* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    136    220     408
    1     0 S   NP   _N1_     1    28.75127    94.57513   -21.82417
    2     1 S   H    _HN1     2     1.02774    95.74286   -74.99261
    3     1 S   H    _H1_     3     1.02953    85.12607    33.05792
    4     1 S   H    _H2_     4     1.02827    30.63791   169.06699
    5     1 S   CT   _CA1     5     1.50165   140.16205   149.32366
    6     5 S   HC   _HA1     6     1.09572   105.14188    69.78467
    7     5 S   CO3  _C1_     7     1.53775   112.54657   -50.24462
    8     7 S   O2Z  _O11     8     1.26374   115.00425   -37.13627
    9     7 S   O2Z  _O12     9     1.26249   115.01847   141.98942
   10     5 S   CT   _CB1    10     1.53103   107.38309  -172.23744
   11    10 S   HC   HB11    11     1.09822   109.26847   -48.90030
   12    10 S   HC   HB12    12     1.09820   110.42693    67.69534
   13    10 S   CT   _CG1    13     1.52975   112.73084  -169.96607
   14    13 S   HC   HG11    14     1.09533   110.45689   -66.45146
   15    13 S   HC   HG12    15     1.09667   109.93871    52.72695
   16    13 S   C    _CD1    16     1.51833   112.41934   172.93770
   17    16 S   O    _OE1    17     1.22718   123.33149    -0.29541
   18    16 S   N    _N2_    18     1.38614   111.57221  -180.00000
   19    18 S   H    _HN2    19     1.01599   118.87849     0.37949
   20    18 S   CT1  _CA2    20     1.46304   123.52543   178.51154
   21    20 S   HC   _HA2    21     1.09739   109.39295   -11.14906
   22    20 S   C    _C2_    22     1.53396   108.18170  -126.58553
   23    22 S   O    _O2_    23     1.23018   122.43116  -147.30980
   24    20 S   CT   _CB2    32     1.53412   111.31036   111.18452
   25    24 S   HC   HB21    33     1.09307   109.23600    54.31449
   26    24 S   HC   HB22    34     1.09500   110.59232   172.71320
   27    22 S   N    _N3_    24     1.38381   113.40352    40.17098
   28    27 S   H    _HN3    25     1.01648   119.49406    -3.60163
   29    24 S   S    _SG2    35     1.82944   110.90327   -68.48896
   30    27 S   CT   _CA3    26     1.45286   123.12698   176.96675
   31    30 S   HC   HA31    27     1.09552   107.53602   -63.52869
   32    30 S   HC   HA32    28     1.09558   107.93417    52.87590
   33    29 S   CT   _C16    36     1.88273   102.57624   152.67317
   34    30 S   CO3  _C3_    29     1.52935   114.13451   174.84718
   35    34 S   O2Z  _O31    30     1.26366   116.05567    -0.89766
   36    34 S   O2Z  _O32    31     1.26429   114.41220   179.15791
   37    33 S   CT   _C12    37     1.54021   108.77899   -71.24995
   38    37 S   HC   _H27    38     1.09312   111.19738   169.89351
   39    37 S   HC   _H28    39     1.09608   110.43337    54.11517
   40    33 S   CT   _C14    51     1.54907   106.77570   168.67653
   41    40 S   HC   _H31    52     1.10250   105.78635   -43.75640
   42    37 S   CA   _C8_    40     1.50681   113.80132   -69.10830
   43    40 S   CO   _C17    53     1.55515   115.57845  -160.06956
   44    42 S   CA   _C5_    41     1.40528   118.25107   156.67979
   45    44 S   HA   _H25    42     1.08778   120.29892    -0.82020
   46    43 S   OS   _O20    54     1.42916   110.97231    44.50434
   47    43 S   CT   _C18    66     1.53186   116.37727   -81.89949
   48    47 S   HC   _H33    67     1.09742   109.70053  -179.43076
   49    47 S   HC   _H34    68     1.08944   113.78801    61.88367
   50    47 S   HC   _H35    69     1.09501   111.76921   -61.71041
   51    43 S   OH   _O22    70     1.43981   108.39518   161.45943
   52    51 S   HO   _H39    71     0.97105   108.09288   -42.12441
   53    44 S   CA   _C4_    43     1.39262   120.85499   179.54458
   54    53 S   HA   _H24    44     1.08639   120.11037   179.38261
