REMARK VINA RESULT: -5.9 3.850 6.799 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 10.404 -10.514 7.628 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 11.531 -12.408 6.766 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 7.136 -12.846 8.880 0.00 0.00 0.103 C ATOM 4 C UNL d 1 9.387 -12.679 7.855 0.00 0.00 0.042 C ATOM 5 C UNL d 1 8.296 -13.447 8.373 0.00 0.00 0.057 C ATOM 6 C UNL d 1 7.058 -11.451 8.772 0.00 0.00 0.103 C ATOM 7 C UNL d 1 9.371 -11.291 7.978 0.00 0.00 0.075 C ATOM 8 C UNL d 1 8.196 -10.706 8.400 0.00 0.00 0.072 C ATOM 9 C UNL d 1 10.482 -13.174 7.125 0.00 0.00 0.142 C ATOM 10 C UNL d 1 11.462 -11.118 7.073 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 6.084 -13.587 9.396 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 5.101 -14.010 8.432 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 4.473 -15.394 8.688 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 5.170 -16.716 8.301 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 6.123 -16.750 7.168 0.00 0.00 0.092 N ATOM 16 C UNL d 1 5.474 -16.552 5.854 0.00 0.00 0.298 C ATOM 17 C UNL d 1 4.488 -17.671 5.487 0.00 0.00 0.198 C ATOM 18 O UNL d 1 5.130 -18.953 5.464 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 5.810 -19.232 6.696 0.00 0.00 0.198 C ATOM 20 C UNL d 1 6.780 -18.095 7.079 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 5.973 -10.642 8.982 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 5.967 -9.381 8.333 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 10.407 -14.477 6.594 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 11.024 -15.126 7.051 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 9.917 -14.850 5.334 0.00 0.00 0.035 A ATOM 26 C UNL d 1 9.243 -16.066 5.129 0.00 0.00 0.056 A ATOM 27 C UNL d 1 8.784 -16.427 3.861 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 7.948 -17.918 3.657 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 9.015 -15.586 2.783 0.00 0.00 0.138 A ATOM 30 F UNL d 1 8.574 -15.904 1.557 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 9.715 -14.396 2.954 0.00 0.00 0.046 A ATOM 32 C UNL d 1 10.173 -14.034 4.223 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8