REMARK VINA RESULT: -5.3 1.732 2.087 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 -6.804 -6.160 1.681 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -7.649 -4.045 2.334 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -5.432 -4.328 2.051 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -6.051 -2.444 3.227 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -7.836 -5.483 2.377 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -6.401 -3.518 2.593 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -5.553 -5.752 2.199 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -4.292 -3.817 1.318 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -8.620 -3.291 1.527 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -8.118 -2.711 0.233 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -8.401 -1.054 -0.156 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -7.556 -1.272 -1.612 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -7.327 0.051 -2.681 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -7.098 -2.470 -1.870 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -7.425 -3.299 -0.811 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -6.975 -1.778 3.937 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -7.297 -2.147 5.079 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -7.438 -0.742 3.432 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3