REMARK VINA RESULT: -3.4 2.851 3.470 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 7.536 -4.400 10.719 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 7.182 -5.823 8.936 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 6.833 -4.781 9.786 0.00 0.00 0.265 C ATOM 4 H UNL d 1 6.470 -6.271 8.363 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 5.525 -4.131 9.511 0.00 0.00 0.036 A ATOM 6 C UNL d 1 5.053 -3.994 8.205 0.00 0.00 0.036 A ATOM 7 C UNL d 1 3.841 -3.355 8.021 0.00 0.00 0.117 A ATOM 8 N UNL d 1 3.094 -2.865 9.032 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 3.585 -3.001 10.284 0.00 0.00 0.117 A ATOM 10 C UNL d 1 4.787 -3.617 10.574 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 8.395 -6.511 9.149 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 8.952 -5.966 9.813 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 8.162 -7.371 9.669 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2