REMARK VINA RESULT: -3.5 2.332 4.076 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 -1.949 1.328 7.677 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -3.240 2.429 9.243 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -2.177 1.626 8.846 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -3.542 2.427 10.215 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -1.305 1.121 9.939 0.00 0.00 0.036 A ATOM 6 C UNL d 1 0.042 0.839 9.708 0.00 0.00 0.036 A ATOM 7 C UNL d 1 0.787 0.346 10.762 0.00 0.00 0.117 A ATOM 8 N UNL d 1 0.285 0.129 11.996 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -1.027 0.398 12.183 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -1.859 0.887 11.195 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -4.131 2.924 8.269 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -4.476 2.128 7.724 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -4.967 3.259 8.773 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2