REMARK VINA RESULT: -5.4 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 -4.555 -0.846 3.397 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -5.254 -1.225 2.108 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -4.574 -1.922 1.098 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -5.206 -2.226 -0.113 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -6.522 -1.823 -0.317 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -7.217 -1.143 0.672 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -6.588 -0.846 1.885 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -7.172 -2.078 -1.487 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -7.226 -3.041 -1.608 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -3.713 -1.965 3.972 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -2.312 -1.868 3.990 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -1.528 -2.936 4.432 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -2.143 -4.103 4.871 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -3.528 -4.206 4.901 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -4.312 -3.142 4.447 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -1.413 -5.179 5.284 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -0.642 -5.267 4.700 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4