655 2.404 1.00 0.00 H HETATM 62 H17 UNL 1 11.515 0.650 -1.337 1.00 0.00 H HETATM 63 H18 UNL 1 7.830 -1.529 -0.379 1.00 0.00 H HETATM 64 H19 UNL 1 6.610 -2.256 -2.887 1.00 0.00 H HETATM 65 H20 UNL 1 5.758 -1.751 0.758 1.00 0.00 H HETATM 66 H21 UNL 1 5.158 -3.829 -1.135 1.00 0.00 H HETATM 67 H22 UNL 1 -3.823 1.526 -0.785 1.00 0.00 H HETATM 68 H23 UNL 1 -2.668 1.992 -2.494 1.00 0.00 H HETATM 69 H24 UNL 1 -5.978 1.154 -1.787 1.00 0.00 H HETATM 70 H25 UNL 1 -5.250 0.640 -3.816 1.00 0.00 H HETATM 71 H26 UNL 1 -7.903 -1.973 -1.004 1.00 0.00 H HETATM 72 H27 UNL 1 -7.186 -2.302 1.307 1.00 0.00 H HETATM 73 H28 UNL 1 -10.019 -0.980 -0.280 1.00 0.00 H HETATM 74 H29 UNL 1 -9.123 0.014 -1.444 1.00 0.00 H HETATM 75 H30 UNL 1 -9.841 1.568 0.162 1.00 0.00 H HETATM 76 H31 UNL 1 -9.777 0.435 1.525 1.00 0.00 H CONECT 1 2 46 47 CONECT 2 3 3 4 CONECT 4 5 5 45 CONECT 5 6 48 CONECT 6 7 42 CONECT 7 8 40 49 CONECT 8 9 CONECT 9 10 38 50 CONECT 10 11 51 52 CONECT 11 12 CONECT 12 13 13 14 15 CONECT 14 53 CONECT 15 16 CONECT 16 17 17 18 19 CONECT 18 54 CONECT 19 20 CONECT 20 21 55 56 CONECT 21 22 36 57 CONECT 22 23 CONECT 23 24 34 58 CONECT 24 25 33 CONECT 25 26 26 59 CONECT 26 27 CONECT 27 28 28 33 CONECT 28 29 30 CONECT 29 60 61 CONECT 30 31 31 CONECT 31 32 62 CONECT 32 33 33 CONECT 34 35 36 63 CONECT 35 64 CONECT 36 37 65 CONECT 37 66 CONECT 38 39 40 67 CONECT 39 68 CONECT 40 41 69 CONECT 41 70 CONECT 42 43 44 71 CONECT 43 72 CONECT 44 45 73 74 CONECT 45 75 76 END