REMARK VINA RESULT: -4.4 2.401 2.818 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 11.954 3.018 -12.058 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 9.962 3.489 -10.991 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 11.233 2.935 -11.067 0.00 0.00 0.265 C ATOM 4 H UNL d 1 9.312 3.174 -10.274 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 11.695 2.206 -9.856 0.00 0.00 0.036 A ATOM 6 C UNL d 1 11.021 2.336 -8.641 0.00 0.00 0.036 A ATOM 7 C UNL d 1 11.522 1.651 -7.551 0.00 0.00 0.117 A ATOM 8 N UNL d 1 12.618 0.865 -7.600 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 13.257 0.771 -8.788 0.00 0.00 0.117 A ATOM 10 C UNL d 1 12.842 1.419 -9.936 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 9.439 4.172 -12.110 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 8.519 4.539 -11.852 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 10.016 5.017 -12.239 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2