REMARK VINA RESULT: -4.7 1.884 4.322 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 10.501 -15.000 6.771 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 10.697 -12.980 5.671 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 10.355 -14.324 5.756 0.00 0.00 0.265 C ATOM 4 H UNL d 1 10.809 -12.541 4.760 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 9.793 -14.928 4.519 0.00 0.00 0.036 A ATOM 6 C UNL d 1 9.976 -14.320 3.277 0.00 0.00 0.036 A ATOM 7 C UNL d 1 9.403 -14.923 2.174 0.00 0.00 0.117 A ATOM 8 N UNL d 1 8.684 -16.064 2.234 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 8.513 -16.621 3.454 0.00 0.00 0.117 A ATOM 10 C UNL d 1 9.039 -16.095 4.618 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 11.264 -12.340 6.793 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 10.544 -12.282 7.519 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 11.960 -12.992 7.187 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2