* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    146    226     424
    1     0 S   NP   _N1_     1    28.81924    93.91583   -25.72331
    2     1 S   H    _HN1     2     1.02949    79.02043    23.55987
    3     1 S   H    _H1_     3     1.02825    28.05922  -156.93322
    4     1 S   H    _H2_     4     1.02784   117.87212   -81.55566
    5     1 S   CT   _CA1     5     1.50133   122.55493   130.81670
    6     5 S   HC   _HA1     6     1.09576   105.16093    87.84696
    7     5 S   CO3  _C1_     7     1.53765   112.47599   -32.29840
    8     7 S   O2Z  _O11     8     1.26370   114.99035   -41.65420
    9     7 S   O2Z  _O12     9     1.26241   114.94148   137.35510
   10     5 S   CT   _CB1    10     1.53069   107.39225  -154.22821
   11    10 S   HC   HB11    11     1.09836   109.25969   -49.94287
   12    10 S   HC   HB12    12     1.09811   110.48449    66.62965
   13    10 S   CT   _CG1    13     1.53004   112.66985  -170.94067
   14    13 S   HC   HG11    14     1.09578   110.64979   -67.62261
   15    13 S   HC   HG12    15     1.09675   109.75262    51.61534
   16    13 S   C    _CD1    16     1.51821   112.15266   171.98435
   17    16 S   O    _OE1    17     1.22742   123.26294     8.81240
   18    16 S   N    _N2_    18     1.38670   111.72829  -171.03735
   19    18 S   H    _HN2    19     1.01575   118.91638     1.11785
   20    18 S   CT1  _CA2    20     1.46203   123.37663   176.42428
   21    20 S   HC   _HA2    21     1.09740   109.34574     5.46863
   22    20 S   C    _C2_    22     1.53652   108.65107  -109.97702
   23    22 S   O    _O2_    23     1.23074   122.25262  -147.99523
   24    20 S   CT   _CB2    32     1.53518   111.72171   127.54271
   25    24 S   HC   HB21    33     1.09498   109.51800    55.97290
   26    24 S   HC   HB22    34     1.09290   109.55272   174.82172
   27    22 S   N    _N3_    24     1.38316   113.80426    39.44322
   28    27 S   H    _HN3    25     1.01563   119.61547    -3.20118
   29    24 S   S    _SG2    35     1.82971   111.18771   -64.66685
   30    27 S   CT   _CA3    26     1.45290   123.25315   177.20047
   31    30 S   HC   HA31    27     1.09548   107.49764   -65.01710
   32    30 S   HC   HA32    28     1.09555   108.00711    51.43411
   33    29 S   CT   _C5_    36     1.87166   102.66096  -173.27970
   34    30 S   CO3  _C3_    29     1.52974   114.05898   173.44109
   35    34 S   O2Z  _O31    30     1.26383   116.06682    -0.72820
   36    34 S   O2Z  _O32    31     1.26430   114.41092   179.33353
   37    33 S   CT   _C6_    37     1.55807   107.30969    71.47400
   38    37 S   HC   _H10    38     1.09397   111.37101   -63.74231
   39    37 S   HC   _H11    39     1.09683   110.83993    55.52448
   40    33 S   CT   _C4_    75     1.54309   109.66932   -47.74111
   41    40 S   HC   _H7_    76     1.09553   112.32459   -47.04434
   42    40 S   HC   _H8_    77     1.09544   111.44421  -167.51403
   43    40 S   HC   _H9_    78     1.09586   111.76502    73.66189
   44    37 S   S    _S1_    40     1.83852   113.95846   176.84731
   45    44 S   C4T  _C7_    41     1.80638    93.93942   -62.08839
   46    45 S   HC   _H3_    42     1.09708   114.12383   -69.75041
   47    45 S   C4T  _C8_    43     1.54930   118.39148   152.01681
   48    47 S   HC   _H4_    44     1.09411   114.19134   119.05125
   49    45 S   N4   _N4_    47     1.46199   108.58547    56.04807
   50    47 S   C4   _C9_    45     1.57002    83.16714  -127.11815
   51    50 S   O    _O33    46     1.20748   137.12684  -163.15622
   52    33 S   CT1  _C10    48     1.57485   106.43820  -169.33445
   53    52 S   HC   _H5_    49     1.09969   109.55408   -48.72689
   54    47 S   N    _N5_    53     1.47996   117.16103   -15.46606
   55    54 S   H    _H12    54     1.01707   118.99513     8.57707
   56    52 S   CO3  _C11    50     1.55128   113.35538    71.22159
   57    56 S   O2Z  _O35    51     1.26524   116.05157    76.47355
   58    56 S   O2Z  _O34    52     1.26419   114.78069  -104.28034
   59    54 S   C    _C12    55     1.38367   122.31025  -164.80030
   60    59 S   O    _O36    56     1.22831   124.88444   -11.59614
   61    59 S   CT   _C13    57     1.51424   113.04477   166.11149
   62    61 S   HC   _H13    58     1.09586   108.68393   170.18346
