REMARK VINA RESULT: -4.7 1.458 2.140 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 4.248 -7.779 -2.992 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 5.482 -7.251 -1.113 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 5.332 -7.704 -2.418 0.00 0.00 0.265 C ATOM 4 H UNL d 1 6.336 -7.456 -0.600 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 6.582 -8.116 -3.108 0.00 0.00 0.036 A ATOM 6 C UNL d 1 7.239 -9.297 -2.759 0.00 0.00 0.036 A ATOM 7 C UNL d 1 8.411 -9.603 -3.424 0.00 0.00 0.117 A ATOM 8 N UNL d 1 8.948 -8.827 -4.389 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 8.296 -7.683 -4.694 0.00 0.00 0.117 A ATOM 10 C UNL d 1 7.122 -7.283 -4.085 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 4.339 -6.870 -0.379 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 3.656 -7.629 -0.445 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 4.611 -6.868 0.616 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2