REMARK VINA RESULT: -4.7 1.463 1.591 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 4.251 -7.753 -2.986 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 5.424 -7.218 -1.072 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 5.315 -7.680 -2.377 0.00 0.00 0.265 C ATOM 4 H UNL d 1 6.260 -7.423 -0.529 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 6.586 -8.102 -3.023 0.00 0.00 0.036 A ATOM 6 C UNL d 1 7.176 -7.325 -4.020 0.00 0.00 0.036 A ATOM 7 C UNL d 1 8.342 -7.793 -4.595 0.00 0.00 0.117 A ATOM 8 N UNL d 1 8.938 -8.951 -4.243 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 8.333 -9.689 -3.285 0.00 0.00 0.117 A ATOM 10 C UNL d 1 7.164 -9.314 -2.652 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 4.260 -6.826 -0.379 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 3.453 -7.216 -0.874 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 4.265 -7.330 0.521 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2