REMARK VINA RESULT: -4.8 2.486 3.049 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 0.546 -0.881 11.037 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -0.210 1.346 11.324 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 1.917 0.957 10.690 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 1.489 3.079 11.485 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -0.348 -0.037 11.740 0.00 0.00 0.314 C ATOM 6 C UNL d 1 1.050 1.893 11.204 0.00 0.00 0.725 C ATOM 7 C UNL d 1 1.863 -0.389 11.190 0.00 0.00 0.313 C ATOM 8 C UNL d 1 2.879 1.256 9.649 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -1.338 1.909 10.567 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -2.297 0.926 9.952 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -3.838 0.635 10.673 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -4.190 -0.465 9.428 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -5.713 -1.253 9.381 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -3.263 -0.673 8.528 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -2.173 0.124 8.832 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 0.704 3.913 12.184 0.00 0.00 0.001 N ATOM 17 O UNL d 1 0.569 3.790 13.414 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 0.178 4.850 11.561 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3