REMARK VINA RESULT: -5.1 1.707 2.257 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 1 110.693 85.892 49.489 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 110.364 83.900 50.609 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 111.046 85.081 50.342 0.00 0.00 0.265 C ATOM 4 H UNL d 1 110.827 83.151 51.118 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 112.266 85.323 51.156 0.00 0.00 0.036 A ATOM 6 C UNL d 1 112.998 86.502 51.017 0.00 0.00 0.036 A ATOM 7 C UNL d 1 114.137 86.647 51.786 0.00 0.00 0.117 A ATOM 8 N UNL d 1 114.573 85.717 52.661 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 113.850 84.579 52.761 0.00 0.00 0.117 A ATOM 10 C UNL d 1 112.701 84.333 52.035 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 109.213 83.583 49.859 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 109.264 84.094 48.973 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 109.302 82.594 49.580 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2