REMARK VINA RESULT: -6.9 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 -9.049 -3.515 1.115 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -8.087 -4.008 2.177 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -7.476 -3.110 3.065 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -6.548 -3.560 4.011 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -6.225 -4.911 4.063 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -6.826 -5.818 3.201 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -7.758 -5.370 2.262 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -5.312 -5.393 4.952 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -5.779 -5.927 5.617 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -8.382 -2.678 0.046 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -7.413 -3.239 -0.800 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -6.726 -2.447 -1.726 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -7.017 -1.091 -1.816 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -8.003 -0.523 -1.018 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -8.679 -1.312 -0.085 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -6.351 -0.278 -2.686 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -7.003 0.276 -3.145 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4