REMARK VINA RESULT: -4.8 2.614 3.629 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 -2.937 -5.521 6.078 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -1.717 -3.563 5.983 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -1.854 -4.945 6.003 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -0.815 -3.139 6.188 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -0.588 -5.722 5.936 0.00 0.00 0.036 A ATOM 6 C UNL d 1 0.547 -5.192 5.322 0.00 0.00 0.036 A ATOM 7 C UNL d 1 1.680 -5.981 5.272 0.00 0.00 0.117 A ATOM 8 N UNL d 1 1.748 -7.226 5.787 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 0.627 -7.717 6.363 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -0.558 -7.013 6.459 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -2.869 -2.754 6.073 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -3.559 -3.252 6.643 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -2.616 -1.937 6.648 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2