REMARK VINA RESULT: -3.3 1.764 1.994 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 -3.575 -17.254 2.902 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -2.445 -15.879 4.466 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -4.623 -15.513 4.019 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -3.522 -13.787 5.080 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -2.327 -16.693 3.271 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -3.482 -14.977 4.569 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -4.527 -16.217 2.770 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -5.925 -15.419 4.647 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -1.801 -16.411 5.676 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -2.108 -17.840 6.032 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -3.696 -18.300 6.528 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -3.162 -19.904 6.680 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -4.262 -21.137 7.146 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -1.901 -20.146 6.428 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -1.294 -18.958 6.059 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -2.370 -13.185 5.414 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -1.579 -12.782 4.545 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -2.166 -12.986 6.624 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3