REMARK VINA RESULT: -5.9 0.000 0.000 REMARK 4 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_14 REMARK 2 A between atoms: O_2 and C_15 REMARK 3 A between atoms: C_3 and C_4 REMARK 4 A between atoms: C_3 and C_5 ROOT ATOM 1 C UNL d 1 30.978 5.431 -41.634 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 31.088 4.143 -42.424 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 30.237 3.891 -43.511 0.00 0.00 0.010 A ATOM 4 C UNL d 1 30.305 2.678 -44.207 0.00 0.00 0.037 A ATOM 5 C UNL d 1 31.222 1.712 -43.808 0.00 0.00 0.065 A ATOM 6 C UNL d 1 32.081 1.945 -42.744 0.00 0.00 0.037 A ATOM 7 C UNL d 1 32.019 3.158 -42.054 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 31.311 0.509 -44.442 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 31.016 -0.186 -43.829 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 30.102 6.468 -42.301 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 30.629 7.715 -42.676 0.00 0.00 0.010 A ATOM 12 C UNL d 1 29.803 8.710 -43.206 0.00 0.00 0.037 A ATOM 13 C UNL d 1 28.447 8.457 -43.375 0.00 0.00 0.065 A ATOM 14 C UNL d 1 27.911 7.217 -43.051 0.00 0.00 0.037 A ATOM 15 C UNL d 1 28.735 6.227 -42.509 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 27.602 9.411 -43.862 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 27.211 9.885 -43.110 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4