REMARK 4 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_8 REMARK 2 A between atoms: O_1 and C_13 REMARK 3 A between atoms: O_3 and C_15 REMARK 4 A between atoms: C_13 and C_14 ROOT HETATM 1 O UNL 1 0.096 0.776 -0.549 1.00 0.00 -0.312 OA ENDROOT BRANCH 1 2 HETATM 2 C UNL 1 -1.231 0.255 -0.582 1.00 0.00 0.133 C HETATM 3 C UNL 1 -2.186 1.339 -0.081 1.00 0.00 0.041 C HETATM 4 C UNL 1 -3.646 0.856 0.052 1.00 0.00 -0.045 C HETATM 5 C UNL 1 -3.695 -0.442 0.893 1.00 0.00 0.013 C HETATM 6 C UNL 1 -4.271 0.627 -1.337 1.00 0.00 0.015 C HETATM 7 C UNL 1 -4.469 1.944 0.767 1.00 0.00 0.015 C HETATM 8 C UNL 1 -2.736 -1.536 0.394 1.00 0.00 -0.015 C HETATM 9 C UNL 1 -1.305 -0.999 0.286 1.00 0.00 0.037 C HETATM 10 C UNL 1 -2.783 -2.752 1.319 1.00 0.00 0.010 C ENDBRANCH 1 2 BRANCH 1 11 HETATM 11 C UNL 1 1.074 -0.061 -0.987 1.00 0.00 0.296 C HETATM 12 O UNL 1 0.950 -0.934 -1.832 1.00 0.00 -0.259 OA BRANCH 11 13 HETATM 13 C UNL 1 2.354 0.220 -0.289 1.00 0.00 0.072 A HETATM 14 C UNL 1 3.261 -0.799 -0.077 1.00 0.00 0.082 A HETATM 15 C UNL 1 4.457 -0.514 0.581 1.00 0.00 0.037 A HETATM 16 C UNL 1 4.723 0.785 1.014 1.00 0.00 0.003 A HETATM 17 C UNL 1 3.792 1.799 0.788 1.00 0.00 0.001 A HETATM 18 C UNL 1 2.596 1.514 0.130 1.00 0.00 0.020 A BRANCH 14 19 HETATM 19 O UNL 1 3.019 -2.075 -0.491 1.00 0.00 -0.360 OA HETATM 20 H UNL 1 3.774 -2.637 -0.247 1.00 0.00 0.217 HD ENDBRANCH 14 19 ENDBRANCH 11 13 ENDBRANCH 1 11 TORSDOF 4