REMARK VINA RESULT: -4.1 1.285 1.384 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 -3.417 13.889 -12.848 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -3.924 13.482 -15.127 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -2.456 15.101 -14.577 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -3.286 15.200 -16.726 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -4.406 13.442 -13.759 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -3.259 14.603 -15.576 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -2.976 15.174 -13.240 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -1.095 15.542 -14.800 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -3.703 12.179 -15.772 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -2.635 11.303 -15.177 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -1.120 11.971 -14.691 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -0.627 10.429 -14.178 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 0.915 10.215 -13.457 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -1.465 9.440 -14.354 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -2.618 9.941 -14.932 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -4.225 14.848 -17.617 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -5.412 15.186 -17.469 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -3.844 14.235 -18.629 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3