REMARK VINA RESULT: -4.7 3.255 3.919 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_2 and N_4 REMARK I between atoms: N_2 and C_8 REMARK 2 A between atoms: C_5 and C_8 ROOT ATOM 1 O UNL d 1 -16.057 22.218 -28.435 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -18.324 21.788 -28.516 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -17.050 21.657 -27.978 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -19.047 21.113 -28.278 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -16.937 20.773 -26.788 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -15.755 20.081 -26.518 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -15.731 19.256 -25.411 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -16.780 19.088 -24.579 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -17.915 19.761 -24.876 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -18.045 20.605 -25.961 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -18.509 22.586 -29.663 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -18.626 21.961 -30.466 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -19.431 23.038 -29.566 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2