* LIGAND DATABASE FILE (OPLS2005)
*
001      77    76    134    198     395
    1     0 S   NP   _N1_     1    29.05366    95.71379   -24.00602
    2     1 S   H    _HN1     2     1.02828    32.50454   175.96279
    3     1 S   H    _H1_     3     1.02788   112.58391   -95.95693
    4     1 S   H    _H2_     4     1.02950    75.26360     8.14442
    5     1 S   CT   _CA1     5     1.50120   129.75637   112.62168
    6     5 S   HC   _HA1     6     1.09574   105.17722    90.13188
    7     5 S   CO3  _C1_     7     1.53782   112.51480   -30.06640
    8     7 S   O2Z  _O11     8     1.26372   115.00628   -41.27645
    9     7 S   O2Z  _O12     9     1.26242   114.95428   137.85552
   10     5 S   CT   _CB1    10     1.53079   107.41348  -151.88784
   11    10 S   HC   HB11    11     1.09834   109.32904   -49.66923
   12    10 S   HC   HB12    12     1.09813   110.45798    66.93206
   13    10 S   CT   _CG1    13     1.52995   112.63037  -170.65075
   14    13 S   HC   HG11    14     1.09578   110.64372   -66.64965
   15    13 S   HC   HG12    15     1.09673   109.75801    52.58234
   16    13 S   C    _CD1    16     1.51804   112.21098   173.01798
   17    16 S   O    _OE1    17     1.22718   123.25441     8.15201
   18    16 S   N    _N2_    18     1.38644   111.67249  -171.86431
   19    18 S   H    _HN2    19     1.01575   118.89493     1.69962
   20    18 S   CT1  _CA2    20     1.46200   123.44411   176.87632
   21    20 S   HC   _HA2    21     1.09602   109.37960     3.70296
   22    20 S   C    _C2_    22     1.53581   108.31732  -111.42223
   23    22 S   O    _O2_    23     1.23049   122.36506  -145.62211
   24    20 S   CTL  _CB2    32     1.53292   111.54037   126.45818
   25    24 S   HC   HB21    33     1.09665   109.65037    58.87974
   26    24 S   HC   HB22    34     1.09554   111.16490   176.17091
   27    22 S   N    _N3_    24     1.38364   113.65357    41.57734
   28    27 S   H    _HN3    25     1.01571   119.59002    -2.69856
   29    24 S   S    _SG2    35     1.82961   114.23034   -60.73087
   30    27 S   CT   _CA3    26     1.45278   123.22025   177.31278
   31    30 S   HC   HA31    27     1.09548   107.45101   -66.13494
   32    30 S   HC   HA32    28     1.09556   108.05882    50.31641
   33    29 S   S    _S1_    36     2.05667   103.03478   -66.60219
   34    30 S   CO3  _C3_    29     1.52963   114.08137   172.35774
   35    34 S   O2Z  _O31    30     1.26376   116.09388    -0.98059
   36    34 S   O2Z  _O32    31     1.26433   114.40941   179.10453
   37    33 S   CTL  _C15    37     1.82987   101.86725   -82.17921
   38    37 S   HC   _H18    38     1.09503   108.54746    56.57444
   39    37 S   HC   _H19    39     1.09531   107.88210   -60.01020
   40    37 S   CT1  _C14    40     1.53599   112.68780   178.62855
   41    40 S   HC   _H5_    41     1.09852   107.52529   178.56960
   42    40 S   CO3  _C16    42     1.54456   111.28511   -65.78694
   43    42 S   O2Z  _O40    43     1.26421   115.74584   126.14988
   44    42 S   O2Z  _O39    44     1.26470   115.06569   -54.67793
   45    40 S   N    _N6_    45     1.46442   112.09014    62.36192
   46    45 S   H    _H17    46     1.01649   116.83198  -106.13288
   47    45 S   C    _C13    47     1.38595   123.39028    74.96988
   48    47 S   O    _O38    48     1.22995   124.35193    -1.20317
   49    47 S   CT1  _C10    49     1.53019   112.50358  -178.76774
   50    49 S   HC   _H4_    50     1.09640   108.38073   -39.38379
   51    49 S   CT   _C11    51     1.52644   109.98934    82.29086
   52    51 S   HC   _H15    52     1.09829   109.87095    67.71640
   53    51 S   HC   _H16    53     1.09781   109.80484   -49.01793
   54    49 S   N    _N5_    57     1.45780   106.73996  -156.41054
   55    54 S   H    _H14    58     1.01530   117.60186   -79.55956
   56    51 S   CO3  _C12    54     1.53144   115.81251  -169.19782
   57    56 S   O2Z  _O37    55     1.26527   114.05785  -166.39741
   58    56 S   O2Z  _O36    56     1.26104   116.67168    14.61600
   59    54 S   C    _C9_    59     1.38533   122.68905    93.12753
   60    59 S   O    _O35    60     1.23046   124.75141     4.82020
   61    59 S   CT1  _C5_    61     1.53146   112.99215  -174.48566
