REMARK VINA RESULT: -4.0 2.305 3.160 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 41.225 63.382 56.773 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 43.412 63.174 57.661 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 41.627 62.987 59.023 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 43.646 63.346 60.076 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 42.580 63.776 56.637 0.00 0.00 0.314 C ATOM 6 C UNL d 1 42.986 63.186 58.972 0.00 0.00 0.725 C ATOM 7 C UNL d 1 40.788 63.679 58.084 0.00 0.00 0.313 C ATOM 8 C UNL d 1 40.992 62.093 59.969 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 44.366 62.153 57.201 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 45.407 62.598 56.211 0.00 0.00 0.021 A ATOM 11 S UNL d 1 46.496 63.879 56.599 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 47.230 63.688 55.080 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 48.573 64.665 54.644 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 46.733 62.780 54.280 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 45.682 62.156 54.929 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 44.922 63.756 60.015 0.00 0.00 0.001 N ATOM 17 O UNL d 1 45.208 64.926 59.710 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 45.796 62.937 60.346 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3