REMARK VINA RESULT: -5.1 3.640 5.078 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 -4.111 -4.164 -1.179 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -5.466 -2.317 -0.576 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -6.424 -4.293 -1.081 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -7.839 -2.472 -1.088 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -4.225 -2.752 -1.187 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -6.645 -2.946 -0.918 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -5.254 -4.724 -1.795 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -7.308 -5.310 -0.551 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -5.342 -1.625 0.717 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -5.817 -2.374 1.932 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -5.125 -3.899 2.350 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -6.142 -3.965 3.708 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -6.045 -5.292 4.792 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -6.981 -2.976 3.881 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -6.797 -2.063 2.858 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -8.008 -1.142 -1.144 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -7.688 -0.495 -2.156 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -8.561 -0.600 -0.172 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3