REMARK VINA RESULT: -4.2 0.158 5.942 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 19.967 4.632 -12.478 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 20.238 4.177 -13.897 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 19.611 4.803 -14.985 0.00 0.00 0.010 A ATOM 4 C UNL d 1 19.823 4.348 -16.292 0.00 0.00 0.037 A ATOM 5 C UNL d 1 20.659 3.259 -16.509 0.00 0.00 0.065 A ATOM 6 C UNL d 1 21.298 2.632 -15.449 0.00 0.00 0.037 A ATOM 7 C UNL d 1 21.093 3.091 -14.145 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 20.879 2.767 -17.761 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 20.458 1.894 -17.829 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 21.049 5.530 -11.920 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 21.200 6.844 -12.392 0.00 0.00 0.010 A ATOM 12 C UNL d 1 22.256 7.646 -11.949 0.00 0.00 0.037 A ATOM 13 C UNL d 1 23.158 7.139 -11.021 0.00 0.00 0.065 A ATOM 14 C UNL d 1 23.003 5.857 -10.509 0.00 0.00 0.037 A ATOM 15 C UNL d 1 21.956 5.052 -10.961 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 24.218 7.879 -10.584 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 25.034 7.453 -10.893 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4