REMARK VINA RESULT: -8.8 2.312 3.065 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 -3.330 -1.727 8.001 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -4.665 -3.458 8.907 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -1.163 -4.439 5.628 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -2.986 -3.981 7.245 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -2.283 -4.859 6.359 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -0.707 -3.138 5.877 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -2.645 -2.631 7.290 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -1.494 -2.246 6.634 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -3.964 -4.354 8.184 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -4.344 -2.179 8.749 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -0.490 -5.283 4.759 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 0.635 -5.979 5.328 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 1.962 -5.838 4.554 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 2.248 -4.669 3.587 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 3.411 -4.728 2.674 0.00 0.00 0.092 N ATOM 16 C UNL d 1 4.709 -4.745 3.382 0.00 0.00 0.298 C ATOM 17 C UNL d 1 4.984 -3.461 4.180 0.00 0.00 0.198 C ATOM 18 O UNL d 1 4.966 -2.302 3.336 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 3.748 -2.206 2.586 0.00 0.00 0.198 C ATOM 20 C UNL d 1 3.456 -3.505 1.807 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 0.466 -2.557 5.475 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 0.453 -1.159 5.239 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -4.100 -5.716 8.514 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -3.912 -6.330 7.741 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -4.812 -6.258 9.594 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -4.183 -7.030 10.586 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -4.916 -7.579 11.639 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -4.104 -8.503 12.844 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -6.287 -7.381 11.698 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -7.012 -7.888 12.706 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -6.938 -6.655 10.705 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -6.204 -6.104 9.652 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8