REMARK VINA RESULT: -4.5 0.000 0.000 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 33.259 9.239 33.314 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 31.387 8.320 34.305 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 32.541 8.267 33.533 0.00 0.00 0.265 C ATOM 4 H UNL d 1 30.697 7.575 34.238 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 32.874 6.937 32.957 0.00 0.00 0.036 A ATOM 6 C UNL d 1 32.748 5.774 33.719 0.00 0.00 0.036 A ATOM 7 C UNL d 1 33.102 4.576 33.129 0.00 0.00 0.117 A ATOM 8 N UNL d 1 33.555 4.471 31.862 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 33.680 5.617 31.155 0.00 0.00 0.117 A ATOM 10 C UNL d 1 33.360 6.865 31.654 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 30.986 9.552 34.862 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 30.595 10.125 34.109 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 30.176 9.355 35.469 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2