REMARK VINA RESULT: -9.2 0.000 0.000 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 -3.045 -1.703 7.719 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -4.362 -3.340 8.807 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -0.937 -4.627 5.553 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -2.722 -4.017 7.162 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -2.042 -4.974 6.344 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -0.473 -3.310 5.673 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -2.377 -2.670 7.077 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -1.241 -2.350 6.364 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -3.680 -4.300 8.153 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -4.043 -2.082 8.527 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -0.286 -5.548 4.748 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 0.964 -6.040 5.267 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 0.855 -7.223 6.249 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 1.834 -8.417 6.238 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 3.097 -8.349 7.007 0.00 0.00 0.092 N ATOM 16 C UNL d 1 4.105 -7.456 6.397 0.00 0.00 0.298 C ATOM 17 C UNL d 1 4.586 -7.932 5.018 0.00 0.00 0.198 C ATOM 18 O UNL d 1 5.155 -9.247 5.083 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 4.256 -10.189 5.683 0.00 0.00 0.198 C ATOM 20 C UNL d 1 3.750 -9.698 7.056 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 0.692 -2.772 5.195 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 0.703 -1.381 4.921 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -3.811 -5.626 8.607 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -3.424 -6.302 7.970 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -4.713 -6.107 9.567 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -4.306 -6.957 10.609 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -5.226 -7.442 11.541 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -4.682 -8.466 12.813 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -6.565 -7.100 11.424 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -7.467 -7.542 12.312 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -6.998 -6.293 10.376 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -6.077 -5.807 9.446 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8