REMARK VINA RESULT: -4.1 1.453 1.457 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 -0.218 12.162 -12.624 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -0.170 10.617 -14.339 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -0.672 11.733 -13.682 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -0.730 10.150 -15.049 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -1.828 12.403 -14.334 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -2.187 12.096 -15.648 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -3.255 12.777 -16.199 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -3.967 13.713 -15.538 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -3.586 13.998 -14.273 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -2.530 13.380 -13.632 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 0.908 9.908 -13.769 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 0.526 9.260 -13.075 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 1.281 9.290 -14.506 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2