REMARK VINA RESULT: -4.8 2.509 3.110 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 -1.446 -1.083 5.862 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -2.912 -2.176 4.354 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -2.112 -3.287 6.144 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -3.026 -4.602 4.485 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -1.892 -1.158 4.519 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -2.723 -3.419 4.920 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -1.018 -2.364 6.278 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -2.527 -4.022 7.321 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -4.271 -1.689 4.069 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -5.308 -1.918 5.134 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -6.471 -0.698 5.504 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -7.155 -1.730 6.666 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -8.534 -1.230 7.556 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -6.591 -2.898 6.840 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -5.527 -3.005 5.962 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -3.417 -4.744 3.210 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -4.621 -4.774 2.905 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -2.525 -4.774 2.345 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3