REMARK VINA RESULT: -4.5 3.113 5.339 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 21.106 -29.528 0.180 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 22.602 -31.345 0.426 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 18.079 -32.033 -1.319 0.00 0.00 0.103 C ATOM 4 C UNL d 1 20.356 -31.739 -0.384 0.00 0.00 0.042 C ATOM 5 C UNL d 1 19.273 -32.569 -0.817 0.00 0.00 0.057 C ATOM 6 C UNL d 1 18.032 -30.640 -1.463 0.00 0.00 0.103 C ATOM 7 C UNL d 1 20.184 -30.358 -0.325 0.00 0.00 0.075 C ATOM 8 C UNL d 1 19.043 -29.837 -0.897 0.00 0.00 0.072 C ATOM 9 C UNL d 1 21.663 -32.166 -0.083 0.00 0.00 0.142 C ATOM 10 C UNL d 1 22.264 -30.069 0.576 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 17.023 -32.834 -1.725 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 17.395 -34.009 -2.469 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 17.167 -33.929 -3.992 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 17.117 -32.593 -4.763 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 18.073 -32.333 -5.863 0.00 0.00 0.092 N ATOM 16 C UNL d 1 19.470 -32.187 -5.398 0.00 0.00 0.298 C ATOM 17 C UNL d 1 19.684 -30.972 -4.482 0.00 0.00 0.198 C ATOM 18 O UNL d 1 19.315 -29.750 -5.134 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 17.974 -29.798 -5.641 0.00 0.00 0.198 C ATOM 20 C UNL d 1 17.750 -31.033 -6.538 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 17.096 -29.884 -2.116 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 17.264 -28.477 -2.093 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 22.064 -33.452 -0.491 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 22.124 -34.107 0.270 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 22.737 -33.794 -1.673 0.00 0.00 0.035 A ATOM 26 C UNL d 1 22.049 -34.223 -2.821 0.00 0.00 0.056 A ATOM 27 C UNL d 1 22.741 -34.581 -3.980 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 21.859 -35.083 -5.371 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 24.127 -34.534 -3.993 0.00 0.00 0.138 A ATOM 30 F UNL d 1 24.814 -34.861 -5.098 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 24.830 -34.152 -2.855 0.00 0.00 0.046 A ATOM 32 C UNL d 1 24.138 -33.793 -1.697 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8