REMARK VINA RESULT: -6.1 2.918 5.252 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 -6.921 -3.457 0.688 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -8.223 -3.140 1.257 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -8.933 -2.100 0.360 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -7.823 -1.730 -0.545 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -6.724 -2.543 -0.314 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -7.987 -2.592 2.669 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -9.022 -4.444 1.329 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -7.802 -0.766 -1.540 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -5.564 -2.416 -1.059 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -6.644 -0.636 -2.311 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -5.532 -1.464 -2.082 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -4.509 -3.310 -0.789 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -4.566 -4.642 -1.180 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -4.787 -5.058 -2.311 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -4.351 -5.525 -0.157 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -4.025 -5.214 1.212 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -4.408 -6.494 -0.441 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2