REMARK VINA RESULT: -3.8 1.966 2.375 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 -8.207 -0.194 0.099 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -7.400 -0.786 2.179 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -7.754 -1.044 0.861 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -7.288 -1.556 2.835 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -7.561 -2.445 0.401 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -6.923 -2.721 -0.809 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -6.803 -4.044 -1.186 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -7.262 -5.077 -0.449 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -7.888 -4.776 0.711 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -8.066 -3.487 1.175 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -7.581 0.512 2.701 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -6.776 1.079 2.420 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -8.371 0.932 2.187 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2