REMARK VINA RESULT: -4.2 1.967 2.072 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 4.879 -7.700 -3.292 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 6.272 -7.128 -1.542 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 5.985 -7.359 -2.882 0.00 0.00 0.265 C ATOM 4 H UNL d 1 7.239 -7.112 -1.226 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 7.118 -7.175 -3.828 0.00 0.00 0.036 A ATOM 6 C UNL d 1 6.901 -7.127 -5.205 0.00 0.00 0.036 A ATOM 7 C UNL d 1 8.003 -6.981 -6.026 0.00 0.00 0.117 A ATOM 8 N UNL d 1 9.268 -6.879 -5.568 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 9.446 -6.944 -4.230 0.00 0.00 0.117 A ATOM 10 C UNL d 1 8.414 -7.094 -3.324 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 5.258 -7.310 -0.579 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 5.388 -8.234 -0.157 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 5.460 -6.656 0.193 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2