REMARK VINA RESULT: -4.4 2.042 3.532 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 8.194 -16.277 5.334 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 8.246 -17.257 4.258 0.00 0.00 0.065 C ATOM 3 C UNL d 1 9.346 -18.298 4.567 0.00 0.00 0.079 C ATOM 4 C UNL d 1 10.005 -17.651 5.723 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 9.297 -16.524 6.110 0.00 0.00 0.110 A ATOM 6 C UNL d 1 8.543 -16.499 2.959 0.00 0.00 0.046 C ATOM 7 C UNL d 1 6.868 -17.918 4.174 0.00 0.00 0.046 C ATOM 8 C UNL d 1 11.134 -18.057 6.415 0.00 0.00 0.010 A ATOM 9 C UNL d 1 9.695 -15.759 7.193 0.00 0.00 0.114 A ATOM 10 C UNL d 1 11.540 -17.305 7.520 0.00 0.00 0.003 A ATOM 11 C UNL d 1 10.818 -16.167 7.917 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 8.895 -14.655 7.547 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 8.617 -13.638 6.642 0.00 0.00 0.365 C ATOM 14 O UNL d 1 9.439 -12.966 6.030 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 7.279 -13.410 6.463 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 6.184 -14.136 7.054 0.00 0.00 0.151 C ATOM 17 H UNL d 1 7.080 -12.660 5.815 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2