REMARK VINA RESULT: -5.1 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 5.453 -7.033 -3.195 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 7.299 -6.383 -1.970 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 6.651 -7.136 -2.941 0.00 0.00 0.265 C ATOM 4 H UNL d 1 8.205 -6.683 -1.616 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 7.499 -8.109 -3.679 0.00 0.00 0.036 A ATOM 6 C UNL d 1 8.023 -7.797 -4.934 0.00 0.00 0.036 A ATOM 7 C UNL d 1 8.779 -8.760 -5.573 0.00 0.00 0.117 A ATOM 8 N UNL d 1 9.040 -9.976 -5.050 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 8.506 -10.254 -3.839 0.00 0.00 0.117 A ATOM 10 C UNL d 1 7.731 -9.364 -3.120 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 6.558 -5.458 -1.206 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 6.878 -5.524 -0.235 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 6.860 -4.517 -1.502 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2