REMARK VINA RESULT: 7.4 2.801 4.054 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 22.104 -4.162 1.175 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 20.369 -5.271 0.132 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 21.376 -5.146 1.081 0.00 0.00 0.265 C ATOM 4 H UNL d 1 19.981 -6.188 -0.079 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 21.543 -6.300 2.004 0.00 0.00 0.036 A ATOM 6 C UNL d 1 20.561 -7.287 2.103 0.00 0.00 0.036 A ATOM 7 C UNL d 1 20.770 -8.316 3.001 0.00 0.00 0.117 A ATOM 8 N UNL d 1 21.868 -8.419 3.778 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 22.794 -7.439 3.669 0.00 0.00 0.117 A ATOM 10 C UNL d 1 22.678 -6.366 2.807 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 20.167 -4.232 -0.800 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 21.046 -3.717 -0.892 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 20.043 -4.678 -1.721 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2