REMARK VINA RESULT: -3.5 2.052 2.113 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 0.382 1.190 10.046 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 0.005 0.432 7.898 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -0.398 0.909 9.139 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -0.666 -0.031 7.289 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -1.864 1.061 9.329 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -2.640 1.752 8.397 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -3.992 1.878 8.652 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -4.598 1.368 9.744 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -3.817 0.717 10.635 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -2.456 0.541 10.478 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 1.379 0.232 7.649 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 1.892 1.011 8.070 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 1.667 -0.585 8.210 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2