REMARK VINA RESULT: -7.0 0.000 0.000 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 -16.060 22.410 -23.771 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -16.723 21.948 -25.999 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -15.378 20.507 -24.908 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -15.464 20.247 -27.197 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -16.435 22.975 -25.015 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -15.855 20.886 -26.140 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -14.978 21.523 -23.975 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -15.274 19.124 -24.490 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -18.132 21.814 -26.400 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -18.889 20.648 -25.828 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -19.819 20.827 -24.385 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -20.278 19.197 -24.502 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -21.348 18.519 -23.344 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -19.788 18.503 -25.497 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -18.986 19.336 -26.257 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -15.754 20.752 -28.406 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -15.174 21.763 -28.836 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -16.573 20.125 -29.099 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3