REMARK VINA RESULT: -4.6 1.707 3.184 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 8.300 -16.034 5.640 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 7.829 -17.293 5.079 0.00 0.00 0.065 C ATOM 3 C UNL d 1 8.576 -18.465 5.756 0.00 0.00 0.079 C ATOM 4 C UNL d 1 9.616 -17.721 6.501 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 9.393 -16.357 6.402 0.00 0.00 0.110 A ATOM 6 C UNL d 1 8.099 -17.255 3.571 0.00 0.00 0.046 C ATOM 7 C UNL d 1 6.323 -17.374 5.340 0.00 0.00 0.046 C ATOM 8 C UNL d 1 10.666 -18.220 7.254 0.00 0.00 0.010 A ATOM 9 C UNL d 1 10.215 -15.444 7.042 0.00 0.00 0.114 A ATOM 10 C UNL d 1 11.494 -17.313 7.918 0.00 0.00 0.003 A ATOM 11 C UNL d 1 11.265 -15.930 7.824 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 9.893 -14.077 6.926 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 10.460 -13.277 5.941 0.00 0.00 0.365 C ATOM 14 O UNL d 1 10.344 -13.425 4.730 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 11.210 -12.245 6.434 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 11.408 -11.891 7.817 0.00 0.00 0.151 C ATOM 17 H UNL d 1 11.633 -11.674 5.714 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2