REMARK VINA RESULT: 7.6 2.040 4.351 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 20.378 -4.690 1.520 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 21.846 -6.446 1.817 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 21.442 -5.242 1.254 0.00 0.00 0.265 C ATOM 4 H UNL d 1 22.588 -6.988 1.378 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 22.385 -4.635 0.277 0.00 0.00 0.036 A ATOM 6 C UNL d 1 22.197 -4.798 -1.096 0.00 0.00 0.036 A ATOM 7 C UNL d 1 23.128 -4.230 -1.945 0.00 0.00 0.117 A ATOM 8 N UNL d 1 24.198 -3.527 -1.519 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 24.360 -3.400 -0.183 0.00 0.00 0.117 A ATOM 10 C UNL d 1 23.491 -3.934 0.750 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 20.994 -7.101 2.730 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 20.365 -7.706 2.196 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 21.580 -7.762 3.263 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2