REMARK VINA RESULT: -4.7 3.864 5.519 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 -3.087 -1.449 9.025 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -2.926 0.881 8.623 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -4.500 0.092 10.029 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -4.822 2.251 9.288 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -2.725 -0.452 8.086 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -4.102 1.174 9.280 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -4.416 -1.221 9.451 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -4.989 0.205 11.388 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -1.706 1.655 8.902 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -0.679 1.003 9.787 0.00 0.00 0.021 A ATOM 11 S UNL d 1 0.871 0.573 9.162 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 1.306 -0.007 10.698 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 2.879 -0.640 10.965 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 0.403 0.055 11.643 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -0.740 0.632 11.118 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -4.554 3.217 8.395 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -5.021 3.177 7.244 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -3.880 4.183 8.792 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3