REMARK VINA RESULT: -4.3 2.386 4.221 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 30.747 7.026 -42.019 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 29.014 6.415 -43.416 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 30.166 6.169 -42.679 0.00 0.00 0.265 C ATOM 4 H UNL d 1 28.727 5.764 -44.143 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 30.685 4.777 -42.734 0.00 0.00 0.036 A ATOM 6 C UNL d 1 30.204 3.870 -43.680 0.00 0.00 0.036 A ATOM 7 C UNL d 1 30.712 2.585 -43.656 0.00 0.00 0.117 A ATOM 8 N UNL d 1 31.644 2.166 -42.775 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 32.079 3.064 -41.862 0.00 0.00 0.117 A ATOM 10 C UNL d 1 31.631 4.370 -41.798 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 28.475 7.719 -43.439 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 27.714 7.732 -44.124 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 27.997 7.859 -42.536 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2