REMARK VINA RESULT: -4.5 1.505 4.102 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 -1.968 -2.798 7.137 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -0.829 -4.258 5.759 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -1.794 -3.934 6.704 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -0.546 -5.227 5.633 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -2.628 -5.064 7.191 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -2.675 -6.272 6.495 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -3.493 -7.269 6.990 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -4.241 -7.139 8.105 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -4.185 -5.951 8.749 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -3.405 -4.889 8.334 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 0.024 -3.247 5.269 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -0.178 -3.121 4.273 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -0.287 -2.362 5.698 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2