REMARK VINA RESULT: -4.6 2.399 4.094 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 28.816 5.391 -43.146 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 30.674 6.708 -42.768 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 30.017 5.492 -42.911 0.00 0.00 0.265 C ATOM 4 H UNL d 1 31.586 6.743 -42.319 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 30.861 4.278 -42.753 0.00 0.00 0.036 A ATOM 6 C UNL d 1 30.644 3.147 -43.540 0.00 0.00 0.036 A ATOM 7 C UNL d 1 31.448 2.045 -43.320 0.00 0.00 0.117 A ATOM 8 N UNL d 1 32.429 2.008 -42.394 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 32.605 3.115 -41.637 0.00 0.00 0.117 A ATOM 10 C UNL d 1 31.852 4.265 -41.773 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 29.938 7.906 -42.874 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 29.695 8.040 -43.860 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 29.029 7.739 -42.416 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2