REMARK VINA RESULT: -2.9 1.789 4.126 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 45.168 64.826 59.350 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 43.596 63.421 60.290 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 44.133 64.172 59.252 0.00 0.00 0.265 C ATOM 4 H UNL d 1 42.624 63.123 60.251 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 43.369 64.153 57.977 0.00 0.00 0.036 A ATOM 6 C UNL d 1 41.975 64.095 57.977 0.00 0.00 0.036 A ATOM 7 C UNL d 1 41.332 64.053 56.755 0.00 0.00 0.117 A ATOM 8 N UNL d 1 41.976 64.070 55.570 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 43.327 64.112 55.603 0.00 0.00 0.117 A ATOM 10 C UNL d 1 44.065 64.150 56.770 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 44.246 63.411 61.542 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 45.170 63.833 61.420 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 43.745 64.083 62.143 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2