REMARK VINA RESULT: -4.4 2.160 2.844 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 8.019 -8.225 -6.471 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 9.162 -6.954 -4.829 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 8.355 -5.939 -6.672 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 9.915 -4.735 -5.476 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 9.021 -8.248 -5.470 0.00 0.00 0.314 C ATOM 6 C UNL d 1 9.217 -5.818 -5.608 0.00 0.00 0.725 C ATOM 7 C UNL d 1 8.304 -7.185 -7.385 0.00 0.00 0.313 C ATOM 8 C UNL d 1 7.476 -4.873 -7.105 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 8.716 -6.875 -3.430 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 7.436 -7.587 -3.086 0.00 0.00 0.021 A ATOM 11 S UNL d 1 5.974 -6.702 -2.850 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 5.159 -8.164 -2.561 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 3.472 -8.161 -2.249 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 5.867 -9.264 -2.591 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 7.177 -8.932 -2.889 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 10.907 -4.707 -4.572 0.00 0.00 0.001 N ATOM 17 O UNL d 1 11.742 -5.625 -4.505 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 10.992 -3.694 -3.857 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3