REMARK VINA RESULT: -4.3 3.050 3.546 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 -5.621 -4.532 0.386 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -6.774 -3.275 -1.170 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -6.046 -3.446 0.001 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -7.323 -2.429 -1.308 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -5.803 -2.214 0.798 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -4.514 -1.860 1.195 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -4.365 -0.717 1.957 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -5.395 0.071 2.331 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -6.633 -0.307 1.943 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -6.890 -1.433 1.185 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -7.072 -4.399 -1.967 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -6.931 -5.237 -1.395 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -8.090 -4.384 -2.136 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2