REMARK VINA RESULT: -4.5 1.850 3.261 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 9.810 -14.726 4.788 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 9.173 -15.885 4.180 0.00 0.00 0.065 C ATOM 3 C UNL d 1 7.713 -15.985 4.679 0.00 0.00 0.079 C ATOM 4 C UNL d 1 7.730 -14.967 5.753 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 8.937 -14.287 5.750 0.00 0.00 0.110 A ATOM 6 C UNL d 1 9.986 -17.121 4.581 0.00 0.00 0.046 C ATOM 7 C UNL d 1 9.226 -15.694 2.663 0.00 0.00 0.046 C ATOM 8 C UNL d 1 6.724 -14.634 6.645 0.00 0.00 0.010 A ATOM 9 C UNL d 1 9.187 -13.259 6.642 0.00 0.00 0.114 A ATOM 10 C UNL d 1 6.956 -13.588 7.542 0.00 0.00 0.003 A ATOM 11 C UNL d 1 8.177 -12.893 7.535 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 10.424 -12.590 6.545 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 11.471 -12.864 7.416 0.00 0.00 0.365 C ATOM 14 O UNL d 1 11.732 -13.951 7.918 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 12.246 -11.775 7.706 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 12.119 -10.444 7.167 0.00 0.00 0.151 C ATOM 17 H UNL d 1 12.998 -11.974 8.352 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2