* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    145    232     437
    1     0 S   NP   _N1_     1    28.85333    96.19649   -22.56187
    2     1 S   H    _HN1     2     1.02783    99.61893   -79.68156
    3     1 S   H    _H1_     3     1.02948    73.40419    26.76692
    4     1 S   H    _H2_     4     1.02829    39.65457   173.82934
    5     1 S   CT   _CA1     5     1.50112   143.73027   128.81285
    6     5 S   HC   _HA1     6     1.09577   105.16545    88.03628
    7     5 S   CO3  _C1_     7     1.53701   112.53108   -32.10962
    8     7 S   O2Z  _O11     8     1.26369   115.00414   -41.51958
    9     7 S   O2Z  _O12     9     1.26237   114.92604   137.63045
   10     5 S   CT   _CB1    10     1.53066   107.42895  -154.04651
   11    10 S   HC   HB11    11     1.09831   109.17590   -50.47264
   12    10 S   HC   HB12    12     1.09813   110.52256    66.08799
   13    10 S   CT   _CG1    13     1.52996   112.67539  -171.52349
   14    13 S   HC   HG11    14     1.09585   110.59390   -68.75096
   15    13 S   HC   HG12    15     1.09675   109.80369    50.48943
   16    13 S   C    _CD1    16     1.51808   112.18790   170.82566
   17    16 S   O    _OE1    17     1.22729   123.27262     8.37292
   18    16 S   N    _N2_    18     1.38579   111.66028  -171.74398
   19    18 S   H    _HN2    19     1.01612   118.96970     0.31341
   20    18 S   CT1  _CA2    20     1.46268   123.47256   176.82775
   21    20 S   HC   _HA2    21     1.09737   109.47266    -3.76655
   22    20 S   C    _C2_    22     1.53467   108.30635  -119.12165
   23    22 S   O    _O2_    23     1.23033   122.38553  -147.67585
   24    20 S   CT   _CB2    32     1.53259   111.24549   118.51796
   25    24 S   HC   HB21    33     1.09201   109.34214    54.40378
   26    24 S   HC   HB22    34     1.09494   110.61736   172.90195
   27    22 S   N    _N3_    24     1.38377   113.50038    39.90738
   28    27 S   H    _HN3    25     1.01615   119.50712    -3.71146
   29    24 S   S    _SG2    35     1.82895   110.90579   -68.24181
   30    27 S   CT   _CA3    26     1.45276   123.19771   176.99482
   31    30 S   HC   HA31    27     1.09550   107.56674   -62.98635
   32    30 S   HC   HA32    28     1.09556   107.91058    53.43040
   33    29 S   CT   _C14    36     1.86811   102.42993   147.79877
   34    30 S   CO3  _C3_    29     1.52953   114.09768   175.38459
   35    34 S   O2Z  _O31    30     1.26374   116.07313    -0.52227
   36    34 S   O2Z  _O32    31     1.26431   114.41542   179.50981
   37    33 S   CT   _C13    37     1.56622   111.41303   -62.60828
   38    37 S   HC   _H6_    38     1.09570   110.82464    -9.26512
   39    33 S   CT   _C15    72     1.54582   105.17249    61.18007
   40    39 S   HC   _H18    73     1.09660   111.87513    54.67467
   41    39 S   HC   _H19    74     1.09546   112.45585   -65.50326
   42    39 S   HC   _H20    75     1.09226   112.46217   174.75779
   43    37 S   CT   _C12    39     1.55706   106.58170  -128.61201
   44    43 S   HC   _H5_    40     1.09422   112.20053  -138.42431
   45    37 S   CO4  _C16    69     1.51832   115.74135   109.78620
   46    45 S   O    _O33    70     1.22821   123.00722  -119.95269
   47    45 S   HC   _H21    71     1.10110   116.85579    60.36378
   48    43 S   CT   _C11    41     1.54019   105.03601   -18.78440
   49    48 S   HC   _H4_    42     1.09893   110.93601   157.94818
   50    33 S   CT   _C10    43     1.59057   110.82598  -176.39337
   51    48 S   CO4  _C17    66     1.51955   114.24662   -85.90018
   52    51 S   O    _O34    67     1.22669   124.65136   -11.82932
   53    51 S   HC   _H22    68     1.10285   115.50124   172.88727
   54    50 S   CT   _C9_    44     1.57136   114.66315    41.54904
   55    54 S   HC   _H16    45     1.09658   111.23844   -70.24920
   56    54 S   HC   _H17    46     1.09994   108.26748   175.21885
   57    50 S   CT   _C18    62     1.53758   114.41963   -82.29709
   58    57 S   HC   _H23    63     1.09332   113.00765   -56.53675
   59    57 S   HC   _H24    64     1.09618   110.89034  -176.38930
   60    57 S   HC   _H25    65     1.09547   110.90700    64.19073
   61    54 S   CT   _C8_    47     1.53574   115.51944    55.10436
   62    61 S   HC   _H14    48     1.09672   108.05064   161.39183
   63    61 S   HC   _H15    49     1.09577   109.35994   -84.24536
   64    43 S   CT   _C7_    50     1.55808   111.56677    97.95236
