REMARK VINA RESULT: -6.3 2.077 4.815 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 -15.739 21.414 -25.242 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -14.443 21.181 -25.864 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -14.644 20.895 -27.370 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -16.116 20.750 -27.418 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -16.669 21.069 -26.188 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -13.797 19.989 -25.150 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -13.599 22.440 -25.649 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -16.917 20.403 -28.493 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -18.038 21.043 -25.985 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -18.301 20.387 -28.309 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -18.864 20.716 -27.064 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -18.523 21.423 -24.717 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -18.933 20.480 -23.783 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -18.220 19.654 -23.224 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -20.272 20.527 -23.505 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -21.239 21.460 -24.023 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -20.570 19.830 -22.836 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2