* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    153    236     457
    1     0 S   NP   _N1_     1    28.71387    95.14058   -24.66745
    2     1 S   H    _HN1     2     1.02785   110.62985   -87.82775
    3     1 S   H    _H1_     3     1.02948    77.25516    17.24422
    4     1 S   H    _H2_     4     1.02827    30.95236  -178.43802
    5     1 S   CT   _CA1     5     1.50118   130.69983   123.31267
    6     5 S   HC   _HA1     6     1.09573   105.18848    87.14385
    7     5 S   CO3  _C1_     7     1.53781   112.44577   -33.07704
    8     7 S   O2Z  _O11     8     1.26373   115.00422   -42.76151
    9     7 S   O2Z  _O12     9     1.26237   114.94123   136.32110
   10     5 S   CT   _CB1    10     1.53073   107.41346  -154.88340
   11    10 S   HC   HB11    11     1.09835   109.35522   -49.68838
   12    10 S   HC   HB12    12     1.09811   110.45918    66.91026
   13    10 S   CT   _CG1    13     1.52993   112.61722  -170.66217
   14    13 S   HC   HG11    14     1.09584   110.65319   -66.06027
   15    13 S   HC   HG12    15     1.09670   109.77430    53.17723
   16    13 S   C    _CD1    16     1.51802   112.17923   173.62182
   17    16 S   O    _OE1    17     1.22735   123.27982     7.85430
   18    16 S   N    _N2_    18     1.38633   111.69237  -172.24202
   19    18 S   H    _HN2    19     1.01584   118.92684     1.53621
   20    18 S   CT1  _CA2    20     1.46227   123.41615   177.55784
   21    20 S   HC   _HA2    21     1.09736   109.40614     3.61823
   22    20 S   C    _C2_    22     1.53569   108.60272  -111.91919
   23    22 S   O    _O2_    23     1.23064   122.26750  -147.66329
   24    20 S   CT   _CB2    32     1.53471   111.47062   125.69930
   25    24 S   HC   HB21    33     1.09349   109.33363    56.57058
   26    24 S   HC   HB22    34     1.09403   109.79455   175.36189
   27    22 S   N    _N3_    24     1.38325   113.73008    39.76987
   28    27 S   H    _HN3    25     1.01580   119.59495    -3.28992
   29    24 S   S    _SG2    35     1.82919   111.03365   -65.03716
   30    27 S   CT   _CA3    26     1.45285   123.22066   177.16137
   31    30 S   HC   HA31    27     1.09550   107.51013   -64.56930
   32    30 S   HC   HA32    28     1.09558   107.98551    51.86768
   33    29 S   CT   _C5_    36     1.86844   102.18139   169.88847
   34    30 S   CO3  _C3_    29     1.52963   114.08107   173.86505
   35    34 S   O2Z  _O31    30     1.26376   116.07409    -0.69774
   36    34 S   O2Z  _O32    31     1.26430   114.41089   179.36204
   37    33 S   CT   _C6_    37     1.54865   105.54975  -179.57022
   38    37 S   HC   _H10    38     1.09852   110.47693    54.89594
   39    37 S   HC   _H11    39     1.09843   110.46402   -62.40348
   40    33 S   CT   _C4_    76     1.54388   107.06040    63.61049
   41    40 S   HC   _H7_    77     1.09504   111.83863   -68.32763
   42    40 S   HC   _H8_    78     1.09413   112.23208   172.62983
   43    40 S   HC   _H9_    79     1.09654   111.69461    53.02068
   44    37 S   CT   _C7_    40     1.53291   113.46813   176.01518
   45    44 S   HC   _H12    41     1.09458   109.05759    68.46523
   46    44 S   HC   _H13    42     1.09654   108.15491  -176.39859
   47    44 S   CT   _C8_    43     1.54484   112.45670   -54.67585
   48    47 S   HC   _H3_    44     1.09935   104.94435   -62.61323
   49    47 S   CT   _C9_    45     1.54494   110.02608    53.21204
   50    49 S   HC   _H14    46     1.09483   109.99204    68.01532
   51    49 S   HC   _H15    47     1.09587   110.50933  -175.75144
   52    47 S   CT   _C11    51     1.58234   112.74265  -177.62851
   53    33 S   CT   _C10    48     1.55528   113.79480   -58.80435
   54    53 S   Cl   Cl1_    49     1.80508   113.01660   -47.40548
   55    53 S   HC   _H4_    50     1.09502   110.21644    69.93639
   56    52 S   CT   _C12    52     1.55327   111.50146   178.60787
