REMARK VINA RESULT: -4.7 1.878 4.078 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 10.515 -15.017 6.762 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 10.686 -12.986 5.679 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 10.346 -14.330 5.758 0.00 0.00 0.265 C ATOM 4 H UNL d 1 10.778 -12.538 4.769 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 9.754 -14.922 4.529 0.00 0.00 0.036 A ATOM 6 C UNL d 1 9.023 -16.109 4.585 0.00 0.00 0.036 A ATOM 7 C UNL d 1 8.526 -16.616 3.400 0.00 0.00 0.117 A ATOM 8 N UNL d 1 8.705 -16.024 2.200 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 9.430 -14.883 2.177 0.00 0.00 0.117 A ATOM 10 C UNL d 1 9.975 -14.298 3.303 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 11.281 -12.358 6.793 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 11.423 -13.069 7.515 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 12.238 -12.095 6.512 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2