REMARK VINA RESULT: -6.4 0.000 0.000 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 11.712 3.991 -7.691 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 11.191 1.723 -8.122 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 14.780 3.987 -10.566 0.00 0.00 0.103 C ATOM 4 C UNL d 1 12.933 2.819 -9.395 0.00 0.00 0.042 C ATOM 5 C UNL d 1 13.926 2.884 -10.424 0.00 0.00 0.057 C ATOM 6 C UNL d 1 14.673 4.988 -9.592 0.00 0.00 0.103 C ATOM 7 C UNL d 1 12.701 3.933 -8.591 0.00 0.00 0.075 C ATOM 8 C UNL d 1 13.596 4.978 -8.682 0.00 0.00 0.072 C ATOM 9 C UNL d 1 12.191 1.683 -9.025 0.00 0.00 0.142 C ATOM 10 C UNL d 1 10.968 2.890 -7.527 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 15.732 4.059 -11.571 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 15.208 4.098 -12.911 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 14.311 5.309 -13.237 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 12.779 5.200 -13.396 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 11.885 6.058 -12.586 0.00 0.00 0.092 N ATOM 16 C UNL d 1 11.277 5.350 -11.439 0.00 0.00 0.298 C ATOM 17 C UNL d 1 10.343 4.204 -11.856 0.00 0.00 0.198 C ATOM 18 O UNL d 1 9.275 4.672 -12.691 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 9.765 5.395 -13.829 0.00 0.00 0.198 C ATOM 20 C UNL d 1 10.725 6.528 -13.413 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 15.511 6.048 -9.367 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 15.223 7.261 -10.042 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 12.617 0.420 -9.479 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 12.154 0.127 -10.322 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 13.256 -0.578 -8.729 0.00 0.00 0.035 A ATOM 26 C UNL d 1 14.165 -0.268 -7.704 0.00 0.00 0.056 A ATOM 27 C UNL d 1 14.807 -1.279 -6.985 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 15.902 -0.856 -5.724 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 14.562 -2.607 -7.300 0.00 0.00 0.138 A ATOM 30 F UNL d 1 15.157 -3.595 -6.617 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 13.697 -2.936 -8.339 0.00 0.00 0.046 A ATOM 32 C UNL d 1 13.054 -1.926 -9.056 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8