REMARK VINA RESULT: -2.9 2.147 3.552 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 -4.149 -13.230 7.133 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -4.913 -15.140 5.957 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -3.203 -13.926 5.133 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -4.207 -15.369 3.641 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -5.267 -14.052 6.849 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -4.152 -14.876 4.838 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -3.583 -12.783 5.916 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -1.822 -14.027 4.707 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -4.922 -16.488 6.547 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -3.586 -17.152 6.736 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -3.422 -18.861 6.555 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -1.764 -18.717 6.888 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -0.757 -20.106 6.865 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -1.305 -17.520 7.155 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -2.353 -16.621 7.071 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -5.262 -16.124 3.298 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -6.296 -15.612 2.836 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -5.131 -17.356 3.396 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3