REMARK VINA RESULT: -7.7 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 2.189 5.170 2.425 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 4.345 4.321 2.904 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 1.645 6.440 6.397 0.00 0.00 0.103 C ATOM 4 C UNL d 1 3.070 5.413 4.646 0.00 0.00 0.042 C ATOM 5 C UNL d 1 2.881 5.937 5.965 0.00 0.00 0.057 C ATOM 6 C UNL d 1 0.575 6.321 5.499 0.00 0.00 0.103 C ATOM 7 C UNL d 1 2.047 5.526 3.708 0.00 0.00 0.075 C ATOM 8 C UNL d 1 0.813 5.944 4.162 0.00 0.00 0.072 C ATOM 9 C UNL d 1 4.184 4.686 4.191 0.00 0.00 0.142 C ATOM 10 C UNL d 1 3.356 4.619 2.069 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 1.463 6.961 7.668 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 1.362 5.984 8.722 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -0.020 5.877 9.396 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -0.949 7.093 9.602 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -0.861 7.894 10.845 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -2.009 8.806 11.033 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -2.110 9.891 9.950 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -0.923 10.694 9.897 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 0.256 9.894 9.734 0.00 0.00 0.198 C ATOM 20 C UNL d 1 0.344 8.786 10.805 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 -0.758 6.525 5.735 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -1.678 5.771 4.965 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 5.084 4.165 5.141 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 5.005 4.602 6.042 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 6.266 3.454 4.885 0.00 0.00 0.035 A ATOM 26 C UNL d 1 6.908 3.504 3.636 0.00 0.00 0.056 A ATOM 27 C UNL d 1 8.071 2.770 3.397 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 8.836 2.873 1.858 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 8.590 1.962 4.398 0.00 0.00 0.138 A ATOM 30 F UNL d 1 9.713 1.257 4.198 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 7.949 1.865 5.629 0.00 0.00 0.046 A ATOM 32 C UNL d 1 6.787 2.601 5.869 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8