REMARK VINA RESULT: -8.2 1.260 1.541 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 -1.063 -4.827 4.839 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 0.107 -5.687 5.270 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 1.381 -5.500 4.713 0.00 0.00 0.010 A ATOM 4 C UNL d 1 2.449 -6.330 5.074 0.00 0.00 0.037 A ATOM 5 C UNL d 1 2.238 -7.355 5.989 0.00 0.00 0.065 A ATOM 6 C UNL d 1 0.989 -7.551 6.561 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -0.075 -6.718 6.206 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 3.242 -8.202 6.355 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 3.844 -8.313 5.600 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -1.873 -4.294 6.001 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -2.897 -5.067 6.572 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -3.709 -4.544 7.582 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -3.492 -3.248 8.034 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -2.458 -2.479 7.513 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -1.654 -2.998 6.494 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -4.280 -2.689 8.997 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -4.602 -3.400 9.576 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4