REMARK VINA RESULT: -3.5 1.667 2.020 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 -5.466 13.659 -14.200 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -3.927 13.614 -16.001 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -3.653 15.099 -14.329 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -2.466 15.542 -16.256 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -5.293 13.376 -15.577 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -3.293 14.777 -15.616 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -5.031 14.979 -13.942 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -2.704 15.542 -13.328 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -3.140 12.420 -16.348 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -2.006 12.067 -15.426 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -1.522 10.423 -15.220 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -0.307 10.936 -14.150 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 0.763 9.791 -13.450 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -0.231 12.217 -13.895 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -1.210 12.867 -14.625 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -2.289 15.350 -17.572 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -1.194 14.979 -18.026 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -3.284 15.490 -18.303 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3