REMARK VINA RESULT: -3.4 1.319 1.356 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 16.520 42.789 27.201 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 14.238 42.487 27.014 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 15.436 43.136 26.739 0.00 0.00 0.265 C ATOM 4 H UNL d 1 13.353 42.956 26.834 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 15.341 44.313 25.835 0.00 0.00 0.036 A ATOM 6 C UNL d 1 14.473 45.368 26.121 0.00 0.00 0.036 A ATOM 7 C UNL d 1 14.417 46.417 25.223 0.00 0.00 0.117 A ATOM 8 N UNL d 1 15.155 46.477 24.096 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 15.976 45.433 23.840 0.00 0.00 0.117 A ATOM 10 C UNL d 1 16.101 44.334 24.668 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 14.239 41.379 27.886 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 13.785 41.665 28.758 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 13.591 40.684 27.485 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2