COMPND HMDB0060991 HETATM 1 C1 UNL 1 4.852 -1.169 0.682 1.00 0.00 C HETATM 2 N1 UNL 1 3.588 -0.626 1.218 1.00 0.00 N HETATM 3 C2 UNL 1 3.930 0.713 1.688 1.00 0.00 C HETATM 4 C3 UNL 1 2.668 -0.615 0.132 1.00 0.00 C HETATM 5 C4 UNL 1 1.257 -0.199 0.483 1.00 0.00 C HETATM 6 C5 UNL 1 0.368 -0.202 -0.725 1.00 0.00 C HETATM 7 N2 UNL 1 -1.008 0.158 -0.467 1.00 0.00 N HETATM 8 C6 UNL 1 -1.835 -0.854 0.102 1.00 0.00 C HETATM 9 C7 UNL 1 -1.326 -2.121 0.382 1.00 0.00 C HETATM 10 C8 UNL 1 -2.082 -3.135 0.940 1.00 0.00 C HETATM 11 C9 UNL 1 -3.396 -2.935 1.250 1.00 0.00 C HETATM 12 O1 UNL 1 -4.108 -3.991 1.810 1.00 0.00 O HETATM 13 C10 UNL 1 -3.926 -1.702 0.986 1.00 0.00 C HETATM 14 C11 UNL 1 -3.167 -0.700 0.431 1.00 0.00 C HETATM 15 S1 UNL 1 -3.999 0.844 0.126 1.00 0.00 S HETATM 16 C12 UNL 1 -2.754 1.926 -0.551 1.00 0.00 C HETATM 17 C13 UNL 1 -3.166 3.204 -0.825 1.00 0.00 C HETATM 18 C14 UNL 1 -2.262 4.113 -1.348 1.00 0.00 C HETATM 19 C15 UNL 1 -0.979 3.664 -1.563 1.00 0.00 C HETATM 20 CL1 UNL 1 0.189 4.811 -2.227 1.00 0.00 CL HETATM 21 C16 UNL 1 -0.568 2.366 -1.283 1.00 0.00 C HETATM 22 C17 UNL 1 -1.475 1.469 -0.763 1.00 0.00 C HETATM 23 H1 UNL 1 5.686 -0.446 0.775 1.00 0.00 H HETATM 24 H2 UNL 1 4.769 -1.408 -0.397 1.00 0.00 H HETATM 25 H3 UNL 1 5.136 -2.096 1.222 1.00 0.00 H HETATM 26 H4 UNL 1 3.155 1.459 1.521 1.00 0.00 H HETATM 27 H5 UNL 1 4.235 0.647 2.760 1.00 0.00 H HETATM 28 H6 UNL 1 4.856 1.098 1.161 1.00 0.00 H HETATM 29 H7 UNL 1 3.027 0.012 -0.732 1.00 0.00 H HETATM 30 H8 UNL 1 2.593 -1.676 -0.246 1.00 0.00 H HETATM 31 H9 UNL 1 1.356 0.855 0.902 1.00 0.00 H HETATM 32 H10 UNL 1 0.851 -0.771 1.327 1.00 0.00 H HETATM 33 H11 UNL 1 0.863 0.393 -1.516 1.00 0.00 H HETATM 34 H12 UNL 1 0.447 -1.247 -1.173 1.00 0.00 H HETATM 35 H13 UNL 1 -0.302 -2.340 0.153 1.00 0.00 H HETATM 36 H14 UNL 1 -1.602 -4.094 1.125 1.00 0.00 H HETATM 37 H15 UNL 1 -4.609 -4.666 1.255 1.00 0.00 H HETATM 38 H16 UNL 1 -4.980 -1.541 1.234 1.00 0.00 H HETATM 39 H17 UNL 1 -4.196 3.535 -0.642 1.00 0.00 H HETATM 40 H18 UNL 1 -2.573 5.127 -1.570 1.00 0.00 H HETATM 41 H19 UNL 1 0.488 2.143 -1.491 1.00 0.00 H CONECT 1 2 23 24 25 CONECT 2 3 4 CONECT 3 26 27 28 CONECT 4 5 29 30 CONECT 5 6 31 32 CONECT 6 7 33 34 CONECT 7 8 22 CONECT 8 9 9 14 CONECT 9 10 35 CONECT 10 11 11 36 CONECT 11 12 13 CONECT 12 37 CONECT 13 14 14 38 CONECT 14 15 CONECT 15 16 CONECT 16 17 17 22 CONECT 17 18 39 CONECT 18 19 19 40 CONECT 19 20 21 CONECT 21 22 22 41 END