REMARK VINA RESULT: -3.0 1.226 1.928 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 -4.079 -16.726 6.543 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -3.370 -18.048 6.753 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -1.974 -18.140 6.652 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -1.325 -19.371 6.794 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -2.078 -20.517 7.030 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -3.459 -20.447 7.145 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -4.106 -19.216 7.011 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -1.493 -21.741 7.155 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -2.079 -22.313 7.679 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -4.258 -16.368 5.084 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -3.152 -16.011 4.295 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -3.324 -15.589 2.974 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -4.603 -15.535 2.432 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -5.707 -15.924 3.180 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -5.537 -16.333 4.505 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -4.816 -15.102 1.156 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -5.237 -14.228 1.197 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4