REMARK VINA RESULT: -3.4 2.056 4.387 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 -3.966 13.154 -14.483 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -3.068 12.957 -16.600 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -3.146 12.651 -15.248 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -2.225 12.729 -17.124 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -2.156 11.661 -14.749 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -1.069 12.063 -13.972 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -0.173 11.093 -13.566 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -0.296 9.785 -13.875 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -1.352 9.429 -14.642 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -2.300 10.322 -15.103 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -3.953 13.910 -17.145 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -4.701 14.069 -16.464 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -3.446 14.808 -17.170 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2