REMARK VINA RESULT: -4.8 3.169 3.831 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 1.394 -5.923 5.272 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 0.544 -7.727 6.434 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 0.465 -6.460 5.870 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -0.138 -8.015 7.133 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -0.835 -5.757 6.034 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -1.821 -6.263 6.882 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -3.015 -5.572 6.965 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -3.273 -4.441 6.277 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -2.303 -3.985 5.453 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -1.078 -4.603 5.294 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 1.753 -8.447 6.347 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 1.547 -9.432 6.538 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 2.033 -8.441 5.354 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2