REMARK VINA RESULT: -2.3 2.144 2.577 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 16.862 42.894 26.580 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 15.148 41.953 25.353 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 15.764 42.992 26.038 0.00 0.00 0.265 C ATOM 4 H UNL d 1 14.151 41.994 25.157 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 15.006 44.270 26.093 0.00 0.00 0.036 A ATOM 6 C UNL d 1 14.254 44.610 27.218 0.00 0.00 0.036 A ATOM 7 C UNL d 1 13.553 45.800 27.189 0.00 0.00 0.117 A ATOM 8 N UNL d 1 13.561 46.647 26.139 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 14.288 46.283 25.058 0.00 0.00 0.117 A ATOM 10 C UNL d 1 15.018 45.113 24.984 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 15.790 40.699 25.280 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 15.876 40.334 26.233 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 15.127 40.051 24.827 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2