REMARK VINA RESULT: -3.7 3.155 4.711 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 -4.415 15.319 -14.546 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -2.180 14.666 -14.106 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -3.471 13.406 -15.455 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -1.566 12.379 -14.658 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -3.357 15.350 -13.604 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -2.320 13.432 -14.704 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -4.670 13.976 -14.908 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -3.534 12.844 -16.789 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -1.023 15.518 -14.423 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -0.409 15.344 -15.785 0.00 0.00 0.021 A ATOM 11 S UNL d 1 1.233 14.837 -15.949 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 1.058 14.888 -17.638 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 2.368 14.439 -18.652 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -0.098 15.275 -18.112 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -0.941 15.541 -17.047 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -0.571 12.331 -13.760 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -0.744 12.703 -12.587 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 0.505 11.834 -14.134 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3