REMARK VINA RESULT: 6.8 3.236 4.360 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 20.915 -8.186 2.794 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 23.046 -7.431 3.258 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 21.797 -7.342 2.658 0.00 0.00 0.265 C ATOM 4 H UNL d 1 23.818 -6.864 2.911 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 21.570 -6.142 1.809 0.00 0.00 0.036 A ATOM 6 C UNL d 1 22.641 -5.374 1.352 0.00 0.00 0.036 A ATOM 7 C UNL d 1 22.355 -4.258 0.591 0.00 0.00 0.117 A ATOM 8 N UNL d 1 21.102 -3.876 0.264 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 20.085 -4.633 0.734 0.00 0.00 0.117 A ATOM 10 C UNL d 1 20.264 -5.764 1.507 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 23.351 -8.554 4.055 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 22.527 -9.161 4.070 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 24.054 -9.103 3.539 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2