REMARK VINA RESULT: -2.6 1.913 4.190 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 -2.192 -17.658 2.956 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -3.212 -17.545 5.024 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -3.116 -17.269 3.666 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -3.832 -16.992 5.612 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -4.216 -16.449 3.092 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -5.503 -16.499 3.630 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -6.482 -15.731 3.029 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -6.259 -14.938 1.961 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -5.006 -14.923 1.454 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -3.958 -15.657 1.976 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -2.193 -18.292 5.650 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -2.637 -19.043 6.185 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -1.685 -18.788 4.901 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2