REMARK VINA RESULT: -4.4 0.122 1.497 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 -4.897 0.278 4.024 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -6.132 -1.373 5.064 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -4.949 -0.722 4.735 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -6.105 -2.325 5.421 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -3.706 -1.316 5.295 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -3.597 -2.692 5.498 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -2.424 -3.172 6.047 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -1.383 -2.385 6.391 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -1.525 -1.055 6.196 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -2.658 -0.474 5.659 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -7.352 -0.888 4.548 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -7.950 -1.695 4.348 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -7.834 -0.409 5.324 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2