REMARK VINA RESULT: -4.4 1.573 2.274 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 -7.350 -1.332 5.007 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -6.187 0.425 4.064 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -6.283 -0.789 4.733 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -5.319 0.955 4.096 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -4.993 -1.419 5.120 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -4.936 -2.759 5.505 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -3.709 -3.270 5.879 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -2.569 -2.548 5.887 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -2.659 -1.249 5.524 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -3.838 -0.640 5.139 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -7.366 1.100 3.688 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -7.756 1.541 4.526 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -7.078 1.898 3.100 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2