REMARK VINA RESULT: -1.7 2.262 4.032 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 -3.389 -16.778 5.601 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -3.347 -14.590 4.866 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -3.868 -15.877 4.917 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -3.603 -13.968 4.102 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -5.065 -16.124 4.071 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -5.588 -17.410 3.928 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -6.685 -17.571 3.104 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -7.277 -16.557 2.440 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -6.738 -15.325 2.588 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -5.639 -15.059 3.382 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -2.194 -14.282 5.617 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -1.561 -13.746 5.017 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -2.481 -13.605 6.341 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2