REMARK VINA RESULT: -5.3 3.537 4.835 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 -6.637 -0.615 -1.849 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -6.957 -2.064 -0.001 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -6.327 -2.909 -1.993 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -7.155 -4.440 -0.480 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -7.350 -0.823 -0.642 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -6.852 -3.211 -0.758 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -6.805 -1.744 -2.684 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -5.296 -3.701 -2.631 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -6.203 -1.931 1.255 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -6.991 -1.557 2.480 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -7.169 0.098 2.938 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -8.114 -0.391 4.261 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -8.790 0.782 5.315 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -8.298 -1.675 4.428 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -7.648 -2.346 3.407 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -7.863 -4.698 0.630 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -9.059 -4.372 0.721 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -7.292 -5.338 1.529 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3