REMARK VINA RESULT: -4.3 3.921 5.439 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 -1.349 -17.851 2.846 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -0.641 -18.608 4.973 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -4.167 -15.237 4.551 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -2.345 -16.898 4.813 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -3.254 -15.935 5.355 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -4.208 -15.597 3.198 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -2.255 -17.060 3.432 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -3.210 -16.434 2.658 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -1.559 -17.806 5.546 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -0.547 -18.562 3.649 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -5.039 -14.293 5.072 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -5.466 -14.534 6.426 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -5.299 -13.345 7.394 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -3.941 -12.658 7.653 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -3.775 -11.213 7.376 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -3.871 -10.879 5.939 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -2.752 -11.506 5.092 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -1.455 -11.097 5.547 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -1.271 -11.361 6.944 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -2.409 -10.756 7.792 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 -5.133 -15.242 2.252 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -6.484 -15.594 2.497 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -1.860 -18.015 6.906 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -1.067 -17.888 7.510 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -2.947 -18.728 7.432 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -3.264 -20.026 6.997 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -4.365 -20.709 7.519 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -4.709 -22.305 6.972 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -5.171 -20.090 8.463 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -6.227 -20.729 8.988 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -4.900 -18.790 8.878 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -3.798 -18.109 8.358 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8