REMARK VINA RESULT: -1.7 1.705 3.168 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 -3.217 -14.692 5.137 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -1.976 -14.175 5.696 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -1.153 -15.346 6.281 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -2.153 -16.434 6.210 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -3.287 -16.000 5.542 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -2.347 -13.157 6.779 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -1.218 -13.480 4.562 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -2.048 -17.738 6.666 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -4.359 -16.847 5.317 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -3.114 -18.609 6.433 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -4.262 -18.172 5.750 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -5.457 -16.340 4.593 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -5.936 -16.978 3.455 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -6.852 -17.790 3.410 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -5.278 -16.627 2.308 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -4.223 -15.655 2.169 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -5.619 -17.104 1.485 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2