REMARK VINA RESULT: 6.6 3.254 4.400 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 21.008 -8.210 2.909 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 23.145 -7.409 3.256 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 21.866 -7.352 2.717 0.00 0.00 0.265 C ATOM 4 H UNL d 1 23.887 -6.834 2.862 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 21.575 -6.172 1.862 0.00 0.00 0.036 A ATOM 6 C UNL d 1 20.278 -5.910 1.417 0.00 0.00 0.036 A ATOM 7 C UNL d 1 20.085 -4.811 0.603 0.00 0.00 0.117 A ATOM 8 N UNL d 1 21.077 -3.980 0.222 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 22.325 -4.268 0.657 0.00 0.00 0.117 A ATOM 10 C UNL d 1 22.625 -5.345 1.468 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 23.509 -8.512 4.054 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 22.690 -9.120 4.142 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 24.175 -9.073 3.501 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2