REMARK VINA RESULT: -4.6 2.104 2.298 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 -3.974 -5.436 7.581 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -3.123 -3.321 7.942 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -3.076 -4.613 7.432 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -2.267 -2.777 8.026 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -1.843 -4.967 6.680 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -1.311 -6.255 6.741 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -0.149 -6.506 6.037 0.00 0.00 0.117 A ATOM 8 N UNL d 1 0.492 -5.578 5.297 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -0.040 -4.335 5.270 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -1.194 -3.980 5.941 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -4.246 -2.917 8.694 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -5.023 -2.771 8.044 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -4.540 -3.733 9.252 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2