REMARK VINA RESULT: -4.7 0.080 1.494 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 8.318 -16.871 3.247 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 9.371 -15.217 2.028 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 9.032 -15.872 3.205 0.00 0.00 0.265 C ATOM 4 H UNL d 1 9.730 -14.265 2.061 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 9.585 -15.285 4.455 0.00 0.00 0.036 A ATOM 6 C UNL d 1 9.883 -13.925 4.537 0.00 0.00 0.036 A ATOM 7 C UNL d 1 10.420 -13.454 5.720 0.00 0.00 0.117 A ATOM 8 N UNL d 1 10.665 -14.234 6.793 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 10.379 -15.550 6.677 0.00 0.00 0.117 A ATOM 10 C UNL d 1 9.846 -16.122 5.537 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 8.862 -15.694 0.802 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 8.487 -14.894 0.285 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 9.672 -15.995 0.240 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2