REMARK VINA RESULT: -3.8 3.455 5.237 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 35.271 -37.208 -47.045 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 37.218 -36.282 -46.063 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 35.183 -35.643 -45.336 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 36.933 -34.270 -44.726 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 36.623 -36.845 -47.260 0.00 0.00 0.314 C ATOM 6 C UNL d 1 36.522 -35.332 -45.346 0.00 0.00 0.725 C ATOM 7 C UNL d 1 34.564 -36.086 -46.555 0.00 0.00 0.313 C ATOM 8 C UNL d 1 34.360 -35.564 -44.147 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 38.247 -37.102 -45.405 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 37.825 -38.468 -44.938 0.00 0.00 0.021 A ATOM 11 S UNL d 1 38.278 -39.878 -45.824 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 37.474 -40.834 -44.674 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 37.483 -42.544 -44.819 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 36.865 -40.215 -43.695 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 37.063 -38.854 -43.849 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 38.193 -33.852 -44.920 0.00 0.00 0.001 N ATOM 17 O UNL d 1 38.602 -33.545 -46.053 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 38.906 -33.717 -43.911 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3