   57    56 S   HC   _H5_    53     1.09616   110.14852    74.96664
   58    52 S   CT   _C18    72     1.54122   110.32795   -58.52114
   59    58 S   HC   _H25    73     1.09151   112.36885  -168.02518
   60    58 S   HC   _H26    74     1.09476   111.49161    72.68951
   61    58 S   HC   _H27    75     1.09326   112.11076   -49.37964
   62    56 S   CT   _C13    54     1.52773   112.64181  -162.64915
   63    62 S   HC   _H16    55     1.09793   109.45441   173.91356
   64    62 S   HC   _H17    56     1.09546   110.59107   -69.21429
   65    56 S   OH   _O34    70     1.43150   109.92601   -42.63475
   66    65 S   HO   _H24    71     0.97248   107.69692   175.09559
   67    62 S   CT   _C14    57     1.52418   109.83399    53.81933
   68    67 S   Br   Br1_    58     1.95782   108.72709   178.55017
   69    67 S   HC   _H6_    59     1.09717   108.26349    66.23220
   70    67 S   CT   _C15    60     1.53988   112.51936   -55.07936
   71    52 S   OS   _O33    61     1.44348   103.81111    59.56250
   72    70 S   CT   _C16    62     1.53735   115.12836   -75.38801
   73    72 S   HC   _H18    63     1.09592   110.84845   162.54111
   74    72 S   HC   _H19    64     1.09188   112.44153    42.50521
   75    72 S   HC   _H20    65     1.09561   111.89911   -77.32818
   76    70 S   CT   _C17    66     1.54279   109.82533   163.49702
   77    76 S   HC   _H21    67     1.09688   110.66407  -175.20041
   78    76 S   HC   _H22    68     1.09420   112.57269    63.75885
   79    76 S   HC   _H23    69     1.09649   110.81324   -57.80048
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  17   2   1   1  16   7   6   8   3   2   1  12   5   4  18   8
   9   5   4  17   2   1   1  15   8   7   3   2   1  11   6   5
   3   1  12   5   4   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    49    53    54    55    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    47    49    50    51    53    54    55    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    49    53    54    55    52    40    41    42    43  
   39    44    45    46    47    53    40  
   44    45    46    47    53    40  
   41    42    43    44    49    53    54    55  
   42    43    53  
   43    53  
   53  
   45    46    47    48    49    50    51    53    52    56    71    58  
   46    47    48    49    52  
   47    48    49    52  
   48    49    50    51    53    54    55    52    56    57    62    70    71    65    58    59    60    61  
   49    50    51    53    52    56    71    58  
   50    51    53    54    55    52    56    71    58  
   51    53    54    55    52  
   53    54    55    52  
   56    57    62    63    64    67    70    71    72    76    65    66    58    59    60    61    53  
   54    55  
   55  
    0  
   57    62    63    64    67    68    69    70    71    65    66    58    59    60    61  
   62    63    64    67    71    65    66    58  
   59    60    61    62    65    70    71  
   60    61    71  
   61    71  
   71  
   63    64    67    68    69    70    71    72    76    65    66  
   64    67    68    69    70    65  
   67    68    69    70    65  
   66    67    71  
    0  
   68    69    70    71    72    73    74    75    76    77    78    79  
   69    70    71    72    76  
   70    71    72    76  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76    77    78    79  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   55   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.009500   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.053000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   69   2.5000   0.0300   0.146400   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    53   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   245.000  1.781
   53    55   340.000  1.090
   52    56   268.000  1.529
