REMARK VINA RESULT: 4.5 2.500 3.658 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 22.271 4.317 -10.512 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 21.381 3.856 -12.655 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 21.401 8.415 -10.871 0.00 0.00 0.103 C ATOM 4 C UNL d 1 21.317 6.114 -11.788 0.00 0.00 0.042 C ATOM 5 C UNL d 1 20.960 7.499 -11.836 0.00 0.00 0.057 C ATOM 6 C UNL d 1 22.288 7.924 -9.903 0.00 0.00 0.103 C ATOM 7 C UNL d 1 22.007 5.618 -10.684 0.00 0.00 0.075 C ATOM 8 C UNL d 1 22.507 6.536 -9.785 0.00 0.00 0.072 C ATOM 9 C UNL d 1 21.122 5.168 -12.812 0.00 0.00 0.142 C ATOM 10 C UNL d 1 21.904 3.483 -11.492 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 21.045 9.755 -10.906 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 22.119 10.667 -11.204 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 23.134 10.889 -10.065 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 24.431 11.707 -10.245 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 25.368 11.875 -9.111 0.00 0.00 0.092 N ATOM 16 C UNL d 1 26.153 13.126 -9.183 0.00 0.00 0.298 C ATOM 17 C UNL d 1 27.093 13.188 -10.397 0.00 0.00 0.198 C ATOM 18 O UNL d 1 28.020 12.094 -10.401 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 27.353 10.828 -10.314 0.00 0.00 0.198 C ATOM 20 C UNL d 1 26.388 10.775 -9.111 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 23.029 8.630 -8.994 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 22.340 9.201 -7.895 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 20.812 5.628 -14.106 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 20.461 6.570 -14.117 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 20.564 4.848 -15.245 0.00 0.00 0.035 A ATOM 26 C UNL d 1 21.065 5.199 -16.510 0.00 0.00 0.056 A ATOM 27 C UNL d 1 20.785 4.419 -17.634 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 21.433 4.875 -19.162 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 19.984 3.294 -17.506 0.00 0.00 0.138 A ATOM 30 F UNL d 1 19.711 2.522 -18.568 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 19.444 2.950 -16.271 0.00 0.00 0.046 A ATOM 32 C UNL d 1 19.725 3.729 -15.147 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8