REMARK VINA RESULT: -4.5 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 -4.936 0.244 4.040 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -6.159 -1.497 4.937 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -4.987 -0.788 4.705 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -6.114 -2.463 5.255 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -3.754 -1.359 5.309 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -2.664 -0.545 5.618 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -1.541 -1.147 6.152 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -1.446 -2.471 6.394 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -2.514 -3.235 6.071 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -3.680 -2.733 5.527 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -7.367 -1.037 4.373 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -7.315 -0.017 4.308 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -7.373 -1.348 3.389 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2