REMARK VINA RESULT: -5.2 2.771 3.912 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 12.226 1.307 -8.364 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 13.527 0.669 -8.506 0.00 0.00 0.065 C ATOM 3 C UNL d 1 14.374 1.457 -9.532 0.00 0.00 0.079 C ATOM 4 C UNL d 1 13.345 2.371 -10.077 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 12.163 2.241 -9.365 0.00 0.00 0.110 A ATOM 6 C UNL d 1 13.286 -0.772 -8.970 0.00 0.00 0.046 C ATOM 7 C UNL d 1 14.190 0.669 -7.126 0.00 0.00 0.046 C ATOM 8 C UNL d 1 13.462 3.288 -11.108 0.00 0.00 0.010 A ATOM 9 C UNL d 1 11.055 3.016 -9.662 0.00 0.00 0.114 A ATOM 10 C UNL d 1 12.357 4.088 -11.410 0.00 0.00 0.003 A ATOM 11 C UNL d 1 11.160 3.963 -10.684 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 9.906 2.853 -8.862 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 9.876 3.273 -7.538 0.00 0.00 0.365 C ATOM 14 O UNL d 1 10.118 4.402 -7.128 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 9.543 2.283 -6.654 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 9.177 0.923 -6.963 0.00 0.00 0.151 C ATOM 17 H UNL d 1 9.537 2.587 -5.690 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2