REMA Input SHELXS/L INS file: ionfe-c.pdb                             
REMA Parameters were exchanged from INS file to PDB format at 24-DEC-96
REMA TITL Ioniliden-Fe(III) C18H22O4Fe(358.2) Z=4 P21212 (H-L exchanged)
REMA CELL  0.70926 11.0929 13.4157 12.4213 90. 90. 90.
REMA ZERR  4 .0013 .0027   .0022      0. 0. 0.
REMA LATT  -1
REMA SYMM  -X,-Y,Z
REMA SYMM  0.5-X,0.5+Y,-Z
REMA SYMM  0.5+X,0.5-Y,-Z
REMA SFAC  C H O FE
REMA UNIT  72 88 16 4
REMA WGHT       0.0542      2.0208
REMA FVAR        1.77403
REMA
ATOM      1  Fe  FeC     1      2.4376  1.2414 10.7088  1.00  3.07
ATOM      2  O12 FeC     1      1.1758  3.3665  9.1550  1.00  7.40
ATOM      3  C12 FeC     1      1.6796  2.5621  9.7692  1.00  4.55
ATOM      4  O13 FeC     1      0.3735  1.6276 12.7346  1.00  6.31
ATOM      5  C13 FeC     1      1.1990  1.4579 11.9730  1.00  4.06
ATOM      6  O14 FeC     1      1.3337 -1.1678  9.5001  1.00  8.45
ATOM      7  C14 FeC     1      1.7517 -0.1850  9.8874  1.00  4.93
ATOM      8  C1  INL     2      4.4702  2.2267  8.2622  1.00  3.73
ATOM      9  C2  INL     2      5.1635  3.6241  8.2397  1.00  5.00
ATOM     10  C2' INL     2      4.2534  4.7288  8.7771  1.00  6.45
ATOM     11 H2'1 INL     2      3.4399  4.7493  8.2677  1.00  9.67
ATOM     12 H2'2 INL     2      4.6993  5.5756  8.7021  1.00  9.67
ATOM     13 H2'3 INL     2      4.0494  4.5552  9.6989  1.00  9.67
ATOM     14  C2" INL     2      6.4688  3.5558  9.0335  1.00  5.90
ATOM     15 H2"1 INL     2      7.0130  2.8417  8.6937  1.00  8.85
ATOM     16 H2"2 INL     2      6.2723  3.3955  9.9594  1.00  8.85
ATOM     17 H2"3 INL     2      6.9406  4.3873  8.9459  1.00  8.85
ATOM     18  C3  INL     2      5.5491  3.9654  6.7822  1.00  6.96
ATOM     19  H3A INL     2      5.7891  4.9038  6.7295  1.00  8.35
ATOM     20  H3B INL     2      6.3282  3.4453  6.5306  1.00  8.35
ATOM     21  C4  INL     2      4.4499  3.6905  5.8184  1.00  8.01
ATOM     22  H4A INL     2      4.7009  4.0059  4.9361  1.00  9.61
ATOM     23  H4B INL     2      3.6480  4.1626  6.0923  1.00  9.61
ATOM     24  C5  INL     2      4.1733  2.1851  5.7704  1.00  6.93
ATOM     25  H5A INL     2      3.3305  2.0285  5.3163  1.00  8.32
ATOM     26  H5B INL     2      4.8731  1.7467  5.2614  1.00  8.32
ATOM     27  C6  INL     2      4.1137  1.5920  7.1385  1.00  4.94
ATOM     28  C6' INL     2      3.5536  0.1854  7.1042  1.00  6.17
ATOM     29 H6'1 INL     2      3.8003 -0.2372  6.2783  1.00  9.26
ATOM     30 H6'2 INL     2      2.5966  0.2203  7.1726  1.00  9.26
ATOM     31 H6'3 INL     2      3.9088 -0.3185  7.8401  1.00  9.26
ATOM     32  C7  INL     2      4.3088  1.5200  9.5537  1.00  3.26
ATOM     33  H7  INL     2      4.1978  0.5971  9.5230  1.00  3.91
ATOM     34  C8  INL     2      4.3090  2.1297 10.8295  1.00  3.09
ATOM     35  H8  INL     2      4.5016  3.0368 10.9013  1.00  3.70
ATOM     36  C9  INL     2      4.0236  1.3907 11.9931  1.00  3.31
ATOM     37  C9' INL     2      4.0681  2.0437 13.3399  1.00  4.67
ATOM     38 H9'1 INL     2      4.9348  1.9115 13.7311  1.00  7.00
ATOM     39 H9'2 INL     2      3.3983  1.6543 13.9066  1.00  7.00
ATOM     40 H9'3 INL     2      3.9000  2.9842 13.2452  1.00  7.00
ATOM     41  C10 INL     2      3.7417 -0.0024 11.7883  1.00  3.57
ATOM     42  H10 INL     2      3.9517 -0.3900 10.9695  1.00  4.28
ATOM     43  C11 INL     2      3.1346 -0.8283 12.8290  1.00  5.05
ATOM     44  H11 INL     2      2.6931 -0.4068 13.5306  1.00  6.06
ATOM     45  O11 INL     2      3.1817 -2.0443 12.8172  1.00  7.38
END