REMARK VINA RESULT: -7.9 4.312 7.619 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 -8.870 -2.165 4.262 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -8.955 -1.668 1.950 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -4.697 -1.657 4.369 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -6.837 -1.593 3.118 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -5.430 -1.346 3.215 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -5.395 -2.310 5.394 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -7.539 -2.027 4.241 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -6.800 -2.409 5.341 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -7.614 -1.533 1.947 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -9.527 -1.936 3.118 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -3.338 -1.405 4.471 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -2.501 -2.201 3.611 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -1.896 -1.458 2.403 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -2.433 -1.618 0.965 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -1.569 -2.195 -0.091 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -0.553 -1.246 -0.596 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -1.158 -0.022 -1.299 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -1.981 -0.405 -2.408 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -2.993 -1.346 -2.023 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -2.389 -2.562 -1.292 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 -4.890 -2.911 6.516 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -5.684 -2.870 7.690 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -6.958 -1.506 0.702 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -7.036 -0.619 0.233 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -6.592 -2.607 -0.086 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -7.297 -2.953 -1.251 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -6.928 -4.067 -2.008 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -7.807 -4.447 -3.439 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -5.866 -4.857 -1.594 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -5.485 -5.925 -2.309 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -5.179 -4.557 -0.421 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -5.547 -3.442 0.334 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8