REMARK VINA RESULT: -2.8 2.203 2.280 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 -6.521 -15.598 2.679 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -5.910 -17.627 3.595 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -5.750 -16.267 3.362 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -5.125 -18.180 3.931 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -4.558 -15.638 3.990 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -4.681 -14.859 5.141 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -3.535 -14.283 5.655 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -2.311 -14.436 5.108 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -2.227 -15.184 3.985 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -3.312 -15.798 3.389 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -7.000 -18.303 3.010 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -6.690 -19.249 2.768 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -7.694 -18.454 3.758 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2