REMARK VINA RESULT: -4.2 2.831 5.419 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 19.067 -32.010 -0.442 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 20.163 -31.235 0.123 0.00 0.00 0.065 C ATOM 3 C UNL d 1 19.842 -29.728 -0.004 0.00 0.00 0.079 C ATOM 4 C UNL d 1 18.651 -29.784 -0.880 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 18.261 -31.100 -1.076 0.00 0.00 0.110 A ATOM 6 C UNL d 1 21.433 -31.602 -0.652 0.00 0.00 0.046 C ATOM 7 C UNL d 1 20.307 -31.648 1.590 0.00 0.00 0.046 C ATOM 8 C UNL d 1 17.932 -28.737 -1.431 0.00 0.00 0.010 A ATOM 9 C UNL d 1 17.148 -31.416 -1.836 0.00 0.00 0.114 A ATOM 10 C UNL d 1 16.797 -29.038 -2.188 0.00 0.00 0.003 A ATOM 11 C UNL d 1 16.397 -30.371 -2.382 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 16.795 -32.776 -1.951 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 15.888 -33.214 -2.908 0.00 0.00 0.365 C ATOM 14 O UNL d 1 14.674 -33.304 -2.770 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 16.469 -33.567 -4.095 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 17.863 -33.473 -4.448 0.00 0.00 0.151 C ATOM 17 H UNL d 1 15.808 -33.899 -4.785 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2