   62    61 S   HC   _H3_    62     1.09534   111.04736    13.20342
   63    61 S   CTJ  _C6_    63     1.53914   110.04435  -108.55747
   64    63 S   HC   _H10    64     1.09825   109.86201   -49.69136
   65    63 S   HC   _H11    65     1.09794   109.69627  -166.29070
   66    61 S   NT   _N4_    72     1.47412   108.19902   133.00239
   67    66 S   H    _H9_    73     1.02025   109.50878    50.94972
   68    63 S   CTI  _C7_    66     1.52982   113.52732    71.58811
   69    68 S   HC   _H12    67     1.09768   108.15456  -172.05507
   70    68 S   HC   _H13    68     1.09610   110.13101   -56.09431
   71    66 S   CT   _C4_    74     1.45675   112.59028   -71.67992
   72    71 S   HC   _H6_    75     1.09476   111.20506   -58.73500
   73    71 S   HC   _H7_    76     1.09450   109.22915  -177.02619
   74    71 S   HC   _H8_    77     1.09439   112.18782    63.73526
   75    68 S   CO3  _C8_    69     1.53290   116.50684    68.64028
   76    75 S   O2Z  _O34    70     1.26438   114.32903  -162.87480
   77    75 S   O2Z  _O33    71     1.26168   116.43679    17.75709
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   7   2   1   1  10   5   4   9   6   5   2   1   7   3  10   4
  12   7   8   5   4   8   3   2   1   1  10   4  14   7  11   6
   5   6   4   5   4   3   3   2   1   1   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    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    45  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47  
   39    40    41    42    45  
   40    41    42    45  
   41    42    43    44    45    46    47    48    49  
   42    43    44    45    46    47  
   43    44    45    46    47  
   44    45  
   45  
   46    47    48    49    50    51    54  
   47    48    49  
   48    49    50    51    52    53    56    54    55    59  
   49    50    51    54  
   50    51    52    53    56    57    58    54    55    59    60    61  
   51    52    53    56    54    55    59  
   52    53    56    57    58    54    55    59  
   53    56    57    58    54  
   56    57    58    54  
   55    59    60    61    62    63    66    56  
   59    60    61  
   57    58  
   58  
    0  
   60    61    62    63    64    65    68    66    67    71  
   61    62    63    66  
   62    63    64    65    68    69    70    75    66    67    71    72    73    74  
   63    64    65    68    66    67    71  
   64    65    68    69    70    75    76    77    66    67    71  
   65    68    69    70    75    66  
   68    69    70    75    66  
   67    71    72    73    74    68  
   71    72    73    74  
   69    70    75    76    77  
   70    75    76    77  
   75    76    77  
   72    73    74  
   73    74  
   74  
    0  
   76    77  
   77  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   0.097500   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   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   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   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.3000   0.1700  -0.702500   1.8650   1.6500   0.051222218  -2.220205820
   67   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660   0.020000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   268.000  1.529
   40    41   340.000  1.090
   40    42   317.000  1.522
   40    45   337.000  1.449
   42    43   656.000  1.250
   42    44   656.000  1.250
   45    46   434.000  1.010
   45    47   490.000  1.335
   47    48   570.000  1.229
   47    49   317.000  1.522
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   337.000  1.449
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    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   268.000  1.529
   61    66   305.000  1.457
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    75   317.000  1.522
   75    76   656.000  1.250
   75    77   656.000  1.250
   66    67   434.000  1.010
   66    71   382.000  1.448
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   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    50.00000  114.70000
   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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    35.00000  109.50000
