REMARK VINA RESULT: -4.0 2.010 2.513 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 31.916 6.645 33.926 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 32.092 8.946 33.866 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 32.462 7.658 33.498 0.00 0.00 0.265 C ATOM 4 H UNL d 1 32.729 9.723 33.703 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 33.593 7.559 32.537 0.00 0.00 0.036 A ATOM 6 C UNL d 1 34.635 8.488 32.558 0.00 0.00 0.036 A ATOM 7 C UNL d 1 35.638 8.350 31.619 0.00 0.00 0.117 A ATOM 8 N UNL d 1 35.666 7.370 30.692 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 34.635 6.495 30.688 0.00 0.00 0.117 A ATOM 10 C UNL d 1 33.581 6.548 31.580 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 31.048 9.124 34.797 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 31.110 8.371 35.488 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 31.271 9.974 35.336 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2