REMARK VINA RESULT: -5.7 3.135 6.134 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 12.505 -11.870 8.578 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 10.862 -11.256 6.990 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 11.565 -15.950 8.194 0.00 0.00 0.103 C ATOM 4 C UNL d 1 11.216 -13.592 7.511 0.00 0.00 0.042 C ATOM 5 C UNL d 1 10.986 -14.995 7.346 0.00 0.00 0.057 C ATOM 6 C UNL d 1 12.311 -15.456 9.272 0.00 0.00 0.103 C ATOM 7 C UNL d 1 12.148 -13.153 8.449 0.00 0.00 0.075 C ATOM 8 C UNL d 1 12.648 -14.088 9.331 0.00 0.00 0.072 C ATOM 9 C UNL d 1 10.516 -12.553 6.872 0.00 0.00 0.142 C ATOM 10 C UNL d 1 11.872 -10.978 7.807 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 11.355 -17.310 8.027 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 10.829 -17.696 6.743 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 10.256 -19.125 6.664 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 8.970 -19.555 7.403 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 8.412 -18.705 8.479 0.00 0.00 0.092 N ATOM 16 C UNL d 1 7.996 -19.473 9.673 0.00 0.00 0.298 C ATOM 17 C UNL d 1 6.844 -20.451 9.396 0.00 0.00 0.198 C ATOM 18 O UNL d 1 5.686 -19.773 8.892 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 5.992 -18.979 7.738 0.00 0.00 0.198 C ATOM 20 C UNL d 1 7.167 -18.016 8.006 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 12.795 -16.140 10.355 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 14.168 -16.490 10.343 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 9.303 -12.854 6.224 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 8.505 -12.423 6.659 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 9.048 -13.931 5.362 0.00 0.00 0.035 A ATOM 26 C UNL d 1 9.580 -13.984 4.063 0.00 0.00 0.056 A ATOM 27 C UNL d 1 9.294 -15.056 3.214 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 9.981 -15.092 1.636 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 8.455 -16.071 3.650 0.00 0.00 0.138 A ATOM 30 F UNL d 1 8.174 -17.116 2.858 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 7.884 -16.018 4.917 0.00 0.00 0.046 A ATOM 32 C UNL d 1 8.171 -14.948 5.766 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8