   55    46 S   CT   _C15    55     1.42708   115.57394   -54.91554
   56    55 S   HC   _H32    56     1.09381   110.10808   -59.04954
   57    53 S   CA   _C6_    45     1.38997   119.84895    -0.32385
   58    57 S   HA   _H26    46     1.08691   119.60166   179.59458
   59    33 S   CT   _C13    57     1.54230   108.84209    50.71540
   60    59 S   HC   _H29    58     1.09917   109.11572    45.63986
   61    59 S   HC   _H30    59     1.09630   110.95358   -72.45051
   62    55 S   CT   _C19    60     1.53014   107.47995  -177.78194
   63    62 S   HC   _H36    61     1.09778   109.66808   -49.81529
   64    62 S   HC   _H37    62     1.09711   109.83525  -168.16674
   65    57 S   CA   _C9_    47     1.39491   119.92178    -0.46182
   66    62 S   CO3  _C11    63     1.53370   115.33999    71.78154
   67    66 S   O2Z  _O17    64     1.26539   114.04055  -165.14525
   68    66 S   O2Z  _O19    65     1.26136   116.71957    15.76907
   69    42 S   CA   _C7_    48     1.40371   122.38678   -25.07000
   70    65 S   OH   _O21    72     1.36949   115.65269  -179.61184
   71    70 S   HO   _H38    73     0.97367   108.82721   179.83098
   72    69 S   CO4  _C10    49     1.49047   119.65216     0.53229
   73    72 S   O    _O18    50     1.23007   119.75159  -179.46186
  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
  20   2   1   1  16   6   5  18   8  11  14   8   4  16   7   3
   2   1   3   1   6   3  10   7   6   3   7   2   1   5   4   3
   5   2   1   1   4   2   1   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    40    59    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    72    40    41    43    55    59    60    61  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    44    69    72    73    40    41    43    46    55    56    59    60    61    62    47    51  
   35    36  
   36  
    0  
   38    39    42    44    45    53    65    69    72    40    41    43    55    59    60    61  
   39    42    44    69    40    59  
   42    44    69    40    59  
   41    43    46    55    59    60    61    47    48    49    50    51    52    42    65    69    72    73  
   43    46    59    47    51    69    72    73  
   44    45    53    54    57    65    69    72    73    59    70  
   46    55    56    59    62    47    48    49    50    51    52    69    72    73  
   45    53    54    57    58    65    69    72  
   53    54    57    69  
   55    56    59    60    61    62    63    64    66    47    48    49    50    51    52    72  
   48    49    50    51    52    55    72  
   49    50    51  
   50    51  
   51  
   52    55    72  
    0  
   54    57    58    65    69    70  
   57    58    65  
   56    59    60    61    62    63    64    66    67    68  
   59    60    61    62    63    64    66  
   58    65    69    72    70    71  
   65    69    70  
   60    61    62    63    64    66    72  
   61    62  
   62  
   63    64    66    67    68  
   64    66    67    68  
   66    67    68  
   69    72    73    70    71  
   67    68  
   68  
    0  
   72    73    70    71  
   71    72  
    0  
   73  
    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  -0.005000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   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   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    59   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.510
   42    44   469.000  1.400
   42    69   469.000  1.400
   44    45   367.000  1.080
   44    53   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   57    65   469.000  1.400
   65    69   469.000  1.400
   65    70   450.000  1.364
   69    72   310.000  1.470
   72    73   570.000  1.229
   72    40   317.000  1.522
