REMARK VINA RESULT: -4.8 3.897 5.727 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 -10.287 -2.893 4.327 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -8.019 -2.596 4.949 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -9.263 -4.176 5.965 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -7.306 -3.606 7.043 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -9.222 -1.965 4.439 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -8.108 -3.435 6.040 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -10.483 -3.523 5.577 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -9.313 -5.596 6.244 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -6.907 -2.731 3.997 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -6.726 -1.613 3.006 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -7.065 -1.860 1.332 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -6.647 -0.243 1.029 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -6.761 0.393 -0.561 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -6.245 0.476 2.047 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -6.286 -0.313 3.183 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -6.301 -2.736 7.227 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -5.116 -3.112 7.224 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -6.604 -1.535 7.329 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3