REMARK VINA RESULT: -5.1 2.985 3.966 REMARK 3 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_6 and C_13 REMARK 2 A between atoms: N_8 and N_10 REMARK 3 A between atoms: C_13 and C_15 ROOT ATOM 1 O UNL d 1 14.845 3.266 -10.279 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 12.583 2.620 -9.998 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 13.266 4.647 -9.291 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 11.242 3.931 -8.449 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 13.961 2.176 -10.085 0.00 0.00 0.314 C ATOM 6 C UNL d 1 12.271 3.703 -9.204 0.00 0.00 0.725 C ATOM 7 C UNL d 1 14.637 4.218 -9.254 0.00 0.00 0.313 C ATOM 8 C UNL d 1 13.003 6.064 -9.436 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 11.713 2.252 -11.126 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 11.094 3.383 -11.899 0.00 0.00 0.021 A ATOM 11 S UNL d 1 12.081 4.483 -12.791 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 10.681 5.301 -13.293 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 10.805 6.646 -14.353 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 9.533 4.864 -12.844 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 9.770 3.763 -12.039 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 10.388 2.928 -8.195 0.00 0.00 0.001 N ATOM 17 O UNL d 1 10.696 2.000 -7.428 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 9.257 3.005 -8.703 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3