COMPND HMDB0015315 HETATM 1 O1 UNL 1 -4.402 2.946 1.814 1.00 0.00 O HETATM 2 C1 UNL 1 -4.803 1.977 1.124 1.00 0.00 C HETATM 3 N1 UNL 1 -6.116 1.743 0.908 1.00 0.00 N HETATM 4 C2 UNL 1 -6.233 0.641 0.136 1.00 0.00 C HETATM 5 C3 UNL 1 -7.315 -0.057 -0.389 1.00 0.00 C HETATM 6 C4 UNL 1 -7.089 -1.169 -1.149 1.00 0.00 C HETATM 7 C5 UNL 1 -5.808 -1.593 -1.391 1.00 0.00 C HETATM 8 C6 UNL 1 -4.718 -0.900 -0.869 1.00 0.00 C HETATM 9 C7 UNL 1 -4.945 0.225 -0.100 1.00 0.00 C HETATM 10 N2 UNL 1 -4.066 1.044 0.506 1.00 0.00 N HETATM 11 C8 UNL 1 -2.600 0.967 0.497 1.00 0.00 C HETATM 12 C9 UNL 1 -2.097 0.109 1.600 1.00 0.00 C HETATM 13 C10 UNL 1 -0.646 -0.048 1.784 1.00 0.00 C HETATM 14 N3 UNL 1 0.092 -0.577 0.715 1.00 0.00 N HETATM 15 C11 UNL 1 0.297 0.210 -0.412 1.00 0.00 C HETATM 16 C12 UNL 1 1.732 0.413 -0.888 1.00 0.00 C HETATM 17 C13 UNL 1 2.508 -0.877 -0.938 1.00 0.00 C HETATM 18 N4 UNL 1 3.804 -0.826 -0.315 1.00 0.00 N HETATM 19 C14 UNL 1 4.319 -1.717 0.541 1.00 0.00 C HETATM 20 O2 UNL 1 3.875 -2.789 1.028 1.00 0.00 O HETATM 21 N5 UNL 1 5.574 -1.319 0.917 1.00 0.00 N HETATM 22 C15 UNL 1 5.806 -0.174 0.272 1.00 0.00 C HETATM 23 C16 UNL 1 6.911 0.694 0.255 1.00 0.00 C HETATM 24 C17 UNL 1 6.933 1.843 -0.504 1.00 0.00 C HETATM 25 CL1 UNL 1 8.312 2.926 -0.526 1.00 0.00 CL HETATM 26 C18 UNL 1 5.819 2.114 -1.256 1.00 0.00 C HETATM 27 C19 UNL 1 4.696 1.298 -1.282 1.00 0.00 C HETATM 28 C20 UNL 1 4.734 0.162 -0.500 1.00 0.00 C HETATM 29 C21 UNL 1 1.678 -1.980 -0.309 1.00 0.00 C HETATM 30 C22 UNL 1 1.167 -1.448 1.033 1.00 0.00 C HETATM 31 H1 UNL 1 -6.902 2.298 1.259 1.00 0.00 H HETATM 32 H2 UNL 1 -8.318 0.298 -0.185 1.00 0.00 H HETATM 33 H3 UNL 1 -7.913 -1.722 -1.563 1.00 0.00 H HETATM 34 H4 UNL 1 -5.588 -2.455 -1.976 1.00 0.00 H HETATM 35 H5 UNL 1 -3.714 -1.213 -1.046 1.00 0.00 H HETATM 36 H6 UNL 1 -2.230 1.996 0.617 1.00 0.00 H HETATM 37 H7 UNL 1 -2.347 0.623 -0.531 1.00 0.00 H HETATM 38 H8 UNL 1 -2.640 -0.879 1.520 1.00 0.00 H HETATM 39 H9 UNL 1 -2.559 0.542 2.550 1.00 0.00 H HETATM 40 H10 UNL 1 -0.206 0.942 2.120 1.00 0.00 H HETATM 41 H11 UNL 1 -0.506 -0.770 2.663 1.00 0.00 H HETATM 42 H12 UNL 1 -0.135 1.226 -0.232 1.00 0.00 H HETATM 43 H13 UNL 1 -0.319 -0.207 -1.261 1.00 0.00 H HETATM 44 H14 UNL 1 1.617 0.774 -1.922 1.00 0.00 H HETATM 45 H15 UNL 1 2.220 1.086 -0.177 1.00 0.00 H HETATM 46 H16 UNL 1 2.676 -1.186 -1.999 1.00 0.00 H HETATM 47 H17 UNL 1 6.240 -1.777 1.563 1.00 0.00 H HETATM 48 H18 UNL 1 7.773 0.429 0.875 1.00 0.00 H HETATM 49 H19 UNL 1 5.801 3.004 -1.860 1.00 0.00 H HETATM 50 H20 UNL 1 3.837 1.493 -1.860 1.00 0.00 H HETATM 51 H21 UNL 1 0.751 -2.149 -0.938 1.00 0.00 H HETATM 52 H22 UNL 1 2.119 -2.933 -0.175 1.00 0.00 H HETATM 53 H23 UNL 1 0.901 -2.332 1.628 1.00 0.00 H HETATM 54 H24 UNL 1 2.022 -0.927 1.519 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 10 CONECT 3 4 31 CONECT 4 5 5 9 CONECT 5 6 32 CONECT 6 7 7 33 CONECT 7 8 34 CONECT 8 9 9 35 CONECT 9 10 CONECT 10 11 CONECT 11 12 36 37 CONECT 12 13 38 39 CONECT 13 14 40 41 CONECT 14 15 30 CONECT 15 16 42 43 CONECT 16 17 44 45 CONECT 17 18 29 46 CONECT 18 19 28 CONECT 19 20 20 21 CONECT 21 22 47 CONECT 22 23 23 28 CONECT 23 24 48 CONECT 24 25 26 26 CONECT 26 27 49 CONECT 27 28 28 50 CONECT 29 30 51 52 CONECT 30 53 54 END