REMARK VINA RESULT: -4.1 3.584 4.417 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 15.807 42.254 24.521 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 13.991 43.277 25.648 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 16.092 43.572 26.408 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 14.413 44.115 27.892 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 14.431 42.154 24.842 0.00 0.00 0.314 C ATOM 6 C UNL d 1 14.758 43.679 26.721 0.00 0.00 0.725 C ATOM 7 C UNL d 1 16.550 42.400 25.715 0.00 0.00 0.313 C ATOM 8 C UNL d 1 17.066 44.595 26.727 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 13.078 44.225 24.991 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 13.673 45.526 24.526 0.00 0.00 0.021 A ATOM 11 S UNL d 1 14.813 45.556 23.231 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 14.902 47.246 23.375 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 15.897 48.149 22.308 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 14.188 47.808 24.316 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 13.484 46.819 24.981 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 13.130 44.012 28.271 0.00 0.00 0.001 N ATOM 17 O UNL d 1 12.667 42.937 28.689 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 12.449 45.051 28.252 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3