REMARK VINA RESULT: -8.2 4.026 7.396 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 -4.767 -2.698 6.237 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -6.915 -2.807 7.224 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -6.366 -1.506 2.536 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -6.686 -2.102 4.921 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -7.182 -1.612 3.671 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -5.057 -1.990 2.660 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -5.323 -2.354 5.069 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -4.546 -2.327 3.930 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -7.458 -2.460 6.041 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -5.589 -2.868 7.280 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -6.841 -1.018 1.328 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -7.855 -1.824 0.697 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -7.452 -2.462 -0.647 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -6.168 -3.301 -0.826 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -5.482 -3.339 -2.137 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -5.401 -4.698 -2.714 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -4.556 -5.668 -1.874 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -3.216 -5.188 -1.705 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -3.187 -3.860 -1.166 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -4.058 -2.892 -1.994 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 -4.134 -2.206 1.673 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -2.785 -1.875 1.959 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -8.845 -2.634 5.877 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -9.379 -1.822 6.137 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -9.542 -3.848 5.796 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -9.129 -4.990 6.501 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -9.825 -6.195 6.387 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -9.295 -7.567 7.283 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -10.927 -6.274 5.549 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -11.619 -7.416 5.431 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -11.330 -5.167 4.809 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -10.635 -3.962 4.924 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8