REMARK VINA RESULT: -6.2 2.814 4.477 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 -17.668 21.261 -26.653 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -18.438 20.770 -25.519 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -17.606 20.936 -24.226 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -16.293 21.302 -24.802 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -16.403 21.481 -26.172 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -18.765 19.297 -25.787 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -19.729 21.589 -25.453 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -15.089 21.508 -24.150 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -15.315 21.861 -26.939 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -13.985 21.906 -24.907 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -14.097 22.095 -26.295 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -15.522 22.064 -28.318 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -14.779 21.381 -29.273 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -13.590 21.542 -29.520 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -15.503 20.455 -29.975 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -16.885 20.098 -29.781 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -14.963 19.970 -30.679 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2