REMARK VINA RESULT: -4.8 0.000 0.000 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 -6.689 0.781 1.908 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -7.661 -0.755 0.486 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -6.891 -0.385 1.581 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -7.582 -1.695 0.103 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -6.297 -1.503 2.362 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -5.131 -1.317 3.105 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -4.620 -2.406 3.784 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -5.187 -3.630 3.770 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -6.308 -3.781 3.029 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -6.896 -2.759 2.309 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -8.236 0.247 -0.324 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -7.643 0.361 -1.151 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -9.114 -0.141 -0.700 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2