REMARK VINA RESULT: -6.0 3.880 6.299 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 10.540 1.330 -7.329 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 10.094 3.575 -7.932 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 14.406 1.502 -8.974 0.00 0.00 0.103 C ATOM 4 C UNL d 1 12.260 2.609 -8.414 0.00 0.00 0.042 C ATOM 5 C UNL d 1 13.611 2.653 -8.884 0.00 0.00 0.057 C ATOM 6 C UNL d 1 13.781 0.287 -8.665 0.00 0.00 0.103 C ATOM 7 C UNL d 1 11.749 1.421 -7.896 0.00 0.00 0.075 C ATOM 8 C UNL d 1 12.506 0.280 -8.064 0.00 0.00 0.072 C ATOM 9 C UNL d 1 11.314 3.648 -8.497 0.00 0.00 0.142 C ATOM 10 C UNL d 1 9.778 2.431 -7.334 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 15.719 1.544 -9.416 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 16.384 2.811 -9.243 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 16.898 3.471 -10.537 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 16.046 3.578 -11.820 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 14.826 4.416 -11.834 0.00 0.00 0.092 N ATOM 16 C UNL d 1 14.287 4.640 -13.193 0.00 0.00 0.298 C ATOM 17 C UNL d 1 15.238 5.432 -14.103 0.00 0.00 0.198 C ATOM 18 O UNL d 1 15.554 6.714 -13.546 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 16.069 6.605 -12.211 0.00 0.00 0.198 C ATOM 20 C UNL d 1 15.127 5.786 -11.304 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 14.247 -0.985 -8.872 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 13.284 -2.020 -8.984 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 11.580 4.736 -9.351 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 11.735 5.597 -8.856 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 11.269 4.837 -10.715 0.00 0.00 0.035 A ATOM 26 C UNL d 1 11.356 6.057 -11.407 0.00 0.00 0.056 A ATOM 27 C UNL d 1 11.019 6.139 -12.760 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 11.156 7.649 -13.576 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 10.572 5.007 -13.425 0.00 0.00 0.138 A ATOM 30 F UNL d 1 10.254 5.057 -14.727 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 10.440 3.798 -12.750 0.00 0.00 0.046 A ATOM 32 C UNL d 1 10.778 3.716 -11.398 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8