REMARK VINA RESULT: -6.0 3.626 5.642 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 10.214 -10.571 7.683 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 11.559 -12.256 6.708 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 7.311 -13.370 8.875 0.00 0.00 0.103 C ATOM 4 C UNL d 1 9.496 -12.859 7.820 0.00 0.00 0.042 C ATOM 5 C UNL d 1 8.528 -13.789 8.318 0.00 0.00 0.057 C ATOM 6 C UNL d 1 7.048 -11.994 8.837 0.00 0.00 0.103 C ATOM 7 C UNL d 1 9.301 -11.493 8.012 0.00 0.00 0.075 C ATOM 8 C UNL d 1 8.069 -11.089 8.483 0.00 0.00 0.072 C ATOM 9 C UNL d 1 10.629 -13.171 7.047 0.00 0.00 0.142 C ATOM 10 C UNL d 1 11.329 -11.002 7.081 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 6.379 -14.268 9.371 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 6.042 -15.353 8.486 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 6.324 -16.767 9.033 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 7.284 -17.758 8.340 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 8.180 -18.614 9.149 0.00 0.00 0.092 N ATOM 16 C UNL d 1 9.338 -17.882 9.708 0.00 0.00 0.298 C ATOM 17 C UNL d 1 10.289 -17.336 8.633 0.00 0.00 0.198 C ATOM 18 O UNL d 1 10.801 -18.384 7.799 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 9.749 -19.169 7.222 0.00 0.00 0.198 C ATOM 20 C UNL d 1 8.776 -19.695 8.299 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 5.872 -11.346 9.106 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 5.773 -9.988 8.714 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 10.712 -14.445 6.453 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 11.500 -14.980 6.775 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 10.112 -14.861 5.256 0.00 0.00 0.035 A ATOM 26 C UNL d 1 9.497 -16.118 5.131 0.00 0.00 0.056 A ATOM 27 C UNL d 1 8.926 -16.521 3.922 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 8.166 -18.062 3.817 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 8.985 -15.679 2.822 0.00 0.00 0.138 A ATOM 30 F UNL d 1 8.433 -16.037 1.653 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 9.624 -14.447 2.910 0.00 0.00 0.046 A ATOM 32 C UNL d 1 10.194 -14.043 4.120 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8