REMARK VINA RESULT: -3.9 3.433 5.097 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 35.055 -35.764 -47.298 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 37.379 -36.199 -47.462 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 36.615 -34.762 -45.905 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 38.876 -34.648 -46.337 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 36.115 -36.119 -48.169 0.00 0.00 0.314 C ATOM 6 C UNL d 1 37.728 -35.193 -46.586 0.00 0.00 0.725 C ATOM 7 C UNL d 1 35.390 -34.564 -46.629 0.00 0.00 0.313 C ATOM 8 C UNL d 1 36.607 -34.509 -44.478 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 37.950 -37.546 -47.311 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 37.837 -38.180 -45.952 0.00 0.00 0.021 A ATOM 11 S UNL d 1 39.245 -38.459 -44.993 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 38.259 -39.105 -43.770 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 38.956 -39.641 -42.297 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 36.973 -39.168 -44.004 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 36.731 -38.640 -45.260 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 39.911 -34.913 -47.150 0.00 0.00 0.001 N ATOM 17 O UNL d 1 39.985 -34.406 -48.282 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 40.820 -35.627 -46.694 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3