REMARK VINA RESULT: -7.0 1.423 1.880 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 2.782 -1.664 10.232 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 0.927 -2.355 8.936 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 1.024 2.074 11.021 0.00 0.00 0.103 C ATOM 4 C UNL d 1 0.907 -0.181 9.997 0.00 0.00 0.042 C ATOM 5 C UNL d 1 0.307 1.067 10.360 0.00 0.00 0.057 C ATOM 6 C UNL d 1 2.388 1.833 11.230 0.00 0.00 0.103 C ATOM 7 C UNL d 1 2.199 -0.475 10.428 0.00 0.00 0.075 C ATOM 8 C UNL d 1 2.923 0.548 11.003 0.00 0.00 0.072 C ATOM 9 C UNL d 1 0.355 -1.153 9.143 0.00 0.00 0.142 C ATOM 10 C UNL d 1 2.097 -2.572 9.526 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 0.441 3.277 11.387 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 0.411 3.538 12.803 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 0.757 4.982 13.218 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 1.877 5.803 12.542 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 1.722 6.261 11.143 0.00 0.00 0.092 N ATOM 16 C UNL d 1 3.003 6.637 10.507 0.00 0.00 0.298 C ATOM 17 C UNL d 1 3.683 7.843 11.172 0.00 0.00 0.198 C ATOM 18 O UNL d 1 2.836 8.999 11.158 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 1.553 8.730 11.739 0.00 0.00 0.198 C ATOM 20 C UNL d 1 0.882 7.502 11.090 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 3.352 2.713 11.646 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 4.477 2.174 12.321 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -0.744 -0.799 8.337 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -0.486 -0.239 7.543 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -2.096 -0.787 8.707 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -2.885 0.371 8.600 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -4.224 0.367 8.996 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -5.160 1.802 8.832 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -4.779 -0.789 9.524 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -6.066 -0.823 9.900 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -4.006 -1.936 9.677 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -2.668 -1.932 9.280 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8