   52    71   320.000  1.410
   52    58   268.000  1.529
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   245.000  1.990
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   320.000  1.410
   70    72   268.000  1.529
   70    76   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   65    66   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    53    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    53    49    58.35000  112.70000
   33    53    54    69.00000  109.80000
   33    53    55    37.50000  110.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    46    37.50000  110.70000
   37    44    47    58.35000  112.70000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    58.35000  112.70000
   44    47    52    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    53    58.35000  112.70000
   47    52    56    58.35000  112.70000
   47    52    71    50.00000  109.50000
   47    52    58    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    53    54    69.00000  109.80000
   49    53    55    37.50000  110.70000
   51    49    50    33.00000  107.80000
   53    33    37    58.35000  112.70000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   55    53    54    51.00000  107.60000
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    56    57    37.50000  110.70000
   52    56    62    58.35000  112.70000
   52    56    65    50.00000  109.50000
   52    71    70    60.00000  109.50000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    67    58.35000  112.70000
   56    65    66    55.00000  108.50000
   62    56    57    37.50000  110.70000
   62    67    68    70.00000  109.17700
   62    67    69    37.50000  110.70000
   62    67    70    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    70    71    50.00000  109.50000
   67    70    72    58.35000  112.70000
   67    70    76    58.35000  112.70000
   69    67    68    51.00000  107.60000
   70    67    68    70.00000  109.17700
   70    67    69    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    75    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   71    52    56    50.00000  109.50000
   72    70    71    50.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    70    71    50.00000  109.50000
   76    70    72    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   65    56    57    35.00000  109.50000
   65    56    62    50.00000  109.50000
   58    52    56    58.35000  112.70000
   58    52    71    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    53    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    53    49   0.44750  1.0 1.0
   29    33    53    49  -0.17800 -1.0 2.0
   29    33    53    49   0.20200  1.0 3.0
   29    33    53    54   0.56750  1.0 1.0
   29    33    53    54  -0.07550 -1.0 2.0
   29    33    53    54   0.20000  1.0 3.0
   29    33    53    55   0.15000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    46   0.15000  1.0 3.0
   33    37    44    47   0.56750  1.0 1.0
   33    37    44    47  -0.07550 -1.0 2.0
   33    37    44    47   0.20000  1.0 3.0
   37    33    53    49   0.56750  1.0 1.0
   37    33    53    49  -0.07550 -1.0 2.0
   37    33    53    49   0.20000  1.0 3.0
   37    33    53    54   0.35600  1.0 1.0
   37    33    53    54  -0.14650 -1.0 2.0
   37    33    53    54   0.33350  1.0 3.0
   37    33    53    55   0.15000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    47    48   0.15000  1.0 3.0
   37    44   -47    49   0.56750  1.0 1.0
   37    44   -47    49  -0.07550 -1.0 2.0
   37    44   -47    49   0.20000  1.0 3.0
   37    44    47    52   0.56750  1.0 1.0
   37    44    47    52  -0.07550 -1.0 2.0
   37    44    47    52   0.20000  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    46   0.15000  1.0 3.0
   38    37    44    47   0.15000  1.0 3.0
   39    37    44    45   0.15000  1.0 3.0