   33    37    40    50.00000  114.70000
   37    40    41    37.50000  110.70000
   37    40    42    63.00000  111.10000
   37    40    45    80.00000  109.70000
   39    37    38    33.00000  107.80000
   40    37    38    37.50000  110.70000
   40    37    39    37.50000  110.70000
   40    42    43    70.00000  117.00000
   40    42    44    70.00000  117.00000
   40    45    46    38.00000  118.40000
   40    45    47    50.00000  121.90000
   42    40    41    35.00000  109.50000
   44    42    43    80.00000  126.00000
   45    40    41    35.00000  109.50000
   45    40    42    63.00000  110.10000
   45    47    48    80.00000  122.90000
   45    47    49    70.00000  116.60000
   47    45    46    35.00000  119.80000
   47    49    50    35.00000  109.50000
   47    49    51    63.00000  111.10000
   47    49    54    63.00000  110.10000
   49    47    48    80.00000  120.40000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    56    63.00000  111.10000
   49    54    55    38.00000  118.40000
   49    54    59    50.00000  121.90000
   51    49    50    37.50000  110.70000
   51    56    57    70.00000  117.00000
   51    56    58    70.00000  117.00000
   53    51    52    33.00000  107.80000
   56    51    52    35.00000  109.50000
   56    51    53    35.00000  109.50000
   58    56    57    80.00000  126.00000
   54    49    50    35.00000  109.50000
   54    49    51    80.00000  109.70000
   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    63.00000  111.10000
   59    61    66    75.00000  111.54000
   61    59    60    80.00000  120.40000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    68    58.35000  112.70000
   61    66    67    50.00000  111.55300
   61    66    71    51.80000  107.20000
   63    61    62    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    75    63.00000  111.10000
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   68    75    76    70.00000  117.00000
   68    75    77    70.00000  117.00000
   70    68    69    33.00000  107.80000
   75    68    69    35.00000  109.50000
   75    68    70    35.00000  109.50000
   77    75    76    80.00000  126.00000
   66    61    62    50.00000  109.55000
   66    61    63    80.00000  111.22000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   71    66    67    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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   0.22600  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  -3.70700 -1.0 2.0
   24    29    33    37   0.85250  1.0 3.0
   25    24    29    33   0.27900  1.0 3.0
   26    24    29    33   0.27900  1.0 3.0
   29    33    37    38   0.27900  1.0 3.0
   29    33    37    39   0.27900  1.0 3.0
   29    33    37    40   0.97050  1.0 1.0
   29    33    37    40  -0.41800 -1.0 2.0
   29    33    37    40   0.46750  1.0 3.0
   33    37    40    41   0.22600  1.0 3.0
   33    37    40    42  -2.17200  1.0 1.0
   33    37    40    42  -0.85700 -1.0 2.0
   33    37    40    45   0.71400  1.0 1.0
   33    37    40    45   0.04300 -1.0 2.0
   33    37    40    45   0.01450  1.0 3.0
   37    40    42    43   0.00000  1.0 1.0
   37    40    42    44   0.00000  1.0 1.0
   37    40    45    46   0.00000  1.0 1.0
   37    40    45    47   0.25950  1.0 1.0
   37    40    45    47   0.43850 -1.0 2.0
   37    40    45    47   2.61650  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    42  -0.03800  1.0 3.0
   38    37    40    45   0.23200  1.0 3.0
   39    37    40    41   0.15000  1.0 3.0
   39    37    40    42  -0.03800  1.0 3.0
   39    37    40    45   0.23200  1.0 3.0
   40    45    47    48   3.04450 -1.0 2.0
   40    45    47    49   1.15000  1.0 1.0
   40    45    47    49   3.04450 -1.0 2.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    47   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    47  -0.29800  1.0 1.0
   42    40    45    47   0.13950 -1.0 2.0
   42    40    45    47  -2.45650  1.0 3.0
   45    40    42    43   0.00000  1.0 1.0
   45    40    42    44   0.00000  1.0 1.0
   45    47    49    50   0.00000  1.0 1.0
   45    47    49    51   0.93250  1.0 1.0
   45    47    49    51   0.04450 -1.0 2.0
   45    47    49    51   0.17550  1.0 3.0
