REMARK VINA RESULT: -3.6 1.627 3.404 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 8.684 -5.441 -6.218 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 7.781 -7.351 -5.146 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 9.529 -6.269 -4.224 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 9.138 -8.393 -3.417 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 8.018 -6.677 -6.408 0.00 0.00 0.314 C ATOM 6 C UNL d 1 8.802 -7.436 -4.224 0.00 0.00 0.725 C ATOM 7 C UNL d 1 9.870 -5.664 -5.482 0.00 0.00 0.313 C ATOM 8 C UNL d 1 9.959 -5.603 -3.012 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 6.379 -7.433 -4.710 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 6.096 -7.088 -3.274 0.00 0.00 0.021 A ATOM 11 S UNL d 1 4.713 -7.736 -2.471 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 5.175 -6.916 -1.057 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 4.246 -7.083 0.377 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 6.249 -6.172 -1.116 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 6.777 -6.267 -2.392 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 8.571 -9.600 -3.571 0.00 0.00 0.001 N ATOM 17 O UNL d 1 8.905 -10.353 -4.501 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 7.755 -9.956 -2.705 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3