REMARK VINA RESULT: -1.7 2.263 4.083 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 -3.389 -16.779 5.591 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -3.331 -14.597 4.842 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -3.853 -15.883 4.892 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -3.572 -13.980 4.069 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -5.034 -16.136 4.024 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -5.700 -15.084 3.395 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -6.807 -15.391 2.626 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -7.270 -16.645 2.449 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -6.611 -17.641 3.084 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -5.500 -17.441 3.879 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -2.192 -14.284 5.613 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -1.377 -14.698 5.152 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -2.039 -13.268 5.521 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2