REMARK VINA RESULT: -3.7 0.106 1.496 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 -0.582 0.734 11.998 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -0.020 2.551 10.690 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -0.858 1.521 11.097 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -0.165 2.996 9.786 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -2.146 1.405 10.362 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -3.137 0.519 10.787 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -4.297 0.445 10.040 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -4.522 1.181 8.932 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -3.537 2.019 8.538 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -2.339 2.164 9.210 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 1.233 2.709 11.317 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 1.462 3.707 11.315 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 1.096 2.489 12.316 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2