REMARK VINA RESULT: -4.3 0.138 5.967 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 19.995 4.750 -12.480 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 20.200 4.190 -13.873 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 21.087 3.125 -14.096 0.00 0.00 0.010 A ATOM 4 C UNL d 1 21.314 2.643 -15.390 0.00 0.00 0.037 A ATOM 5 C UNL d 1 20.659 3.234 -16.465 0.00 0.00 0.065 A ATOM 6 C UNL d 1 19.771 4.280 -16.265 0.00 0.00 0.037 A ATOM 7 C UNL d 1 19.537 4.757 -14.973 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 20.865 2.813 -17.744 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 20.583 3.517 -18.351 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 21.171 5.561 -11.983 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 22.022 5.050 -10.989 0.00 0.00 0.010 A ATOM 12 C UNL d 1 23.053 5.832 -10.460 0.00 0.00 0.037 A ATOM 13 C UNL d 1 23.244 7.125 -10.932 0.00 0.00 0.065 A ATOM 14 C UNL d 1 22.441 7.636 -11.944 0.00 0.00 0.037 A ATOM 15 C UNL d 1 21.403 6.859 -12.464 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 24.220 7.930 -10.422 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 24.664 8.376 -11.162 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4