REMARK VINA RESULT: -4.9 2.159 2.634 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 -18.707 18.873 -27.342 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -19.100 21.080 -27.891 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -18.458 20.066 -27.192 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -19.056 22.038 -27.551 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -17.426 20.505 -26.215 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -16.427 19.631 -25.786 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -15.519 20.099 -24.856 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -15.543 21.349 -24.349 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -16.532 22.167 -24.774 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -17.493 21.796 -25.695 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -20.112 20.747 -28.815 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -20.662 19.981 -28.417 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -20.771 21.541 -28.834 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2