REMARK VINA RESULT: -4.2 3.533 4.134 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 -7.277 -1.674 0.849 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -6.428 -3.703 1.549 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -6.380 -2.512 0.836 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -5.804 -4.468 1.304 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -5.154 -2.295 0.022 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -3.975 -1.836 0.610 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -2.883 -1.631 -0.212 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -2.897 -1.852 -1.543 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -4.059 -2.282 -2.085 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -5.207 -2.513 -1.353 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -7.570 -3.998 2.323 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -8.134 -3.146 2.388 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -8.153 -4.638 1.762 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2