REMARK VINA RESULT: -4.2 2.432 4.186 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 8.808 -8.778 -3.570 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 8.856 -6.509 -3.997 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 8.319 -7.659 -3.432 0.00 0.00 0.265 C ATOM 4 H UNL d 1 8.285 -5.671 -4.081 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 7.079 -7.471 -2.633 0.00 0.00 0.036 A ATOM 6 C UNL d 1 6.058 -8.421 -2.660 0.00 0.00 0.036 A ATOM 7 C UNL d 1 4.923 -8.166 -1.914 0.00 0.00 0.117 A ATOM 8 N UNL d 1 4.753 -7.058 -1.164 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 5.755 -6.150 -1.171 0.00 0.00 0.117 A ATOM 10 C UNL d 1 6.927 -6.305 -1.886 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 10.015 -6.609 -4.795 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 9.908 -5.967 -5.585 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 10.788 -6.202 -4.248 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2