   65    64 S   HC   _H3_    51     1.10011   106.80444  -170.79833
   66    64 S   CT   _C5_    52     1.56026   114.25511    71.48168
   67    66 S   HC   _H10    53     1.09663   109.50106   -66.77739
   68    66 S   CT   _C4_    54     1.53272   112.53722    52.65311
   69    68 S   HC   _H7_    55     1.09507   111.24262    53.39687
   70    68 S   HC   _H8_    56     1.09391   111.42819   -67.82170
   71    68 S   HC   _H9_    57     1.09564   110.92432   173.56017
   72    66 S   CT   _C6_    58     1.53489   111.38788   174.86092
   73    72 S   HC   _H11    59     1.09519   111.21814   -55.99587
   74    72 S   HC   _H12    60     1.09517   110.90105  -175.98966
   75    72 S   HC   _H13    61     1.09391   111.41038    64.95440
  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
  24   2   1   1  20   9   9   3   2   1  21   9   5   1   1  16
   7  14   5   1   1  12   6   5   4   2   1   1   8   4   3  11
   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    48    50    54    57    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    48    49    50    54    55    56    61    64    57    58    59    60    51    45    46    47    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    48    49    50    54    61    64    65    66    57    51    45    46    47    39    40    41    42  
   43    44    48    50    64    45    46    47    39  
   40    41    42    43    45    48    50    54    57  
   41    42    50  
   42    50  
   50  
   44    48    49    50    54    61    62    63    64    65    66    67    68    72    57    51    52    53    45    46    47  
   48    49    50    61    64    65    66    51    45  
   46    47    48    50    64  
   47  
    0  
   49    50    54    55    56    61    64    65    66    57    58    59    60    51    52    53  
   50    54    64    57    51    52    53  
   54    55    56    61    62    63    64    57    58    59    60    51    52    53  
   52    53    54    57    64  
   53  
    0  
   55    56    61    62    63    64    65    66    57    58    59    60  
   56    61    62    63    64    57  
   61    62    63    64    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68    72  
   63    64    65    66  
   64    65    66  
   65    66    67    68    69    70    71    72    73    74    75  
   66    67    68    72  
   67    68    69    70    71    72    73    74    75  
   68    69    70    71    72    73    74    75  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   47   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   53   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   317.000  1.522
   43    44   340.000  1.090
   43    48   268.000  1.529
   43    64   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   317.000  1.522
   50    54   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   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   268.000  1.529
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    72   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   51    52   570.000  1.229
   51    53   340.000  1.090
   45    46   570.000  1.229
   45    47   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    63.00000  111.10000
   33    50    48    58.35000  112.70000
   33    50    54    58.35000  112.70000
   33    50    57    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    48    58.35000  112.70000
   37    43    64    58.35000  112.70000
   37    45    46    80.00000  120.40000
   37    45    47    35.00000  115.00000
   43    37    38    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    58.35000  112.70000
   43    48    51    63.00000  111.10000
   43    64    61    58.35000  112.70000
   43    64    65    37.50000  110.70000
   43    64    66    58.35000  112.70000
   48    43    44    37.50000  110.70000
   48    50    54    58.35000  112.70000
   48    50    57    58.35000  112.70000
   48    51    52    80.00000  120.40000
   48    51    53    35.00000  115.00000
   50    33    37    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    61    58.35000  112.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    43    44    37.50000  110.70000
   64    43    48    58.35000  112.70000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    58.35000  112.70000
   64    66    72    58.35000  112.70000
   66    64    65    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    71    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    75    37.50000  110.70000
