REMARK VINA RESULT: 5.7 0.094 1.495 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 24.994 -4.134 0.667 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 24.270 -3.707 -1.483 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 24.086 -4.084 -0.158 0.00 0.00 0.265 C ATOM 4 H UNL d 1 23.562 -3.933 -2.178 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 22.695 -4.443 0.225 0.00 0.00 0.036 A ATOM 6 C UNL d 1 21.750 -4.785 -0.742 0.00 0.00 0.036 A ATOM 7 C UNL d 1 20.469 -5.080 -0.316 0.00 0.00 0.117 A ATOM 8 N UNL d 1 20.089 -5.060 0.978 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 21.024 -4.710 1.891 0.00 0.00 0.117 A ATOM 10 C UNL d 1 22.329 -4.391 1.568 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 25.566 -3.380 -1.933 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 26.220 -3.565 -1.168 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 25.818 -4.079 -2.649 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2