REMARK VINA RESULT: -5.6 1.239 1.357 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 1.531 2.862 2.560 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 3.653 2.045 3.216 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 1.856 6.183 5.118 0.00 0.00 0.103 C ATOM 4 C UNL d 1 2.830 4.125 4.137 0.00 0.00 0.042 C ATOM 5 C UNL d 1 2.939 5.312 4.929 0.00 0.00 0.057 C ATOM 6 C UNL d 1 0.631 5.785 4.566 0.00 0.00 0.103 C ATOM 7 C UNL d 1 1.664 3.884 3.414 0.00 0.00 0.075 C ATOM 8 C UNL d 1 0.580 4.698 3.670 0.00 0.00 0.072 C ATOM 9 C UNL d 1 3.769 3.080 4.070 0.00 0.00 0.142 C ATOM 10 C UNL d 1 2.557 2.006 2.466 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 1.963 7.341 5.873 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 0.847 7.612 6.742 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 0.767 6.737 8.009 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -0.430 6.780 8.984 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -0.232 7.214 10.385 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -1.476 7.680 11.034 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -2.069 8.939 10.382 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -1.137 10.029 10.399 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 0.118 9.668 9.806 0.00 0.00 0.198 C ATOM 20 C UNL d 1 0.700 8.388 10.441 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 -0.610 6.323 4.777 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -1.664 5.426 5.083 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 4.779 3.016 5.048 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 4.538 3.496 5.898 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 6.139 2.738 4.844 0.00 0.00 0.035 A ATOM 26 C UNL d 1 6.729 2.812 3.571 0.00 0.00 0.056 A ATOM 27 C UNL d 1 8.080 2.509 3.388 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 8.768 2.629 1.814 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 8.846 2.109 4.472 0.00 0.00 0.138 A ATOM 30 F UNL d 1 10.148 1.824 4.325 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 8.273 1.989 5.735 0.00 0.00 0.046 A ATOM 32 C UNL d 1 6.923 2.294 5.918 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8