REMARK VINA RESULT: -4.6 1.809 4.116 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 1 114.213 86.101 52.117 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 113.446 87.312 50.308 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 113.504 86.185 51.118 0.00 0.00 0.265 C ATOM 4 H UNL d 1 113.063 87.243 49.367 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 112.646 85.044 50.702 0.00 0.00 0.036 A ATOM 6 C UNL d 1 112.956 83.738 51.082 0.00 0.00 0.036 A ATOM 7 C UNL d 1 112.130 82.724 50.637 0.00 0.00 0.117 A ATOM 8 N UNL d 1 111.044 82.930 49.862 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 110.779 84.205 49.498 0.00 0.00 0.117 A ATOM 10 C UNL d 1 111.544 85.288 49.885 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 114.253 88.427 50.618 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 114.453 88.400 51.622 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 115.171 88.262 50.178 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2