REMARK VINA RESULT: -5.0 2.889 5.320 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 -2.914 0.204 8.740 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -4.170 0.680 9.302 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -3.946 1.101 10.772 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -2.578 0.580 10.991 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -2.053 0.100 9.802 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -5.185 -0.463 9.197 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -4.630 1.867 8.452 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -1.831 0.572 12.157 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -0.768 -0.413 9.737 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -0.528 0.072 12.105 0.00 0.00 0.003 A ATOM 11 C UNL d 1 0.009 -0.409 10.898 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -0.294 -0.841 8.481 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 0.381 0.022 7.625 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -0.128 0.864 6.894 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 1.740 -0.135 7.645 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 2.504 -1.029 8.477 0.00 0.00 0.151 C ATOM 17 H UNL d 1 2.227 0.484 7.011 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2