REMARK VINA RESULT: -4.7 2.745 4.757 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 -3.003 -5.322 6.608 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -1.943 -4.663 5.858 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -1.687 -3.262 6.461 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -2.836 -3.158 7.387 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -3.527 -4.359 7.430 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -2.403 -4.567 4.399 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -0.696 -5.544 5.957 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -3.218 -2.085 8.175 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -4.629 -4.526 8.251 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -4.318 -2.244 9.020 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -5.016 -3.462 9.070 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -5.250 -5.792 8.268 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -4.562 -6.934 8.660 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -3.898 -7.666 7.936 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -4.681 -7.217 9.993 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -5.371 -6.442 10.993 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -4.192 -8.057 10.273 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2