REMARK VINA RESULT: -5.7 2.869 4.505 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 12.439 6.977 -9.873 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 12.055 4.860 -10.864 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 11.293 6.725 -11.873 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 10.367 4.747 -12.612 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 12.245 5.595 -9.628 0.00 0.00 0.314 C ATOM 6 C UNL d 1 11.192 5.355 -11.819 0.00 0.00 0.725 C ATOM 7 C UNL d 1 11.359 7.466 -10.643 0.00 0.00 0.313 C ATOM 8 C UNL d 1 11.354 7.467 -13.115 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 13.145 3.951 -11.250 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 13.267 2.672 -10.467 0.00 0.00 0.021 A ATOM 11 S UNL d 1 14.696 2.331 -9.560 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 14.000 0.867 -9.054 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 14.853 -0.164 -7.979 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 12.810 0.575 -9.513 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 12.390 1.611 -10.328 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 10.111 3.446 -12.408 0.00 0.00 0.001 N ATOM 17 O UNL d 1 9.417 3.069 -11.448 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 10.537 2.645 -13.258 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3