REMARK VINA RESULT: -3.9 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 -8.124 -1.822 3.387 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -7.549 0.310 2.715 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -7.663 -1.063 2.539 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -6.931 0.850 2.113 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -7.179 -1.591 1.236 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -8.077 -1.978 0.240 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -7.557 -2.485 -0.935 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -6.235 -2.621 -1.170 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -5.391 -2.252 -0.181 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -5.809 -1.739 1.032 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -7.960 0.885 3.936 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -8.127 0.125 4.601 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -7.140 1.377 4.323 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2