REMARK VINA RESULT: -3.7 2.560 3.992 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 10.328 -13.929 3.647 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 10.082 -13.791 5.938 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 9.822 -14.339 4.689 0.00 0.00 0.265 C ATOM 4 H UNL d 1 9.453 -13.979 6.716 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 8.866 -15.478 4.667 0.00 0.00 0.036 A ATOM 6 C UNL d 1 8.925 -16.445 3.663 0.00 0.00 0.036 A ATOM 7 C UNL d 1 7.988 -17.459 3.690 0.00 0.00 0.117 A ATOM 8 N UNL d 1 7.028 -17.566 4.632 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 6.988 -16.606 5.583 0.00 0.00 0.117 A ATOM 10 C UNL d 1 7.874 -15.547 5.642 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 10.955 -12.689 6.040 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 11.047 -12.451 7.031 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 11.894 -13.027 5.779 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2