REMARK VINA RESULT: -5.6 3.749 5.051 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 -3.932 -1.440 0.473 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -5.406 -3.289 0.319 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -3.543 -3.231 -0.948 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -5.145 -4.753 -1.606 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -5.277 -1.869 0.588 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -4.770 -3.828 -0.779 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -3.438 -1.806 -0.800 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -2.336 -3.972 -1.252 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -5.743 -4.138 1.472 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -4.947 -3.918 2.729 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -3.253 -4.246 2.764 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -3.210 -3.742 4.385 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -1.723 -3.726 5.241 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -4.340 -3.375 4.932 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -5.340 -3.479 3.981 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -6.419 -5.175 -1.573 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -7.331 -4.509 -2.091 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -6.633 -6.290 -1.067 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3