REMARK VINA RESULT: -7.6 1.027 3.057 REMARK 9 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_7 REMARK 2 A between atoms: O_1 and C_11 REMARK 3 A between atoms: O_2 and C_13 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_6 REMARK 6 A between atoms: C_5 and C_7 REMARK 7 A between atoms: C_8 and C_11 REMARK 8 A between atoms: C_9 and C_16 REMARK 9 A between atoms: C_13 and C_14 ROOT ATOM 1 C UNL d 1 7.110 3.475 3.673 0.00 0.00 0.055 A ATOM 2 C UNL d 1 6.432 3.801 2.489 0.00 0.00 0.055 A ATOM 3 C UNL d 1 8.215 2.611 3.635 0.00 0.00 0.018 A ATOM 4 C UNL d 1 6.831 3.198 1.287 0.00 0.00 0.018 A ATOM 5 C UNL d 1 8.613 2.033 2.429 0.00 0.00 0.001 A ATOM 6 C UNL d 1 7.913 2.314 1.258 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 5.282 4.736 2.433 0.00 0.00 0.294 C ATOM 8 O UNL d 1 5.361 5.852 1.943 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 4.205 4.194 3.049 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 2.932 4.766 2.708 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 2.292 5.251 3.979 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 0.964 5.697 3.970 0.00 0.00 0.009 A ATOM 13 C UNL d 1 0.438 6.358 5.078 0.00 0.00 0.001 A ATOM 14 C UNL d 1 1.232 6.567 6.205 0.00 0.00 0.000 A ATOM 15 C UNL d 1 2.533 6.070 6.247 0.00 0.00 0.001 A ATOM 16 C UNL d 1 3.060 5.406 5.140 0.00 0.00 0.009 A ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 2 7 BRANCH 1 17 ATOM 17 C UNL d 1 6.658 3.916 5.015 0.00 0.00 0.294 C ATOM 18 O UNL d 1 6.680 5.072 5.393 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 6.387 2.811 5.742 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 5.027 2.359 5.792 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 4.981 0.963 5.178 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 4.243 0.979 3.837 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 2.782 1.364 3.981 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9