REMARK VINA RESULT: -5.1 3.668 5.907 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 -7.930 -0.447 0.755 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -6.351 -2.018 -0.055 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -7.669 -0.902 -1.504 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -6.624 -2.775 -2.350 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -7.223 -1.641 1.041 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -6.836 -1.985 -1.346 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -8.619 -0.600 -0.470 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -7.625 -0.032 -2.661 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -4.907 -1.900 0.198 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -4.199 -3.143 0.661 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -2.553 -3.430 0.226 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -2.593 -4.880 1.108 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -1.186 -5.856 1.224 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -3.724 -5.205 1.682 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -4.648 -4.208 1.421 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -5.995 -3.941 -2.137 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -6.528 -4.849 -1.477 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -4.890 -4.097 -2.686 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3