REMARK VINA RESULT: -4.4 2.012 2.373 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 -7.367 0.286 5.754 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -6.434 0.893 3.732 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -6.511 0.127 4.888 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -5.574 0.907 3.188 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -5.470 -0.925 5.038 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -4.127 -0.646 4.784 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -3.218 -1.678 4.917 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -3.559 -2.932 5.281 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -4.870 -3.174 5.506 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -5.857 -2.214 5.395 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -7.367 1.931 3.529 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -7.374 2.516 4.369 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -6.973 2.548 2.802 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2