REMARK VINA RESULT: -8.0 3.083 6.341 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 -13.666 21.275 -32.005 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -12.398 21.577 -30.030 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -17.133 20.350 -29.814 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -14.750 21.029 -29.876 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -15.971 20.793 -29.167 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -17.015 20.059 -31.180 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -14.735 20.953 -31.267 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -15.855 20.437 -31.885 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -13.484 21.250 -29.303 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -12.550 21.617 -31.349 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -18.321 20.135 -29.133 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -18.271 20.395 -27.717 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -18.624 19.198 -26.811 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -19.921 19.131 -25.977 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -19.861 19.215 -24.500 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -21.103 18.759 -23.839 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -22.324 19.631 -24.167 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -22.111 20.999 -23.793 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -20.911 21.531 -24.372 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -19.689 20.640 -24.066 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 -17.912 19.419 -31.993 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -17.397 18.760 -33.137 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -13.298 20.950 -27.940 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -12.642 20.204 -27.786 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -14.161 21.262 -26.879 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -14.730 20.266 -26.067 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -15.604 20.598 -25.031 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -16.266 19.349 -24.048 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -15.935 21.928 -24.812 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -16.763 22.274 -23.816 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -15.415 22.927 -25.629 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -14.540 22.594 -26.664 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8