   63    61 S   HC   _H14    59     1.09625   108.52122    53.90436
   64    61 S   CT   _C14    60     1.53299   112.01220   -67.43539
   65    64 S   HC   _H15    61     1.09593   108.13745   176.28227
   66    64 S   HC   _H16    62     1.09552   109.67672    60.19372
   67    64 S   CT   _C15    63     1.53717   112.43586   -62.39229
   68    67 S   HC   _H17    64     1.09735   109.49705    60.99280
   69    67 S   HC   _H18    65     1.09742   108.76057   -54.45963
   70    67 S   CT   _C16    66     1.53349   114.51183  -176.91701
   71    70 S   HC   _H6_    67     1.09702   108.24189  -178.54236
   72    70 S   CO3  _C17    68     1.54163   114.34919    63.39880
   73    72 S   O2Z  _O38    69     1.26227   115.76212    38.81939
   74    72 S   O2Z  _O37    70     1.26480   114.78790  -142.04128
   75    70 S   NP   _N6_    71     1.49833   109.09875   -65.52278
   76    75 S   H    _H19    72     1.03490   113.07020   -55.11123
   77    75 S   H    _H20    73     1.02863   110.04645  -174.71940
   78    75 S   H    _H21    74     1.02682   111.87336    67.10650
  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
  16   2   1   1  14   5   4   8   3   2   1   8  12   6  10   6
   8   7   2   4   3   7   3   2   1   1   8   4   9   5   4   9
   5   4  11   5   4   8   7   6   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    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    49    52    53    56    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    50    49    52    53    56    57    58    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    49    52    53    56    40    41    42    43  
   39    44    45    52    40  
   44    45    52    40  
   41    42    43    44    49    52    53    56  
   42    43    52  
   43    52  
   52  
   45    46    47    48    50    49    52    54  
   46    47    48    50    51    49    52    53    56    54    55    59  
   47    48    50    49    52    54  
   48    50    51    49    52    54    55    59    60    61  
   50    51    49    54    55    59  
   52    53    56    57    58    54    50    51  
   51    52    53    56    54    55    59  
   52    54  
   53    56    57    58  
   56    57    58  
   55    59    60    61    62    63    64  
   59    60    61  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66    67  
   61    62    63    64  
   62    63    64    65    66    67    68    69    70  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    70    71    72    75  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    74    75    76    77    78  
   69    70    71    72    75  
   70    71    72    75  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   73    74    75    76    77    78  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    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   0.047500   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   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   50   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   55   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   73   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   74   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   75   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   76   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   77   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   78   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
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    52   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   222.000  1.810
   44    45   200.000  1.824
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   305.000  1.456
   47    48   340.000  1.090
   47    50   250.000  1.540
   47    54   337.000  1.449
   50    51   930.000  1.212
   50    49   440.000  1.369
   49    52   337.000  1.449
   52    53   340.000  1.090
   52    56   317.000  1.522
   56    57   656.000  1.250
   56    58   656.000  1.250
   54    55   434.000  1.010
   54    59   490.000  1.335
   59    60   570.000  1.229
   59    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   317.000  1.522
   70    75   367.000  1.471
   72    73   656.000  1.250
   72    74   656.000  1.250
   75    76   434.000  1.010
   75    77   434.000  1.010