   39    37    44    46   0.15000  1.0 3.0
   39    37    44    47   0.15000  1.0 3.0
   44    47    49    50   0.15000  1.0 3.0
   44    47    49    51   0.15000  1.0 3.0
   44    47    49    53   0.56750  1.0 1.0
   44    47    49    53  -0.07550 -1.0 2.0
   44    47    49    53   0.20000  1.0 3.0
   44    47    52    56   0.56750  1.0 1.0
   44    47    52    56  -0.07550 -1.0 2.0
   44    47    52    56   0.20000  1.0 3.0
   44    47    52    71   0.62750  1.0 1.0
   44    47    52    71  -0.30950 -1.0 2.0
   44    47    52    71   0.27300  1.0 3.0
   44    47    52    58   0.56750  1.0 1.0
   44    47    52    58  -0.07550 -1.0 2.0
   44    47    52    58   0.20000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    52   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    52   0.15000  1.0 3.0
   47    49   -53    33   0.56750  1.0 1.0
   47    49   -53    33  -0.07550 -1.0 2.0
   47    49   -53    33   0.20000  1.0 3.0
   47    49    53    54   0.35600  1.0 1.0
   47    49    53    54  -0.14650 -1.0 2.0
   47    49    53    54   0.33350  1.0 3.0
   47    49    53    55   0.15000  1.0 3.0
   47    52    56    57   0.15000  1.0 3.0
   47    52    56    62   0.56750  1.0 1.0
   47    52    56    62  -0.07550 -1.0 2.0
   47    52    56    62   0.20000  1.0 3.0
   47    52    56    65   0.86500  1.0 1.0
   47    52    56    65  -0.17500 -1.0 2.0
   47    52    56    65   0.20800  1.0 3.0
   47    52    71    70   0.06250  1.0 1.0
   47    52    71    70  -0.01100 -1.0 2.0
   47    52    71    70   0.28050  1.0 3.0
   47    52    58    59   0.15000  1.0 3.0
   47    52    58    60   0.15000  1.0 3.0
   47    52    58    61   0.15000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.15000  1.0 3.0
   48    47    52    56   0.15000  1.0 3.0
   48    47    52    71   0.23400  1.0 3.0
   48    47    52    58   0.15000  1.0 3.0
   49    47    52    56   0.56750  1.0 1.0
   49    47    52    56  -0.07550 -1.0 2.0
   49    47    52    56   0.20000  1.0 3.0
   49    47    52    71   0.62750  1.0 1.0
   49    47    52    71  -0.30950 -1.0 2.0
   49    47    52    71   0.27300  1.0 3.0
   49    47    52    58   0.56750  1.0 1.0
   49    47    52    58  -0.07550 -1.0 2.0
   49    47    52    58   0.20000  1.0 3.0
   50    49    53    33   0.15000  1.0 3.0
   50    49    53    54   0.27000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   51    49    53    33   0.15000  1.0 3.0
   51    49    53    54   0.27000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    44   0.56750  1.0 1.0
   53    33   -37    44  -0.07550 -1.0 2.0
   53    33   -37    44   0.20000  1.0 3.0
   53    33    40    41   0.15000  1.0 3.0
   53    33    40    42   0.15000  1.0 3.0
   53    33    40    43   0.15000  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47    49    53   0.56750  1.0 1.0
   52    47    49    53  -0.07550 -1.0 2.0
   52    47    49    53   0.20000  1.0 3.0
   52    56    62    63   0.15000  1.0 3.0
   52    56    62    64   0.15000  1.0 3.0
   52    56    62    67   0.56750  1.0 1.0
   52    56    62    67  -0.07550 -1.0 2.0
   52    56    62    67   0.20000  1.0 3.0
   52    56    65    66  -0.11600  1.0 1.0
   52    56    65    66  -0.09450 -1.0 2.0
   52    56    65    66   0.21250  1.0 3.0
   56    52    71    70   0.06250  1.0 1.0
   56    52    71    70  -0.01100 -1.0 2.0
   56    52    71    70   0.28050  1.0 3.0
   56    52    58    59   0.15000  1.0 3.0
   56    52    58    60   0.15000  1.0 3.0
   56    52    58    61   0.15000  1.0 3.0
   56    62    67    68   0.74700  1.0 1.0
   56    62    67    68  -0.19600 -1.0 2.0
   56    62    67    68   0.19200  1.0 3.0
   56    62    67    69   0.15000  1.0 3.0
   56    62   -67    70   0.56750  1.0 1.0
   56    62   -67    70  -0.07550 -1.0 2.0
   56    62   -67    70   0.20000  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    64   0.15000  1.0 3.0