   40    41   340.000  1.090
   40    43   250.000  1.527
   43    46   320.000  1.380
   43    47   250.000  1.527
   43    51   380.000  1.407
   46    55   320.000  1.410
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   317.000  1.522
   66    67   656.000  1.250
   66    68   656.000  1.250
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   553.000  0.945
   70    71   553.000  0.945
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    40    75.00000  111.63000
   29    33    59    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    70.00000  112.17500
   33    40    72    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    43    75.00000  109.43000
   33    59    55    58.35000  112.70000
   33    59    60    37.50000  110.70000
   33    59    61    37.50000  110.70000
   37    42    44    70.00000  120.00000
   37    42    69    70.00000  120.00000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    44    45    35.00000  120.00000
   42    44    53    63.00000  120.00000
   42    69    65    63.00000  120.00000
   42    69    72    60.00000  119.52600
   44    53    54    35.00000  120.00000
   44    53    57    63.00000  120.00000
   53    44    45    35.00000  120.00000
   53    57    58    35.00000  120.00000
   53    57    65    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    65    69    63.00000  120.00000
   57    65    70    70.00000  120.00000
   65    57    58    35.00000  120.00000
   65    69    72    60.00000  119.52600
   65    70    71    35.00000  113.00000
   69    42    44    63.00000  120.00000
   69    72    73    75.00000  123.78400
   69    72    40    65.00000  115.47100
   72    40    41    35.00000  109.50000
   72    40    43    63.00000  111.10000
   40    33    37    58.35000  112.70000
   40    72    73    80.00000  120.40000
   40    43    46    90.00000  108.56700
   40    43    47    65.00000  112.71400
   40    43    51    90.00000  110.19100
   43    40    41    45.00000  108.72000
   43    46    55    60.00000  109.50000
   43    47    48    45.00000  108.72000
   43    47    49    45.00000  108.72000
   43    47    50    45.00000  108.72000
   43    51    52    70.00000  107.92000
   46    55    56    35.00000  109.50000
   46    55    59    50.00000  109.50000
   46    55    62    50.00000  109.50000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    66    70.00000  109.69300
   59    33    37    58.35000  112.70000
   59    33    40    58.35000  112.70000
   59    55    56    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    59    58.35000  112.70000
   62    66    67    70.00000  117.00000
   62    66    68    70.00000  117.00000
   64    62    63    33.00000  107.80000
   66    62    63    35.00000  109.50000
   66    62    64    35.00000  109.50000
   68    66    67    80.00000  126.00000
   47    43    46    90.00000  108.56700
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    43    46   110.00000  112.08000
   51    43    47    90.00000  110.19100
   70    65    69    70.00000  120.00000
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    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
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    40    72   0.56750  1.0 1.0
   29    33    40    72  -0.07550 -1.0 2.0
   29    33    40    72   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    59    55   0.44750  1.0 1.0
   29    33    59    55  -0.17800 -1.0 2.0
   29    33    59    55   0.20200  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    61   0.15000  1.0 3.0
   33    37    42    44   0.04150 -1.0 2.0
   33    37    42    69   0.04150 -1.0 2.0
   33    40    43    46   0.62750  1.0 1.0
   33    40    43    46  -0.30950 -1.0 2.0
