REMARK VINA RESULT: -7.0 1.840 3.080 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 4.273 3.409 3.744 0.00 0.00 0.055 C ATOM 2 C UNL d 1 5.320 2.861 4.497 0.00 0.00 0.055 C ATOM 3 C UNL d 1 3.119 2.641 3.503 0.00 0.00 0.018 C ATOM 4 C UNL d 1 5.283 1.501 4.834 0.00 0.00 0.018 C ATOM 5 C UNL d 1 3.064 1.304 3.897 0.00 0.00 0.001 C ATOM 6 C UNL d 1 4.165 0.721 4.518 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 4.363 4.689 2.996 0.00 0.00 0.294 C ATOM 8 O UNL d 1 5.180 4.875 2.111 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 3.621 5.633 3.625 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 2.270 5.861 3.169 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 1.229 5.875 4.284 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 1.763 6.341 5.637 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 0.683 6.786 6.620 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 6.475 3.652 4.963 0.00 0.00 0.294 C ATOM 15 O UNL d 1 6.449 4.860 5.122 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 7.564 2.847 5.066 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 8.644 3.096 4.147 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 8.874 1.929 3.188 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 8.271 2.158 1.802 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 8.204 3.640 1.455 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10