REMARK VINA RESULT: 1.8 1.950 3.334 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 22.456 7.856 -10.541 0.00 0.00 0.055 A ATOM 2 C UNL d 1 21.366 7.258 -11.193 0.00 0.00 0.055 A ATOM 3 C UNL d 1 22.430 9.226 -10.242 0.00 0.00 0.018 A ATOM 4 C UNL d 1 20.291 8.061 -11.599 0.00 0.00 0.018 A ATOM 5 C UNL d 1 21.345 10.010 -10.636 0.00 0.00 0.001 A ATOM 6 C UNL d 1 20.282 9.433 -11.326 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 21.294 5.811 -11.510 0.00 0.00 0.294 C ATOM 8 O UNL d 1 21.589 4.942 -10.704 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 20.932 5.631 -12.802 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 19.966 4.595 -13.045 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 20.194 4.073 -14.437 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 21.005 2.950 -14.641 0.00 0.00 0.009 A ATOM 13 C UNL d 1 21.408 2.600 -15.928 0.00 0.00 0.001 A ATOM 14 C UNL d 1 20.993 3.362 -17.018 0.00 0.00 0.000 A ATOM 15 C UNL d 1 20.134 4.443 -16.831 0.00 0.00 0.001 A ATOM 16 C UNL d 1 19.728 4.794 -15.544 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 23.712 7.132 -10.232 0.00 0.00 0.294 C ATOM 18 O UNL d 1 23.755 6.052 -9.675 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 24.744 7.950 -10.532 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 24.782 9.239 -9.902 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 26.229 9.719 -9.918 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 26.335 11.155 -9.399 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 25.011 11.687 -8.881 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9