   57    56    62    67   0.15000  1.0 3.0
   57    56    65    66   0.19450  1.0 3.0
   62    56    65    66  -0.11600  1.0 1.0
   62    56    65    66  -0.09450 -1.0 2.0
   62    56    65    66   0.21250  1.0 3.0
   62    67    70    71   0.62750  1.0 1.0
   62    67    70    71  -0.30950 -1.0 2.0
   62    67    70    71   0.27300  1.0 3.0
   62    67    70    72   0.56750  1.0 1.0
   62    67    70    72  -0.07550 -1.0 2.0
   62    67    70    72   0.20000  1.0 3.0
   62    67    70    76   0.56750  1.0 1.0
   62    67    70    76  -0.07550 -1.0 2.0
   62    67    70    76   0.20000  1.0 3.0
   63    62    67    68   0.39750  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    70   0.15000  1.0 3.0
   64    62    67    68   0.39750  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    70   0.15000  1.0 3.0
   67    70   -71    52   0.06250  1.0 1.0
   67    70   -71    52  -0.01100 -1.0 2.0
   67    70   -71    52   0.28050  1.0 3.0
   67    70    72    73   0.15000  1.0 3.0
   67    70    72    74   0.15000  1.0 3.0
   67    70    72    75   0.15000  1.0 3.0
   67    70    76    77   0.15000  1.0 3.0
   67    70    76    78   0.15000  1.0 3.0
   67    70    76    79   0.15000  1.0 3.0
   68    67    70    71   0.56750  1.0 1.0
   68    67    70    71  -0.07550 -1.0 2.0
   68    67    70    71   0.20000  1.0 3.0
   68    67    70    72   0.74700  1.0 1.0
   68    67    70    72  -0.19600 -1.0 2.0
   68    67    70    72   0.19200  1.0 3.0
   68    67    70    76   0.74700  1.0 1.0
   68    67    70    76  -0.19600 -1.0 2.0
   68    67    70    76   0.19200  1.0 3.0
   69    67    70    71   0.23400  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    76   0.15000  1.0 3.0
   71    52    56    57   0.23400  1.0 3.0
   71    52   -56    62   0.62750  1.0 1.0
   71    52   -56    62  -0.30950 -1.0 2.0
   71    52   -56    62   0.27300  1.0 3.0
   71    52    56    65   3.69350  1.0 1.0
   71    52    56    65  -1.82950 -1.0 2.0
   71    52    58    59   0.23400  1.0 3.0
   71    52    58    60   0.23400  1.0 3.0
   71    52    58    61   0.23400  1.0 3.0
   71    70    72    73   0.23400  1.0 3.0
   71    70    72    74   0.23400  1.0 3.0
   71    70    72    75   0.23400  1.0 3.0
   71    70    76    77   0.23400  1.0 3.0
   71    70    76    78   0.23400  1.0 3.0
   71    70    76    79   0.23400  1.0 3.0
   72    70    71    52   0.06250  1.0 1.0
   72    70    71    52  -0.01100 -1.0 2.0
   72    70    71    52   0.28050  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    79   0.15000  1.0 3.0
   76    70    71    52   0.06250  1.0 1.0
   76    70    71    52  -0.01100 -1.0 2.0
   76    70    71    52   0.28050  1.0 3.0
   76    70    72    73   0.15000  1.0 3.0
   76    70    72    74   0.15000  1.0 3.0
   76    70    72    75   0.15000  1.0 3.0
   65    56    62    63   0.23400  1.0 3.0
   65    56    62    64   0.23400  1.0 3.0
   65    56    62    67   0.86500  1.0 1.0
   65    56    62    67  -0.17500 -1.0 2.0
   65    56    62    67   0.20800  1.0 3.0
   58    52    56    57   0.15000  1.0 3.0
   58    52    56    62   0.56750  1.0 1.0
   58    52    56    62  -0.07550 -1.0 2.0
   58    52    56    62   0.20000  1.0 3.0
   58    52    56    65   0.86500  1.0 1.0
   58    52    56    65  -0.17500 -1.0 2.0
   58    52    56    65   0.20800  1.0 3.0
   58    52    71    70   0.06250  1.0 1.0
   58    52    71    70  -0.01100 -1.0 2.0
   58    52    71    70   0.28050  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    53    49   0.56750  1.0 1.0
   40    33    53    49  -0.07550 -1.0 2.0
   40    33    53    49   0.20000  1.0 3.0
   40    33    53    54   0.35600  1.0 1.0
   40    33    53    54  -0.14650 -1.0 2.0
   40    33    53    54   0.33350  1.0 3.0
   40    33    53    55   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
END
