REMARK VINA RESULT: -6.6 2.780 5.924 REMARK 8 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_4 and C_16 REMARK 2 A between atoms: O_4 and C_17 REMARK 3 A between atoms: O_5 and C_20 REMARK 4 A between atoms: N_6 and C_10 REMARK 5 A between atoms: N_7 and C_23 REMARK 6 A between atoms: N_7 and C_24 REMARK 7 A between atoms: C_10 and C_13 REMARK 8 A between atoms: C_13 and C_16 ROOT ATOM 1 N UNL d 1 -2.976 17.598 -13.865 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -3.868 15.704 -12.762 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -2.769 15.549 -17.531 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -3.395 15.602 -15.132 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -3.389 14.968 -16.416 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -2.074 16.745 -17.306 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -2.896 16.896 -15.002 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -2.216 17.425 -16.079 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -3.781 15.013 -13.915 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -3.502 16.981 -12.800 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -2.775 14.944 -18.778 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -3.995 15.097 -19.528 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -4.828 13.812 -19.708 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -5.591 13.138 -18.548 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -7.050 13.342 -18.401 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -7.436 14.769 -18.345 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -6.876 15.505 -17.118 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -7.305 14.892 -15.895 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -6.991 13.493 -15.860 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -7.529 12.758 -17.105 0.00 0.00 0.298 C ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 3 11 BRANCH 6 21 ATOM 21 O UNL d 1 -1.215 17.400 -18.147 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 0.158 17.056 -18.073 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -3.913 13.612 -13.854 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -4.792 13.315 -13.467 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -2.881 12.663 -13.881 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -3.061 11.386 -14.440 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -2.026 10.449 -14.435 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -2.282 8.902 -15.148 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -0.810 10.772 -13.851 0.00 0.00 0.138 A ATOM 30 F UNL d 1 0.203 9.894 -13.844 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -0.623 12.015 -13.255 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -1.657 12.953 -13.261 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8