REMARK VINA RESULT: -4.9 0.000 0.000 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 32.615 2.659 -41.875 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 33.063 4.624 -40.750 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 32.323 3.822 -41.610 0.00 0.00 0.265 C ATOM 4 H UNL d 1 32.943 5.634 -40.769 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 31.128 4.460 -42.223 0.00 0.00 0.036 A ATOM 6 C UNL d 1 30.735 5.748 -41.856 0.00 0.00 0.036 A ATOM 7 C UNL d 1 29.599 6.267 -42.446 0.00 0.00 0.117 A ATOM 8 N UNL d 1 28.856 5.600 -43.354 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 29.254 4.349 -43.677 0.00 0.00 0.117 A ATOM 10 C UNL d 1 30.371 3.737 -43.142 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 34.228 4.102 -40.151 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 34.557 3.324 -40.730 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 34.963 4.818 -40.258 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2