REMARK VINA RESULT: -4.7 2.045 2.202 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 13.516 43.121 25.314 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 13.603 41.773 24.770 0.00 0.00 0.065 C ATOM 3 C UNL d 1 15.001 41.188 25.076 0.00 0.00 0.079 C ATOM 4 C UNL d 1 15.690 42.398 25.577 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 14.791 43.446 25.698 0.00 0.00 0.110 A ATOM 6 C UNL d 1 13.354 41.868 23.261 0.00 0.00 0.046 C ATOM 7 C UNL d 1 12.501 40.941 25.431 0.00 0.00 0.046 C ATOM 8 C UNL d 1 17.017 42.549 25.946 0.00 0.00 0.010 A ATOM 9 C UNL d 1 15.186 44.682 26.181 0.00 0.00 0.114 A ATOM 10 C UNL d 1 17.427 43.785 26.449 0.00 0.00 0.003 A ATOM 11 C UNL d 1 16.516 44.846 26.578 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 14.201 45.681 26.313 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 13.862 46.513 25.253 0.00 0.00 0.365 C ATOM 14 O UNL d 1 14.246 46.406 24.094 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 13.018 47.532 25.602 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 12.428 47.775 26.894 0.00 0.00 0.151 C ATOM 17 H UNL d 1 12.784 48.145 24.831 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2