REMARK VINA RESULT: -7.4 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 -6.308 -2.687 -0.428 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -5.142 -3.576 -0.810 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -5.355 -4.891 -1.251 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -4.275 -5.728 -1.553 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -2.978 -5.250 -1.406 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -2.745 -3.949 -0.982 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -3.823 -3.111 -0.687 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -1.894 -6.034 -1.668 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -2.056 -6.919 -1.299 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -6.174 -2.087 0.955 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -6.412 -0.720 1.166 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -6.199 -0.143 2.422 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -5.759 -0.937 3.475 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -5.558 -2.300 3.299 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -5.759 -2.874 2.041 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -5.512 -0.408 4.708 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -4.886 0.327 4.604 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4