REMARK VINA RESULT: -4.3 2.511 3.833 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 -3.506 13.127 -15.183 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -4.212 14.175 -15.907 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -3.184 15.122 -16.566 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -1.936 14.643 -15.931 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -2.189 13.509 -15.175 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -5.092 14.920 -14.898 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -5.088 13.492 -16.961 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -0.653 15.150 -16.050 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -1.173 12.849 -14.504 0.00 0.00 0.114 A ATOM 10 C UNL d 1 0.385 14.487 -15.392 0.00 0.00 0.003 A ATOM 11 C UNL d 1 0.131 13.333 -14.631 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -1.507 11.679 -13.793 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -1.451 10.424 -14.389 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -2.312 9.919 -15.100 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -0.301 9.736 -14.114 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 0.831 10.195 -13.349 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -0.270 8.817 -14.536 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2