REMARK VINA RESULT: -4.0 3.276 4.428 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 14.561 46.227 22.981 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 15.647 44.628 24.351 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 13.823 45.706 25.116 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 15.094 44.644 26.720 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 15.799 45.613 23.298 0.00 0.00 0.314 C ATOM 6 C UNL d 1 14.911 44.946 25.473 0.00 0.00 0.725 C ATOM 7 C UNL d 1 13.997 46.764 24.160 0.00 0.00 0.313 C ATOM 8 C UNL d 1 12.493 45.483 25.645 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 15.821 43.223 23.952 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 14.598 42.349 24.001 0.00 0.00 0.021 A ATOM 11 S UNL d 1 14.516 41.011 25.088 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 12.952 40.673 24.523 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 12.057 39.372 25.194 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 12.475 41.438 23.574 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 13.423 42.400 23.271 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 16.262 44.096 27.090 0.00 0.00 0.001 N ATOM 17 O UNL d 1 17.309 44.765 27.111 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 16.235 42.915 27.478 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3