REMARK VINA RESULT: -5.7 2.520 4.450 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 -4.956 0.769 2.241 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -4.628 -1.496 2.854 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -6.535 -0.877 1.824 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -6.591 -2.933 2.868 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -4.335 -0.110 3.162 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -5.925 -1.863 2.563 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -6.342 0.495 2.204 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -7.354 -1.151 0.662 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -3.501 -2.301 2.359 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -3.263 -2.291 0.874 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -3.751 -3.628 -0.103 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -3.170 -2.812 -1.474 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -3.326 -3.523 -3.028 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -2.614 -1.642 -1.289 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -2.664 -1.344 0.062 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -6.074 -3.785 3.766 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -5.577 -4.868 3.412 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -6.050 -3.413 4.951 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3