REMARK VINA RESULT: -6.2 2.386 3.739 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 1 112.646 81.913 51.442 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 112.667 84.184 50.765 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 110.728 83.216 51.382 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 110.525 85.194 50.214 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 113.284 82.879 50.625 0.00 0.00 0.314 C ATOM 6 C UNL d 1 111.293 84.288 50.732 0.00 0.00 0.725 C ATOM 7 C UNL d 1 111.263 81.903 51.149 0.00 0.00 0.313 C ATOM 8 C UNL d 1 109.624 83.344 52.310 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 113.473 85.210 51.444 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 112.866 85.850 52.662 0.00 0.00 0.021 A ATOM 11 S UNL d 1 112.609 84.931 54.100 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 111.986 86.320 54.852 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 111.480 86.258 56.491 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 111.916 87.413 54.135 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 112.418 87.142 52.875 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 111.064 86.113 49.399 0.00 0.00 0.001 N ATOM 17 O UNL d 1 111.555 85.793 48.303 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 110.985 87.301 49.756 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3