REMARK VINA RESULT: -5.2 0.034 1.493 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 32.711 74.822 103.120 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 32.102 73.077 104.504 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 32.810 74.230 104.192 0.00 0.00 0.265 C ATOM 4 H UNL d 1 32.408 72.485 105.273 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 33.731 74.729 105.248 0.00 0.00 0.036 A ATOM 6 C UNL d 1 34.123 73.907 106.305 0.00 0.00 0.036 A ATOM 7 C UNL d 1 34.959 74.446 107.264 0.00 0.00 0.117 A ATOM 8 N UNL d 1 35.416 75.714 107.230 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 35.007 76.490 106.202 0.00 0.00 0.117 A ATOM 10 C UNL d 1 34.168 76.051 105.195 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 31.230 72.523 103.544 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 30.890 73.285 102.951 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 31.809 71.954 102.908 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2