REMARK VINA RESULT: -3.8 2.416 3.849 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 28.814 5.460 -43.150 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 30.697 6.742 -42.776 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 30.015 5.539 -42.901 0.00 0.00 0.265 C ATOM 4 H UNL d 1 31.604 6.766 -42.315 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 30.828 4.310 -42.705 0.00 0.00 0.036 A ATOM 6 C UNL d 1 31.854 4.272 -41.760 0.00 0.00 0.036 A ATOM 7 C UNL d 1 32.587 3.106 -41.651 0.00 0.00 0.117 A ATOM 8 N UNL d 1 32.361 2.008 -42.402 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 31.370 2.081 -43.319 0.00 0.00 0.117 A ATOM 10 C UNL d 1 30.583 3.200 -43.511 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 29.990 7.954 -42.919 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 29.499 8.137 -42.039 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 30.694 8.706 -42.969 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2