REMARK VINA RESULT: -3.5 2.289 4.235 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 -2.090 1.312 7.649 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -3.382 2.444 9.192 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -2.325 1.626 8.813 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -3.692 2.458 10.161 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -1.466 1.125 9.919 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -1.985 0.934 11.200 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -1.123 0.492 12.185 0.00 0.00 0.117 A ATOM 8 N UNL d 1 0.184 0.233 11.974 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 0.660 0.442 10.726 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -0.116 0.887 9.673 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -4.261 2.936 8.205 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -3.777 3.683 7.697 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -4.368 2.189 7.502 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2