REMARK VINA RESULT: -5.1 2.529 3.483 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 13.450 45.398 25.190 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 14.068 46.202 24.146 0.00 0.00 0.065 C ATOM 3 C UNL d 1 15.598 45.975 24.164 0.00 0.00 0.079 C ATOM 4 C UNL d 1 15.737 45.213 25.425 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 14.487 44.911 25.943 0.00 0.00 0.110 A ATOM 6 C UNL d 1 13.718 47.667 24.425 0.00 0.00 0.046 C ATOM 7 C UNL d 1 13.462 45.764 22.810 0.00 0.00 0.046 C ATOM 8 C UNL d 1 16.893 44.776 26.050 0.00 0.00 0.010 A ATOM 9 C UNL d 1 14.349 44.173 27.106 0.00 0.00 0.114 A ATOM 10 C UNL d 1 16.770 44.017 27.215 0.00 0.00 0.003 A ATOM 11 C UNL d 1 15.504 43.705 27.738 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 13.042 43.873 27.542 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 12.790 42.822 28.416 0.00 0.00 0.365 C ATOM 14 O UNL d 1 12.831 41.627 28.145 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 12.468 43.225 29.683 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 12.428 44.574 30.187 0.00 0.00 0.151 C ATOM 17 H UNL d 1 12.271 42.458 30.312 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2