REMARK VINA RESULT: -5.1 1.600 3.585 REMARK 10 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_9 REMARK 2 A between atoms: O_1 and C_15 REMARK 3 A between atoms: O_2 and C_10 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_7 REMARK 6 A between atoms: C_5 and C_9 REMARK 7 A between atoms: C_6 and C_8 REMARK 8 A between atoms: C_6 and C_10 REMARK 9 A between atoms: C_11 and C_15 REMARK 10 A between atoms: C_12 and C_16 ROOT ATOM 1 C UNL d 1 -4.774 -3.204 -1.110 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -5.516 -2.968 0.055 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -4.289 -4.500 -1.371 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -5.600 -3.974 1.029 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -4.432 -5.513 -0.423 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -5.043 -5.236 0.797 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -4.279 -2.136 -2.015 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -4.400 -2.196 -3.227 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -3.477 -1.292 -1.322 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -2.275 -1.823 -0.725 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -2.046 -1.380 0.718 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -2.233 -2.487 1.752 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -1.479 -2.259 3.060 0.00 0.00 0.005 C ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 2 14 ATOM 14 C UNL d 1 -6.225 -1.701 0.315 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -7.233 -1.356 -0.277 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -5.520 -0.961 1.210 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -6.121 -0.762 2.502 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -5.231 -1.259 3.642 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -5.749 -2.538 4.298 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -4.614 -3.490 4.651 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10