REMARK VINA RESULT: -5.4 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 37.467 4.522 27.385 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 38.858 6.006 28.594 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 34.114 7.005 27.906 0.00 0.00 0.103 C ATOM 4 C UNL d 1 36.533 6.568 28.227 0.00 0.00 0.042 C ATOM 5 C UNL d 1 35.390 7.426 28.308 0.00 0.00 0.057 C ATOM 6 C UNL d 1 33.995 5.668 27.503 0.00 0.00 0.103 C ATOM 7 C UNL d 1 36.420 5.327 27.605 0.00 0.00 0.075 C ATOM 8 C UNL d 1 35.151 4.889 27.290 0.00 0.00 0.072 C ATOM 9 C UNL d 1 37.793 6.804 28.806 0.00 0.00 0.142 C ATOM 10 C UNL d 1 38.655 4.921 27.855 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 33.008 7.839 27.969 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 32.584 8.194 29.299 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 31.614 7.202 29.972 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 31.767 6.744 31.439 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 33.089 6.805 32.102 0.00 0.00 0.092 N ATOM 16 C UNL d 1 34.048 5.805 31.584 0.00 0.00 0.298 C ATOM 17 C UNL d 1 33.617 4.354 31.845 0.00 0.00 0.198 C ATOM 18 O UNL d 1 33.441 4.100 33.245 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 32.537 5.036 33.848 0.00 0.00 0.198 C ATOM 20 C UNL d 1 32.954 6.494 33.563 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 32.854 4.949 27.273 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 32.483 3.986 28.246 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 37.910 7.810 29.784 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 38.507 8.569 29.502 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 37.645 7.691 31.156 0.00 0.00 0.035 A ATOM 26 C UNL d 1 38.470 6.939 32.009 0.00 0.00 0.056 A ATOM 27 C UNL d 1 38.174 6.815 33.368 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 39.221 5.899 34.383 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 37.039 7.425 33.881 0.00 0.00 0.138 A ATOM 30 F UNL d 1 36.739 7.331 35.185 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 36.185 8.141 33.048 0.00 0.00 0.046 A ATOM 32 C UNL d 1 36.482 8.265 31.689 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8