   68    66    67    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   57    50    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    63.00000  111.10000
   53    51    52    35.00000  123.00000
   45    37    38    35.00000  109.50000
   45    37    43    63.00000  111.10000
   47    45    46    35.00000  123.00000
   39    33    37    58.35000  112.70000
   39    33    50    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    50    48   0.44750  1.0 1.0
   29    33    50    48  -0.17800 -1.0 2.0
   29    33    50    48   0.20200  1.0 3.0
   29    33    50    54   0.44750  1.0 1.0
   29    33    50    54  -0.17800 -1.0 2.0
   29    33    50    54   0.20200  1.0 3.0
   29    33    50    57   0.44750  1.0 1.0
   29    33    50    57  -0.17800 -1.0 2.0
   29    33    50    57   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37   -43    48   0.56750  1.0 1.0
   33    37   -43    48  -0.07550 -1.0 2.0
   33    37   -43    48   0.20000  1.0 3.0
   33    37    43    64   0.56750  1.0 1.0
   33    37    43    64  -0.07550 -1.0 2.0
   33    37    43    64   0.20000  1.0 3.0
   33    37    45    46   0.30150 -1.0 2.0
   33    37    45    47   0.74550  1.0 1.0
   33    37    45    47  -0.00500 -1.0 2.0
   33    50    54    55   0.15000  1.0 3.0
   33    50    54    56   0.15000  1.0 3.0
   33    50    54    61   0.56750  1.0 1.0
   33    50    54    61  -0.07550 -1.0 2.0
   33    50    54    61   0.20000  1.0 3.0
   33    50    57    58   0.15000  1.0 3.0
   33    50    57    59   0.15000  1.0 3.0
   33    50    57    60   0.15000  1.0 3.0
   37    33   -50    48   0.56750  1.0 1.0
   37    33   -50    48  -0.07550 -1.0 2.0
   37    33   -50    48   0.20000  1.0 3.0
   37    33    50    54   0.56750  1.0 1.0
   37    33    50    54  -0.07550 -1.0 2.0
   37    33    50    54   0.20000  1.0 3.0
   37    33    50    57   0.56750  1.0 1.0
   37    33    50    57  -0.07550 -1.0 2.0
   37    33    50    57   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    48    49   0.15000  1.0 3.0
   37    43   -48    50   0.56750  1.0 1.0
   37    43   -48    50  -0.07550 -1.0 2.0
   37    43   -48    50   0.20000  1.0 3.0
   37    43    48    51  -0.95700  1.0 1.0
   37    43    48    51  -0.18200 -1.0 2.0
   37    43    48    51   0.29450  1.0 3.0
   37    43    64    61   0.56750  1.0 1.0
   37    43    64    61  -0.07550 -1.0 2.0
   37    43    64    61   0.20000  1.0 3.0
   37    43    64    65   0.15000  1.0 3.0
   37    43    64    66   0.56750  1.0 1.0
   37    43    64    66  -0.07550 -1.0 2.0
   37    43    64    66   0.20000  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    43    64   0.15000  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    47   0.00000  1.0 1.0
   43    37    45    46   0.30150 -1.0 2.0
   43    37    45    47   0.74550  1.0 1.0
   43    37    45    47  -0.00500 -1.0 2.0
   43    48   -50    33   0.56750  1.0 1.0
   43    48   -50    33  -0.07550 -1.0 2.0
   43    48   -50    33   0.20000  1.0 3.0
   43    48    50    54   0.56750  1.0 1.0
   43    48    50    54  -0.07550 -1.0 2.0
   43    48    50    54   0.20000  1.0 3.0
   43    48    50    57   0.56750  1.0 1.0
   43    48    50    57  -0.07550 -1.0 2.0
   43    48    50    57   0.20000  1.0 3.0
   43    48    51    52   0.30150 -1.0 2.0
   43    48    51    53   0.74550  1.0 1.0
   43    48    51    53  -0.00500 -1.0 2.0
   43    64    66    67   0.15000  1.0 3.0
   43    64    66    68   0.56750  1.0 1.0
   43    64    66    68  -0.07550 -1.0 2.0
   43    64    66    68   0.20000  1.0 3.0
   43    64    66    72   0.56750  1.0 1.0
   43    64    66    72  -0.07550 -1.0 2.0
   43    64    66    72   0.20000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51  -0.11250  1.0 3.0
   44    43    64    61   0.15000  1.0 3.0
   44    43    64    65   0.15000  1.0 3.0
   44    43    64    66   0.15000  1.0 3.0
   48    43    64    61   0.56750  1.0 1.0
   48    43    64    61  -0.07550 -1.0 2.0
   48    43    64    61   0.20000  1.0 3.0
   48    43    64    65   0.15000  1.0 3.0
   48    43    64    66   0.56750  1.0 1.0
   48    43    64    66  -0.07550 -1.0 2.0
   48    43    64    66   0.20000  1.0 3.0
   48    50    54    55   0.15000  1.0 3.0
   48    50    54    56   0.15000  1.0 3.0
   48    50   -54    61   0.56750  1.0 1.0
   48    50   -54    61  -0.07550 -1.0 2.0
   48    50   -54    61   0.20000  1.0 3.0
   48    50    57    58   0.15000  1.0 3.0
