REMARK VINA RESULT: -3.1 1.660 3.501 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_2 and C_12 REMARK 2 A between atoms: O_2 and C_15 REMARK I between atoms: N_4 and C_15 ROOT ATOM 1 O UNL d 1 -4.897 -15.197 4.562 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -4.875 -14.590 5.885 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -3.428 -14.609 6.430 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -2.776 -15.475 5.424 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -3.659 -15.759 4.393 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -5.819 -15.400 6.780 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -5.392 -13.157 5.741 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -1.474 -15.945 5.399 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -3.275 -16.529 3.308 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -1.067 -16.711 4.304 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -1.958 -16.993 3.255 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -4.218 -16.734 2.281 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -5.068 -15.718 1.860 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -4.758 -14.749 1.177 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -6.360 -15.870 2.284 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -6.908 -16.967 3.041 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -6.973 -15.122 1.989 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2