   45    47    49    54   0.37150  1.0 1.0
   45    47    49    54   1.25400 -1.0 2.0
   45    47    49    54  -0.40250  1.0 3.0
   46    45    47    48   2.45000 -1.0 2.0
   46    45    47    49   2.45000 -1.0 2.0
   47    49    51    52  -0.03800  1.0 3.0
   47    49    51    53  -0.03800  1.0 3.0
   47    49    51    56  -2.38700  1.0 1.0
   47    49    51    56   1.51550 -1.0 2.0
   47    49    54    55   0.00000  1.0 1.0
   47    49    54    59  -0.29800  1.0 1.0
   47    49    54    59   0.13950 -1.0 2.0
   47    49    54    59  -2.45650  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.00000  1.0 1.0
   48    47    49    54   0.00000  1.0 1.0
   49    51    56    57   0.27300 -1.0 2.0
   49    51    56    58   0.27300 -1.0 2.0
   49    54    59    60   3.04450 -1.0 2.0
   49    54    59    61   1.15000  1.0 1.0
   49    54    59    61   3.04450 -1.0 2.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    59   0.00000  1.0 1.0
   51    49    54    55   0.00000  1.0 1.0
   51    49    54    59   0.25950  1.0 1.0
   51    49    54    59   0.43850 -1.0 2.0
   51    49    54    59   2.61650  1.0 3.0
   52    51    56    57   0.00000  1.0 1.0
   52    51    56    58   0.00000  1.0 1.0
   53    51    56    57   0.00000  1.0 1.0
   53    51    56    58   0.00000  1.0 1.0
   54    49    51    52   0.23200  1.0 3.0
   54    49    51    53   0.23200  1.0 3.0
   54    49    51    56  -4.72850  1.0 1.0
   54    49    51    56  -0.07700 -1.0 2.0
   54    49    51    56  -0.12650  1.0 3.0
   54    59    61    62   0.00000  1.0 1.0
   54    59    61    63   0.93250  1.0 1.0
   54    59    61    63   0.04450 -1.0 2.0
   54    59    61    63   0.17550  1.0 3.0
   54    59    61    66   0.00000  1.0 1.0
   55    54    59    60   2.45000 -1.0 2.0
   55    54    59    61   2.45000 -1.0 2.0
   59    61    63    64  -0.03800  1.0 3.0
   59    61    63    65  -0.03800  1.0 3.0
   59    61    63    68  -0.76350  1.0 1.0
   59    61    63    68   1.70300 -1.0 2.0
   59    61    66    67   0.21900  1.0 1.0
   59    61    66    67  -0.24900 -1.0 2.0
   59    61    66    67   0.15200  1.0 3.0
   59    61    66    71  -1.76800  1.0 1.0
   59    61    66    71   1.02600 -1.0 2.0
   59    61    66    71   0.19700  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    66   0.30150 -1.0 2.0
   61    63    68    69   0.15000  1.0 3.0
   61    63    68    70   0.15000  1.0 3.0
   61    63    68    75  -1.59250  1.0 1.0
   61    63    68    75  -0.41250 -1.0 2.0
   61    63    68    75   0.24650  1.0 3.0
   61    66    71    72   0.28000  1.0 3.0
   61    66    71    73   0.28000  1.0 3.0
   61    66    71    74   0.28000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    68   0.15000  1.0 3.0
   62    61    66    67   0.20000  1.0 3.0
   62    61    66    71   0.28000  1.0 3.0
   63    61    66    67  -0.05950  1.0 1.0
   63    61    66    67   0.08850 -1.0 2.0
   63    61    66    67   0.11750  1.0 3.0
   63    61    66    71   0.23450  1.0 1.0
   63    61    66    71   0.02050 -1.0 2.0
   63    61    66    71   0.25250  1.0 3.0
   63    68    75    76   0.27300 -1.0 2.0
   63    68    75    77   0.27300 -1.0 2.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    75  -0.11250  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.15000  1.0 3.0
   65    63    68    75  -0.11250  1.0 3.0
   69    68    75    76   0.00000  1.0 1.0
   69    68    75    77   0.00000  1.0 1.0
   70    68    75    76   0.00000  1.0 1.0
   70    68    75    77   0.00000  1.0 1.0
   66    61    63    64   0.15000  1.0 3.0
   66    61    63    65   0.15000  1.0 3.0
   66    61    63    68   1.53400  1.0 1.0
   66    61    63    68  -0.09950 -1.0 2.0
   66    61    63    68   0.05700  1.0 3.0
   67    66    71    72   0.20000  1.0 3.0
   67    66    71    73   0.20000  1.0 3.0
   67    66    71    74   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
   43    40    42    44  10.50000 -1.0 2.0
   46    47    45    40   1.00000 -1.0 2.0
   45    49    47    48  10.50000 -1.0 2.0
   57    51    56    58  10.50000 -1.0 2.0
   55    59    54    49   1.00000 -1.0 2.0
   54    61    59    60  10.50000 -1.0 2.0
   76    68    75    77  10.50000 -1.0 2.0
END
