REMARK VINA RESULT: -3.4 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 13.733 43.909 28.315 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 14.470 42.028 27.198 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 14.337 43.399 27.374 0.00 0.00 0.265 C ATOM 4 H UNL d 1 14.736 41.656 26.289 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 14.973 44.250 26.334 0.00 0.00 0.036 A ATOM 6 C UNL d 1 14.386 45.451 25.934 0.00 0.00 0.036 A ATOM 7 C UNL d 1 15.019 46.178 24.943 0.00 0.00 0.117 A ATOM 8 N UNL d 1 16.167 45.792 24.350 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 16.703 44.616 24.750 0.00 0.00 0.117 A ATOM 10 C UNL d 1 16.148 43.813 25.727 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 13.869 41.151 28.125 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 13.696 40.261 27.651 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 14.589 40.922 28.828 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2