REMARK VINA RESULT: -3.0 2.799 3.566 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 3.942 -3.726 8.079 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 4.232 -2.991 10.248 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 4.623 -3.669 9.100 0.00 0.00 0.265 C ATOM 4 H UNL d 1 4.689 -3.191 11.135 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 5.942 -4.352 9.167 0.00 0.00 0.036 A ATOM 6 C UNL d 1 6.536 -4.878 8.020 0.00 0.00 0.036 A ATOM 7 C UNL d 1 7.750 -5.523 8.162 0.00 0.00 0.117 A ATOM 8 N UNL d 1 8.388 -5.666 9.342 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 7.779 -5.158 10.437 0.00 0.00 0.117 A ATOM 10 C UNL d 1 6.564 -4.501 10.405 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 2.980 -2.343 10.274 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 3.149 -1.333 10.245 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 2.522 -2.543 9.372 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2