REMARK VINA RESULT: -3.7 1.688 2.194 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 37.524 -39.486 -46.047 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 37.227 -39.650 -43.763 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 37.149 -38.994 -44.985 0.00 0.00 0.265 C ATOM 4 H UNL d 1 37.159 -39.120 -42.897 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 36.581 -37.621 -44.948 0.00 0.00 0.036 A ATOM 6 C UNL d 1 35.325 -37.379 -44.388 0.00 0.00 0.036 A ATOM 7 C UNL d 1 34.848 -36.083 -44.412 0.00 0.00 0.117 A ATOM 8 N UNL d 1 35.529 -35.045 -44.941 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 36.735 -35.314 -45.488 0.00 0.00 0.117 A ATOM 10 C UNL d 1 37.300 -36.574 -45.521 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 37.782 -40.946 -43.710 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 37.108 -41.557 -43.241 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 37.805 -41.300 -44.679 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2