REMARK VINA RESULT: -4.4 2.225 2.991 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 0.738 5.690 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -6.534 1.227 3.594 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -6.601 0.483 4.765 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -5.721 1.146 2.987 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -5.666 -0.670 4.854 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -6.064 -1.872 5.442 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -5.134 -2.891 5.515 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -3.873 -2.789 5.047 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -3.514 -1.607 4.496 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -4.364 -0.525 4.380 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -7.367 2.355 3.445 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -8.305 2.097 3.765 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -7.052 3.052 4.137 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2