REMARK VINA RESULT: -4.2 2.366 2.789 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 -6.895 0.292 1.618 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -4.836 -0.193 2.543 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -6.032 -0.528 1.921 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -4.286 -0.913 3.007 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -6.231 -1.973 1.635 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -6.739 -2.834 2.609 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -6.871 -4.170 2.282 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -6.541 -4.682 1.078 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -6.038 -3.825 0.161 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -5.860 -2.474 0.389 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -4.585 1.155 2.875 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -5.297 1.730 2.415 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -4.796 1.258 3.880 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2