REMARK VINA RESULT: -4.5 3.056 3.865 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 -5.108 14.545 -14.313 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -3.252 13.083 -14.131 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -4.273 13.357 -16.121 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -2.898 11.514 -15.955 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -4.392 13.674 -13.456 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -3.413 12.564 -15.399 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -5.467 13.845 -15.488 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -4.027 13.745 -17.495 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -1.927 13.530 -13.675 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -1.035 14.164 -14.707 0.00 0.00 0.021 A ATOM 11 S UNL d 1 0.607 13.660 -14.876 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 0.797 14.774 -16.143 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 2.296 14.889 -16.971 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -0.234 15.520 -16.449 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -1.286 15.172 -15.620 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -2.241 10.630 -15.189 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -2.851 9.773 -14.527 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -0.999 10.661 -15.228 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3