REMARK VINA RESULT: -6.2 2.977 4.265 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 -18.049 20.614 -26.632 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -18.750 20.156 -25.441 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -17.724 19.888 -24.315 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -16.461 19.995 -25.078 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -16.717 20.420 -26.372 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -19.513 18.881 -25.816 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -19.736 21.256 -25.039 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -15.165 19.775 -24.641 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -15.690 20.629 -27.278 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -14.118 19.997 -25.538 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -14.375 20.434 -26.849 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -16.032 21.103 -28.560 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -16.334 20.232 -29.601 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -17.292 19.470 -29.655 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -15.435 20.274 -30.632 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -14.292 21.142 -30.759 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -15.649 19.629 -31.380 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2