REMARK VINA RESULT: -5.0 0.000 0.000 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 9.361 3.712 -11.434 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 10.849 1.976 -11.754 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 10.387 3.118 -11.111 0.00 0.00 0.265 C ATOM 4 H UNL d 1 11.815 1.681 -11.633 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 11.222 3.609 -9.984 0.00 0.00 0.036 A ATOM 6 C UNL d 1 12.314 4.447 -10.212 0.00 0.00 0.036 A ATOM 7 C UNL d 1 13.061 4.843 -9.120 0.00 0.00 0.117 A ATOM 8 N UNL d 1 12.791 4.467 -7.853 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 11.736 3.642 -7.666 0.00 0.00 0.117 A ATOM 10 C UNL d 1 10.929 3.185 -8.690 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 10.128 1.464 -12.853 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 9.760 0.546 -12.588 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 9.285 2.048 -12.955 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2