REMARK VINA RESULT: -4.0 3.601 4.730 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 12.259 43.040 27.948 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 13.743 43.368 26.129 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 13.428 41.297 26.961 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 15.288 41.559 25.623 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 13.150 43.946 27.321 0.00 0.00 0.314 C ATOM 6 C UNL d 1 14.241 42.083 26.178 0.00 0.00 0.725 C ATOM 7 C UNL d 1 12.938 41.827 28.203 0.00 0.00 0.313 C ATOM 8 C UNL d 1 13.023 39.958 26.587 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 13.316 43.951 24.848 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 13.941 45.264 24.461 0.00 0.00 0.021 A ATOM 11 S UNL d 1 14.826 45.415 22.987 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 15.101 47.052 23.344 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 15.970 48.039 22.242 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 14.626 47.510 24.474 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 13.962 46.481 25.119 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 16.190 42.368 25.047 0.00 0.00 0.001 N ATOM 17 O UNL d 1 16.983 43.039 25.730 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 16.244 42.362 23.805 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3