   48    50    57    59   0.15000  1.0 3.0
   48    50    57    60   0.15000  1.0 3.0
   49    48    50    33   0.15000  1.0 3.0
   49    48    50    54   0.15000  1.0 3.0
   49    48    50    57   0.15000  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    53   0.00000  1.0 1.0
   50    33    37    38   0.15000  1.0 3.0
   50    33   -37    43   0.56750  1.0 1.0
   50    33   -37    43  -0.07550 -1.0 2.0
   50    33   -37    43   0.20000  1.0 3.0
   50    33    37    45  -0.95700  1.0 1.0
   50    33    37    45  -0.18200 -1.0 2.0
   50    33    37    45   0.29450  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    33    39    42   0.15000  1.0 3.0
   50    48    51    52   0.30150 -1.0 2.0
   50    48    51    53   0.74550  1.0 1.0
   50    48    51    53  -0.00500 -1.0 2.0
   50    54    61    62   0.15000  1.0 3.0
   50    54    61    63   0.15000  1.0 3.0
   50    54    61    64   0.56750  1.0 1.0
   50    54    61    64  -0.07550 -1.0 2.0
   50    54    61    64   0.20000  1.0 3.0
   54    50    57    58   0.15000  1.0 3.0
   54    50    57    59   0.15000  1.0 3.0
   54    50    57    60   0.15000  1.0 3.0
   54    61   -64    43   0.56750  1.0 1.0
   54    61   -64    43  -0.07550 -1.0 2.0
   54    61   -64    43   0.20000  1.0 3.0
   54    61    64    65   0.15000  1.0 3.0
   54    61    64    66   0.56750  1.0 1.0
   54    61    64    66  -0.07550 -1.0 2.0
   54    61    64    66   0.20000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    64   0.15000  1.0 3.0
   61    64    66    67   0.15000  1.0 3.0
   61    64    66    68   0.56750  1.0 1.0
   61    64    66    68  -0.07550 -1.0 2.0
   61    64    66    68   0.20000  1.0 3.0
   61    64    66    72   0.56750  1.0 1.0
   61    64    66    72  -0.07550 -1.0 2.0
   61    64    66    72   0.20000  1.0 3.0
   62    61    64    43   0.15000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   63    61    64    43   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
   64    43    48    49   0.15000  1.0 3.0
   64    43   -48    50   0.56750  1.0 1.0
   64    43   -48    50  -0.07550 -1.0 2.0
   64    43   -48    50   0.20000  1.0 3.0
   64    43    48    51  -0.95700  1.0 1.0
   64    43    48    51  -0.18200 -1.0 2.0
   64    43    48    51   0.29450  1.0 3.0
   64    66    68    69   0.15000  1.0 3.0
   64    66    68    70   0.15000  1.0 3.0
   64    66    68    71   0.15000  1.0 3.0
   64    66    72    73   0.15000  1.0 3.0
   64    66    72    74   0.15000  1.0 3.0
   64    66    72    75   0.15000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    72   0.15000  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    71   0.15000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    75   0.15000  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    75   0.15000  1.0 3.0
   72    66    68    69   0.15000  1.0 3.0
   72    66    68    70   0.15000  1.0 3.0
   72    66    68    71   0.15000  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    61   0.56750  1.0 1.0
   57    50    54    61  -0.07550 -1.0 2.0
   57    50    54    61   0.20000  1.0 3.0
   51    48    50    33  -0.95700  1.0 1.0
   51    48    50    33  -0.18200 -1.0 2.0
   51    48    50    33   0.29450  1.0 3.0
   51    48    50    54  -0.95700  1.0 1.0
   51    48    50    54  -0.18200 -1.0 2.0
   51    48    50    54   0.29450  1.0 3.0
   51    48    50    57  -0.95700  1.0 1.0
   51    48    50    57  -0.18200 -1.0 2.0
   51    48    50    57   0.29450  1.0 3.0
   45    37    43    44  -0.11250  1.0 3.0
   45    37    43    48  -0.95700  1.0 1.0
   45    37    43    48  -0.18200 -1.0 2.0
   45    37    43    48   0.29450  1.0 3.0
   45    37    43    64  -0.95700  1.0 1.0
   45    37    43    64  -0.18200 -1.0 2.0
   45    37    43    64   0.29450  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45  -0.95700  1.0 1.0
   39    33    37    45  -0.18200 -1.0 2.0
   39    33    37    45   0.29450  1.0 3.0
   39    33    50    48   0.56750  1.0 1.0
   39    33    50    48  -0.07550 -1.0 2.0
   39    33    50    48   0.20000  1.0 3.0
   39    33    50    54   0.56750  1.0 1.0
   39    33    50    54  -0.07550 -1.0 2.0
   39    33    50    54   0.20000  1.0 3.0
   39    33    50    57   0.56750  1.0 1.0
   39    33    50    57  -0.07550 -1.0 2.0
   39    33    50    57   0.20000  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
   48    53    51    52  10.50000 -1.0 2.0
   37    47    45    46  10.50000 -1.0 2.0
END
