REMARK VINA RESULT: -2.9 1.220 1.920 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 41.425 63.891 57.397 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 42.497 65.931 57.255 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 42.308 64.656 57.774 0.00 0.00 0.265 C ATOM 4 H UNL d 1 43.051 66.612 57.769 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 43.251 64.249 58.850 0.00 0.00 0.036 A ATOM 6 C UNL d 1 44.596 64.004 58.569 0.00 0.00 0.036 A ATOM 7 C UNL d 1 45.408 63.603 59.612 0.00 0.00 0.117 A ATOM 8 N UNL d 1 44.974 63.441 60.880 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 43.663 63.672 61.116 0.00 0.00 0.117 A ATOM 10 C UNL d 1 42.766 64.071 60.143 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 41.625 66.402 56.252 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 41.939 66.019 55.356 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 40.714 65.946 56.410 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2