REMARK VINA RESULT: -5.2 3.160 3.872 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 -7.548 -3.827 -0.712 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -6.669 -3.685 1.484 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -5.821 -5.183 0.032 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -5.297 -5.541 2.248 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -7.836 -3.514 0.640 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -5.904 -4.824 1.356 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -7.006 -5.131 -0.778 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -4.586 -5.599 -0.601 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -6.079 -2.452 2.029 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -6.873 -1.732 3.084 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -7.372 -0.097 2.845 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -8.136 -0.130 4.362 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -8.994 1.246 4.922 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -8.039 -1.231 5.061 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -7.309 -2.151 4.328 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -5.557 -5.320 3.546 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -6.579 -5.778 4.084 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -4.699 -4.700 4.197 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3