REMARK VINA RESULT: -3.6 1.970 4.169 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 34.739 -37.289 -46.199 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 35.560 -36.039 -44.440 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 35.555 -37.135 -45.294 0.00 0.00 0.265 C ATOM 4 H UNL d 1 36.070 -36.082 -43.561 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 36.613 -38.150 -45.050 0.00 0.00 0.036 A ATOM 6 C UNL d 1 36.717 -38.795 -43.816 0.00 0.00 0.036 A ATOM 7 C UNL d 1 37.742 -39.707 -43.651 0.00 0.00 0.117 A ATOM 8 N UNL d 1 38.637 -40.009 -44.614 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 38.519 -39.357 -45.792 0.00 0.00 0.117 A ATOM 10 C UNL d 1 37.535 -38.424 -46.057 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 34.570 -35.045 -44.588 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 34.197 -35.112 -45.539 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 33.777 -35.324 -43.991 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2