REMARK VINA RESULT: -4.8 3.195 4.201 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 -15.331 22.771 -27.720 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -15.214 20.746 -28.822 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -15.532 21.559 -27.741 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -15.149 19.738 -28.697 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -16.139 20.873 -26.570 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -17.267 21.396 -25.938 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -17.761 20.720 -24.839 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -17.216 19.587 -24.351 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -16.114 19.113 -24.976 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -15.539 19.716 -26.078 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -14.608 21.316 -29.960 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -15.299 21.320 -30.716 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -14.464 22.316 -29.751 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2