   75    78   434.000  1.010
   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    52    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    75.00000  111.63000
   33    52    49    80.00000  109.70000
   33    52    53    37.50000  110.70000
   33    52    56    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    45    46    45.00000  109.41400
   44    45    47    65.00000  119.05700
   44    45    49    80.00000  108.62000
   45    47    48    37.50000  110.70000
   45    47    50   100.00000   86.36000
   45    47    54    80.00000  110.05700
   45    49    50   100.00000   93.00000
   45    49    52    50.00000  132.70000
   47    45    46    37.50000  110.70000
   47    50    51    60.00000  136.58000
   47    50    49    95.00000   92.72400
   47    54    55    38.00000  118.40000
   47    54    59    50.00000  121.90000
   50    47    48    40.00000  113.37500
   50    49    52    50.00000  132.10000
   49    45    46    50.00000  112.01000
   49    45    47   105.00000   87.49700
   49    50    51    75.00000  131.60000
   49    52    53    35.00000  109.50000
   49    52    56    63.00000  110.10000
   52    33    37    58.35000  112.70000
   52    56    57    70.00000  117.00000
   52    56    58    70.00000  117.00000
   56    52    53    35.00000  109.50000
   58    56    57    80.00000  126.00000
   54    47    48    50.00000  112.01000
   54    47    50    75.00000  110.24000
   54    59    60    80.00000  122.90000
   54    59    61    70.00000  116.60000
   59    54    55    35.00000  119.80000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    63.00000  111.10000
   61    59    60    80.00000  120.40000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    70.00000  109.69300
   67    70    75    80.00000  111.20000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    73    70.00000  117.00000
   70    72    74    70.00000  117.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   72    70    71    35.00000  109.50000
   74    72    73    80.00000  126.00000
   75    70    71    35.00000  109.50000
   75    70    72    80.00000  109.26000
   77    75    76    35.00000  109.50000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    52    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    52    49   0.71400  1.0 1.0
   29    33    52    49   0.04300 -1.0 2.0
   29    33    52    49   0.01450  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56  -2.17200  1.0 1.0
   29    33    52    56  -0.85700 -1.0 2.0
   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  -0.25000 -1.0 2.0
   33    37    44    45  -0.01800  1.0 3.0
   33    52    56    57   0.00000  1.0 1.0
   33    52    56    58   0.00000  1.0 1.0
   37    33    52    49   0.42250  1.0 1.0
   37    33    52    49  -0.48100 -1.0 2.0
   37    33    52    49   0.35650  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    56  -0.84850  1.0 1.0
   37    33    52    56  -0.22800 -1.0 2.0
   37    33    52    56   0.29250  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    45    46   0.00000  1.0 1.0
   37    44    45    47   0.25150  1.0 1.0
   37    44    45    47  -1.17200 -1.0 2.0
   37    44    45    47   0.53050  1.0 3.0
   37    44   -45    49   0.01700  1.0 1.0
   37    44   -45    49  -0.23550 -1.0 2.0
   37    44   -45    49   0.21350  1.0 3.0
   38    37    44    45   0.32350  1.0 3.0
   39    37    44    45   0.32350  1.0 3.0
   44    45    47    48   0.00000  1.0 1.0
   44    45    47    50   0.00000  1.0 1.0
   44    45    47    54   0.00000  1.0 1.0
   44    45   -49    50   0.00000  1.0 1.0
   44    45    49    52   0.00000  1.0 1.0
   45    47    50    51  -0.11250  1.0 1.0
   45    47    50    51   0.11400 -1.0 2.0
   45    47    50    51  -0.28950  1.0 3.0
   45    47   -50    49   3.00000 -1.0 2.0
   45    47    54    55   0.00000  1.0 1.0
   45    47    54    59  -0.43950  1.0 1.0
   45    47    54    59  -0.08100 -1.0 2.0
   45    47    54    59   0.03350  1.0 3.0
   45    49   -52    33   0.00000  1.0 1.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    56   0.00000  1.0 1.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    47    54   0.15000  1.0 3.0
   46    45   -49    50   0.00000  1.0 1.0
   46    45    49    52   0.00000  1.0 1.0
