REMARK VINA RESULT: -6.3 0.901 1.227 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 34.919 0.675 -41.082 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 34.655 -0.766 -42.940 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 31.687 3.075 -42.296 0.00 0.00 0.103 C ATOM 4 C UNL d 1 33.129 1.085 -42.629 0.00 0.00 0.042 C ATOM 5 C UNL d 1 31.982 1.876 -42.961 0.00 0.00 0.057 C ATOM 6 C UNL d 1 32.622 3.509 -41.348 0.00 0.00 0.103 C ATOM 7 C UNL d 1 33.906 1.429 -41.525 0.00 0.00 0.075 C ATOM 8 C UNL d 1 33.659 2.649 -40.931 0.00 0.00 0.072 C ATOM 9 C UNL d 1 33.638 0.005 -43.372 0.00 0.00 0.142 C ATOM 10 C UNL d 1 35.222 -0.420 -41.790 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 30.569 3.835 -42.605 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 30.844 5.184 -43.028 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 30.175 6.290 -42.187 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 30.072 7.756 -42.661 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 29.028 8.151 -43.633 0.00 0.00 0.092 N ATOM 16 C UNL d 1 29.442 9.265 -44.514 0.00 0.00 0.298 C ATOM 17 C UNL d 1 29.698 10.577 -43.756 0.00 0.00 0.198 C ATOM 18 O UNL d 1 28.535 11.004 -43.035 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 28.041 9.979 -42.162 0.00 0.00 0.198 C ATOM 20 C UNL d 1 27.810 8.653 -42.916 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 32.695 4.725 -40.721 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 33.980 5.182 -40.335 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 33.189 -0.177 -44.694 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 32.315 -0.670 -44.750 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 33.960 -0.123 -45.864 0.00 0.00 0.035 A ATOM 26 C UNL d 1 33.574 -0.789 -47.040 0.00 0.00 0.056 A ATOM 27 C UNL d 1 34.369 -0.739 -48.186 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 33.851 -1.554 -49.612 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 35.568 -0.043 -48.160 0.00 0.00 0.138 A ATOM 30 F UNL d 1 36.344 0.030 -49.251 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 35.991 0.590 -46.995 0.00 0.00 0.046 A ATOM 32 C UNL d 1 35.195 0.542 -45.849 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8