REMARK VINA RESULT: -5.2 3.329 5.146 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 9.335 6.218 -12.938 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 11.206 4.771 -13.091 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 11.303 6.592 -11.768 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 13.332 5.622 -12.274 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 10.043 5.313 -13.768 0.00 0.00 0.314 C ATOM 6 C UNL d 1 12.043 5.621 -12.400 0.00 0.00 0.725 C ATOM 7 C UNL d 1 10.224 7.218 -12.482 0.00 0.00 0.313 C ATOM 8 C UNL d 1 11.544 7.009 -10.402 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 11.141 3.344 -12.739 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 11.006 3.014 -11.277 0.00 0.00 0.021 A ATOM 11 S UNL d 1 12.244 2.134 -10.458 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 11.344 2.242 -9.023 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 11.961 1.576 -7.567 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 10.185 2.847 -9.083 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 9.989 3.287 -10.380 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 14.062 4.816 -13.060 0.00 0.00 0.001 N ATOM 17 O UNL d 1 14.509 3.736 -12.637 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 14.209 5.163 -14.244 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3