REMARK VINA RESULT: -4.3 3.669 4.966 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 -5.402 -4.567 -0.321 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -5.859 -2.387 0.487 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -7.048 -3.215 -1.238 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -7.183 -0.932 -0.943 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -4.855 -3.418 0.302 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -6.704 -2.072 -0.555 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -6.028 -4.183 -1.530 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -8.401 -3.504 -1.668 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -6.262 -2.120 1.877 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -5.178 -2.178 2.918 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -3.563 -1.707 2.532 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -3.105 -2.042 4.132 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -1.487 -1.771 4.638 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -4.026 -2.504 4.939 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -5.217 -2.586 4.240 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -6.678 0.196 -0.419 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -6.848 0.481 0.779 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -5.977 0.901 -1.164 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3