REMARK VINA RESULT: 4.4 4.420 8.599 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 21.940 3.102 -11.678 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 22.197 5.275 -10.776 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 20.388 4.621 -15.279 0.00 0.00 0.103 C ATOM 4 C UNL d 1 21.354 5.001 -13.027 0.00 0.00 0.042 C ATOM 5 C UNL d 1 20.904 5.481 -14.298 0.00 0.00 0.057 C ATOM 6 C UNL d 1 20.250 3.275 -14.917 0.00 0.00 0.103 C ATOM 7 C UNL d 1 21.419 3.629 -12.792 0.00 0.00 0.075 C ATOM 8 C UNL d 1 20.834 2.799 -13.725 0.00 0.00 0.072 C ATOM 9 C UNL d 1 21.671 5.788 -11.905 0.00 0.00 0.142 C ATOM 10 C UNL d 1 22.348 3.956 -10.731 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 19.964 5.082 -16.515 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 19.717 4.059 -17.499 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 20.897 3.747 -18.441 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 21.827 4.840 -19.011 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 21.529 5.459 -20.322 0.00 0.00 0.092 N ATOM 16 C UNL d 1 22.176 6.777 -20.505 0.00 0.00 0.298 C ATOM 17 C UNL d 1 21.676 7.843 -19.518 0.00 0.00 0.198 C ATOM 18 O UNL d 1 20.259 8.037 -19.624 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 19.539 6.805 -19.479 0.00 0.00 0.198 C ATOM 20 C UNL d 1 20.059 5.725 -20.451 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 19.588 2.279 -15.585 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 18.172 2.344 -15.614 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 21.263 7.135 -11.888 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 20.958 7.468 -12.786 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 21.595 8.108 -10.934 0.00 0.00 0.035 A ATOM 26 C UNL d 1 22.899 8.619 -10.818 0.00 0.00 0.056 A ATOM 27 C UNL d 1 23.213 9.571 -9.845 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 24.819 10.184 -9.749 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 22.231 10.003 -8.966 0.00 0.00 0.138 A ATOM 30 F UNL d 1 22.504 10.925 -8.032 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 20.943 9.480 -9.036 0.00 0.00 0.046 A ATOM 32 C UNL d 1 20.629 8.530 -10.010 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8