   47    45   -49    50   0.00000  1.0 1.0
   47    45    49    52   0.00000  1.0 1.0
   47    50   -49    45   3.00000 -1.0 2.0
   47    50   -49    52   3.00000 -1.0 2.0
   47    54    59    60   3.04450 -1.0 2.0
   47    54    59    61   1.49850  1.0 1.0
   47    54    59    61   1.53950 -1.0 2.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    49   0.00000  1.0 1.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    59   0.00000  1.0 1.0
   50    47    54    55   0.00000  1.0 1.0
   50    47    54    59  -0.42300  1.0 1.0
   50    47    54    59  -0.07000 -1.0 2.0
   50    47    54    59   0.04150  1.0 3.0
   50    49    52    33   0.00000  1.0 1.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    56   0.00000  1.0 1.0
   51    50   -49    45   3.00000 -1.0 2.0
   51    50    49    52   3.00000 -1.0 2.0
   49    45   -47    48   0.15000  1.0 3.0
   49    45   -47    50   3.00000 -1.0 2.0
   49    45    47    54   2.20050  1.0 1.0
   49    45    47    54   0.63450 -1.0 2.0
   49    45    47    54  -0.91300  1.0 3.0
   49    52    56    57   0.00000  1.0 1.0
   49    52    56    58   0.00000  1.0 1.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    44   0.44750  1.0 1.0
   52    33   -37    44  -0.17800 -1.0 2.0
   52    33   -37    44   0.20200  1.0 3.0
   52    33    40    41   0.15000  1.0 3.0
   52    33    40    42   0.15000  1.0 3.0
   52    33    40    43   0.15000  1.0 3.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    58   0.00000  1.0 1.0
   54    47    50    51   0.30150 -1.0 2.0
   54    47   -50    49   0.00000  1.0 1.0
   54    59    61    62   0.00000  1.0 1.0
   54    59    61    63   0.00000  1.0 1.0
   54    59    61    64   1.39750  1.0 1.0
   54    59    61    64  -0.07950 -1.0 2.0
   54    59    61    64  -0.18750  1.0 3.0
   55    54    59    60   2.45000 -1.0 2.0
   55    54    59    61   2.45000 -1.0 2.0
   59    61    64    65  -0.11250  1.0 3.0
   59    61    64    66  -0.11250  1.0 3.0
   59    61    64    67  -0.95700  1.0 1.0
   59    61    64    67  -0.18200 -1.0 2.0
   59    61    64    67   0.29450  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    61    64   0.30150 -1.0 2.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    69   0.15000  1.0 3.0
   61    64    67    70   0.56750  1.0 1.0
   61    64    67    70  -0.07550 -1.0 2.0
   61    64    67    70   0.20000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72  -1.63150  1.0 1.0
   64    67    70    72  -0.43550 -1.0 2.0
   64    67    70    72   0.24500  1.0 3.0
   64    67    70    75   1.36600  1.0 1.0
   64    67    70    75  -0.11450 -1.0 2.0
   64    67    70    75   0.24250  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    72    73   0.41150 -1.0 2.0
   67    70    72    74   0.41150 -1.0 2.0
   67    70    75    76   0.17350  1.0 3.0
   67    70    75    77   0.17350  1.0 3.0
   67    70    75    78   0.17350  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72  -0.11250  1.0 3.0
   68    67    70    75   0.19200  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72  -0.11250  1.0 3.0
   69    67    70    75   0.19200  1.0 3.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.00000  1.0 1.0
   71    70    75    76   0.13050  1.0 3.0
   71    70    75    77   0.13050  1.0 3.0
   71    70    75    78   0.13050  1.0 3.0
   72    70    75    76   0.17350  1.0 3.0
   72    70    75    77   0.17350  1.0 3.0
   72    70    75    78   0.17350  1.0 3.0
   75    70    72    73   0.30150 -1.0 2.0
   75    70    72    74   0.30150 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.44750  1.0 1.0
   40    33    37    44  -0.17800 -1.0 2.0
   40    33    37    44   0.20200  1.0 3.0
   40    33    52    49   0.42250  1.0 1.0
   40    33    52    49  -0.48100 -1.0 2.0
   40    33    52    49   0.35650  1.0 3.0
   40    33    52    53   0.15000  1.0 3.0
   40    33    52    56  -0.84850  1.0 1.0
   40    33    52    56  -0.22800 -1.0 2.0
   40    33    52    56   0.29250  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
   47    49    50    51  10.50000 -1.0 2.0
   52    50    49    45   1.00000 -1.0 2.0
   57    52    56    58  10.50000 -1.0 2.0
   55    59    54    47   1.00000 -1.0 2.0
   54    61    59    60  10.50000 -1.0 2.0
   73    70    72    74  10.50000 -1.0 2.0
END
