REMARK VINA RESULT: 7.3 2.785 3.886 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 22.151 -4.173 1.092 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 20.371 -5.284 0.130 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 21.400 -5.144 1.053 0.00 0.00 0.265 C ATOM 4 H UNL d 1 19.959 -6.200 -0.036 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 21.561 -6.263 2.018 0.00 0.00 0.036 A ATOM 6 C UNL d 1 22.695 -6.355 2.826 0.00 0.00 0.036 A ATOM 7 C UNL d 1 22.790 -7.437 3.680 0.00 0.00 0.117 A ATOM 8 N UNL d 1 21.849 -8.399 3.778 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 20.769 -8.288 2.972 0.00 0.00 0.117 A ATOM 10 C UNL d 1 20.581 -7.251 2.079 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 20.172 -4.279 -0.839 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 20.194 -3.374 -0.362 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 21.015 -4.267 -1.433 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2