REMARK VINA RESULT: -3.6 3.125 4.153 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 9.879 -17.145 4.179 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 8.186 -16.200 5.543 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 9.871 -17.360 6.488 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 8.029 -17.010 7.830 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 8.516 -16.761 4.246 0.00 0.00 0.314 C ATOM 6 C UNL d 1 8.612 -16.844 6.685 0.00 0.00 0.725 C ATOM 7 C UNL d 1 10.163 -18.025 5.249 0.00 0.00 0.313 C ATOM 8 C UNL d 1 10.933 -17.251 7.467 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 7.895 -14.758 5.568 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 9.014 -13.850 5.998 0.00 0.00 0.021 A ATOM 11 S UNL d 1 8.892 -12.937 7.457 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 10.441 -12.304 7.167 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 11.154 -11.223 8.293 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 11.048 -12.677 6.069 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 10.226 -13.563 5.395 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 6.728 -16.702 7.947 0.00 0.00 0.001 N ATOM 17 O UNL d 1 6.364 -15.562 8.283 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 5.908 -17.583 7.637 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3