REMARK VINA RESULT: -5.2 3.793 5.394 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 -8.502 -3.278 0.332 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -6.177 -3.613 0.021 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -6.915 -1.729 1.012 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -4.738 -1.666 0.257 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -7.511 -3.883 -0.480 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -5.843 -2.329 0.395 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -8.225 -1.896 0.446 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -6.796 -0.945 2.224 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -5.454 -4.762 0.586 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -5.634 -5.015 2.058 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -4.408 -4.557 3.184 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -5.379 -5.141 4.448 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -4.845 -5.012 6.074 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -6.528 -5.679 4.126 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -6.673 -5.610 2.752 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -3.775 -2.168 -0.533 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -3.834 -2.057 -1.769 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -2.794 -2.682 0.030 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3