REMARK VINA RESULT: -6.9 2.085 6.104 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 -5.554 -1.097 2.417 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -5.982 -1.775 3.703 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -7.340 -1.985 3.988 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -7.735 -2.564 5.199 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -6.768 -2.928 6.131 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -5.420 -2.740 5.864 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -5.024 -2.168 4.652 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -7.106 -3.476 7.332 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -6.554 -4.262 7.480 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -5.009 -2.060 1.386 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -3.667 -1.986 0.979 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -3.183 -2.811 -0.041 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -4.037 -3.723 -0.648 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -5.358 -3.843 -0.233 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -5.845 -3.010 0.777 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -3.612 -4.526 -1.666 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -3.935 -5.427 -1.498 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4