REMARK VINA RESULT: -7.8 3.530 7.383 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 1 112.743 88.988 50.753 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 114.446 89.242 52.376 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 112.106 84.975 51.834 0.00 0.00 0.103 C ATOM 4 C UNL d 1 113.275 87.133 52.183 0.00 0.00 0.042 C ATOM 5 C UNL d 1 112.968 85.792 52.578 0.00 0.00 0.057 C ATOM 6 C UNL d 1 111.627 85.507 50.629 0.00 0.00 0.103 C ATOM 7 C UNL d 1 112.599 87.706 51.107 0.00 0.00 0.075 C ATOM 8 C UNL d 1 111.818 86.872 50.334 0.00 0.00 0.072 C ATOM 9 C UNL d 1 114.287 87.949 52.720 0.00 0.00 0.142 C ATOM 10 C UNL d 1 113.635 89.715 51.437 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 111.796 83.681 52.222 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 110.631 83.555 53.060 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 110.909 83.498 54.576 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 111.018 84.761 55.457 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 110.219 84.873 56.698 0.00 0.00 0.092 N ATOM 16 C UNL d 1 110.206 86.240 57.261 0.00 0.00 0.298 C ATOM 17 C UNL d 1 111.590 86.725 57.718 0.00 0.00 0.198 C ATOM 18 O UNL d 1 112.154 85.854 58.707 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 112.193 84.492 58.261 0.00 0.00 0.198 C ATOM 20 C UNL d 1 110.808 84.013 57.776 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 1 110.959 84.863 49.622 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 111.741 84.242 48.615 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 115.285 87.352 53.515 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 115.870 86.715 53.002 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 115.295 87.234 54.912 0.00 0.00 0.035 A ATOM 26 C UNL d 1 115.380 88.358 55.751 0.00 0.00 0.056 A ATOM 27 C UNL d 1 115.412 88.216 57.140 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 115.497 89.620 58.133 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 115.383 86.947 57.700 0.00 0.00 0.138 A ATOM 30 F UNL d 1 115.400 86.784 59.031 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 115.341 85.818 56.888 0.00 0.00 0.046 A ATOM 32 C UNL d 1 115.307 85.961 55.499 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8