REMARK VINA RESULT: -4.8 3.149 3.879 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 1.387 -5.917 5.269 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 0.481 -7.718 6.394 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 0.437 -6.443 5.842 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -0.219 -8.000 7.076 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -0.853 -5.719 5.989 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -1.105 -4.550 5.269 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -2.314 -3.914 5.476 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -3.259 -4.364 6.327 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -2.979 -5.490 7.020 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -1.800 -6.197 6.892 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 1.679 -8.459 6.323 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 1.918 -8.577 5.334 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 2.428 -7.850 6.687 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2