REMARK VINA RESULT: -3.2 3.488 4.577 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 -1.751 -19.177 5.907 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -2.365 -16.929 6.335 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -1.198 -17.438 4.476 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -1.218 -15.207 5.057 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -2.025 -18.216 6.911 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -1.591 -16.421 5.313 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -0.745 -18.675 5.050 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -1.235 -17.334 3.032 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -3.763 -16.500 6.491 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -4.610 -16.492 5.247 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -5.436 -15.058 4.758 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -6.038 -15.890 3.406 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -7.028 -15.076 2.264 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -5.715 -17.152 3.283 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -4.897 -17.499 4.344 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -1.414 -14.258 5.985 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -0.692 -14.185 6.994 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -2.300 -13.417 5.756 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3