REMARK VINA RESULT: -5.3 0.228 1.267 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 7.707 -8.350 -3.416 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 8.214 -7.326 -4.410 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 7.500 -7.048 -5.586 0.00 0.00 0.010 A ATOM 4 C UNL d 1 7.997 -6.140 -6.527 0.00 0.00 0.037 A ATOM 5 C UNL d 1 9.216 -5.513 -6.295 0.00 0.00 0.065 A ATOM 6 C UNL d 1 9.934 -5.764 -5.135 0.00 0.00 0.037 A ATOM 7 C UNL d 1 9.435 -6.666 -4.191 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 9.750 -4.637 -7.193 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 9.236 -3.813 -7.163 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 6.595 -7.827 -2.534 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 5.402 -8.553 -2.381 0.00 0.00 0.010 A ATOM 12 C UNL d 1 4.336 -8.030 -1.644 0.00 0.00 0.037 A ATOM 13 C UNL d 1 4.465 -6.783 -1.045 0.00 0.00 0.065 A ATOM 14 C UNL d 1 5.650 -6.065 -1.147 0.00 0.00 0.037 A ATOM 15 C UNL d 1 6.711 -6.583 -1.895 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 3.438 -6.224 -0.340 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 2.614 -6.667 -0.600 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4