REMARK VINA RESULT: 4.4 2.987 4.664 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 20.220 2.081 -19.339 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 20.457 4.145 -20.471 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 19.717 4.003 -15.632 0.00 0.00 0.103 C ATOM 4 C UNL d 1 20.033 4.123 -18.089 0.00 0.00 0.042 C ATOM 5 C UNL d 1 19.773 4.741 -16.824 0.00 0.00 0.057 C ATOM 6 C UNL d 1 20.021 2.638 -15.729 0.00 0.00 0.103 C ATOM 7 C UNL d 1 20.099 2.735 -18.177 0.00 0.00 0.075 C ATOM 8 C UNL d 1 20.127 2.025 -16.994 0.00 0.00 0.072 C ATOM 9 C UNL d 1 20.333 4.787 -19.292 0.00 0.00 0.142 C ATOM 10 C UNL d 1 20.350 2.822 -20.446 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 19.450 4.596 -14.408 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 20.611 4.977 -13.646 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 20.385 5.134 -12.129 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 21.158 6.156 -11.267 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 21.696 7.391 -11.882 0.00 0.00 0.092 N ATOM 16 C UNL d 1 23.153 7.553 -11.686 0.00 0.00 0.298 C ATOM 17 C UNL d 1 23.555 7.718 -10.213 0.00 0.00 0.198 C ATOM 18 O UNL d 1 22.909 8.849 -9.614 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 21.485 8.795 -9.769 0.00 0.00 0.198 C ATOM 20 C UNL d 1 21.081 8.601 -11.246 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 20.250 1.745 -14.717 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 21.579 1.634 -14.235 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 20.692 6.147 -19.243 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 21.586 6.305 -18.809 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 19.835 7.253 -19.343 0.00 0.00 0.035 A ATOM 26 C UNL d 1 19.811 8.265 -18.369 0.00 0.00 0.056 A ATOM 27 C UNL d 1 18.933 9.345 -18.478 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 18.947 10.573 -17.271 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 18.056 9.411 -19.550 0.00 0.00 0.138 A ATOM 30 F UNL d 1 17.211 10.443 -19.684 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 18.034 8.399 -20.506 0.00 0.00 0.046 A ATOM 32 C UNL d 1 18.913 7.320 -20.397 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8