REMARK VINA RESULT: -6.0 3.185 5.635 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 11.892 40.089 24.319 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 10.898 40.114 26.466 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 15.370 41.975 25.745 0.00 0.00 0.103 C ATOM 4 C UNL d 1 13.133 40.991 26.167 0.00 0.00 0.042 C ATOM 5 C UNL d 1 14.366 41.552 26.629 0.00 0.00 0.057 C ATOM 6 C UNL d 1 15.068 41.903 24.379 0.00 0.00 0.103 C ATOM 7 C UNL d 1 12.965 40.721 24.811 0.00 0.00 0.075 C ATOM 8 C UNL d 1 13.918 41.213 23.944 0.00 0.00 0.072 C ATOM 9 C UNL d 1 11.986 40.750 26.944 0.00 0.00 0.142 C ATOM 10 C UNL d 1 10.919 39.773 25.182 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 16.570 42.505 26.190 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 16.456 43.705 26.978 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 16.382 45.020 26.176 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 15.055 45.606 25.646 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 13.772 45.241 26.289 0.00 0.00 0.092 N ATOM 16 C UNL d 1 12.810 44.614 25.356 0.00 0.00 0.298 C ATOM 17 C UNL d 1 12.357 45.552 24.227 0.00 0.00 0.198 C ATOM 18 O UNL d 1 11.747 46.743 24.744 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 12.599 47.417 25.680 0.00 0.00 0.198 C ATOM 20 C UNL d 1 13.078 46.468 26.798 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 15.761 42.439 23.326 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 15.093 43.401 22.528 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 11.893 41.347 28.215 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 11.809 40.678 28.961 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 11.516 42.667 28.505 0.00 0.00 0.035 A ATOM 26 C UNL d 1 12.176 43.430 29.484 0.00 0.00 0.056 A ATOM 27 C UNL d 1 11.769 44.734 29.772 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 12.616 45.641 30.966 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 10.685 45.278 29.100 0.00 0.00 0.138 A ATOM 30 F UNL d 1 10.281 46.532 29.349 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 9.991 44.527 28.156 0.00 0.00 0.046 A ATOM 32 C UNL d 1 10.399 43.223 27.867 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8