   33    40    43    46   0.27300  1.0 3.0
   33    40    43    47   0.56750  1.0 1.0
   33    40    43    47  -0.07550 -1.0 2.0
   33    40    43    47   0.20000  1.0 3.0
   33    40    43    51   0.86500  1.0 1.0
   33    40    43    51  -0.17500 -1.0 2.0
   33    40    43    51   0.20800  1.0 3.0
   37    33    40    72  -0.95700  1.0 1.0
   37    33    40    72  -0.18200 -1.0 2.0
   37    33    40    72   0.29450  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    43   3.97050  1.0 1.0
   37    33    59    55   0.56750  1.0 1.0
   37    33    59    55  -0.07550 -1.0 2.0
   37    33    59    55   0.20000  1.0 3.0
   37    33    59    60   0.15000  1.0 3.0
   37    33    59    61   0.15000  1.0 3.0
   37    42    44    45   3.62500 -1.0 2.0
   37    42    44    53   3.62500 -1.0 2.0
   37    42    69    65   3.62500 -1.0 2.0
   37    42   -69    72   3.62500 -1.0 2.0
   38    37    42    44   0.00000  1.0 1.0
   38    37    42    69   0.00000  1.0 1.0
   39    37    42    44   0.00000  1.0 1.0
   39    37    42    69   0.00000  1.0 1.0
   42    44    53    54   3.62500 -1.0 2.0
   42    44    53    57   3.62500 -1.0 2.0
   42    69    72    73   1.05000 -1.0 2.0
   42    69    72    40   2.26350  1.0 1.0
   42    69    72    40   0.76750 -1.0 2.0
   42    69    72    40   0.22500  1.0 3.0
   44    42    69    65   3.62500 -1.0 2.0
   44    42    69    72   3.62500 -1.0 2.0
   44    53    57    58   3.62500 -1.0 2.0
   44    53   -57    65   3.62500 -1.0 2.0
   45    44    53    54   3.62500 -1.0 2.0
   45    44    53    57   3.62500 -1.0 2.0
   53    57    65    69   3.62500 -1.0 2.0
   53    57    65    70   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   54    53    57    65   3.62500 -1.0 2.0
   57    65   -69    42   3.62500 -1.0 2.0
   57    65    69    72   3.62500 -1.0 2.0
   57    65    70    71   0.84100 -1.0 2.0
   58    57    65    69   3.62500 -1.0 2.0
   58    57    65    70   3.62500 -1.0 2.0
   65    69    72    73   1.05000 -1.0 2.0
   65    69    72    40   2.26350  1.0 1.0
   65    69    72    40   0.76750 -1.0 2.0
   65    69    72    40   0.22500  1.0 3.0
   69    42    44    45   3.62500 -1.0 2.0
   69    42   -44    53   3.62500 -1.0 2.0
   69    65    70    71   0.84100 -1.0 2.0
   69    72   -40    33   0.05850 -1.0 2.0
   69    72   -40    33   0.17250  1.0 3.0
   69    72    40    41   0.00000  1.0 1.0
   69    72    40    43   0.05850 -1.0 2.0
   69    72    40    43   0.17250  1.0 3.0
   72    40    43    46  -0.09450  1.0 1.0
   72    40    43    46  -1.12950 -1.0 2.0
   72    40    43    46   0.54000  1.0 3.0
   72    40    43    47  -0.95700  1.0 1.0
   72    40    43    47  -0.18200 -1.0 2.0
   72    40    43    47   0.29450  1.0 3.0
   72    40    43    51  -0.09450  1.0 1.0
   72    40    43    51  -1.12950 -1.0 2.0
   72    40    43    51   0.54000  1.0 3.0
   73    72    40    33   0.30150 -1.0 2.0
   73    72    40    41   0.00000  1.0 1.0
   73    72    40    43   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    42  -0.03700  1.0 1.0
   40    33   -37    42   0.37200 -1.0 2.0
   40    33   -37    42  -0.47300  1.0 3.0
   40    33    59    55   0.56750  1.0 1.0
   40    33    59    55  -0.07550 -1.0 2.0
   40    33    59    55   0.20000  1.0 3.0
   40    33    59    60   0.15000  1.0 3.0
   40    33    59    61   0.15000  1.0 3.0
   40    43   -46    55   0.06250  1.0 1.0
   40    43   -46    55  -0.01100 -1.0 2.0
   40    43   -46    55   0.28050  1.0 3.0
   40    43    47    48   0.15000  1.0 3.0
   40    43    47    49   0.15000  1.0 3.0
   40    43    47    50   0.15000  1.0 3.0
   40    43    51    52  -0.11600  1.0 1.0
   40    43    51    52  -0.09450 -1.0 2.0
   40    43    51    52   0.21250  1.0 3.0
   41    40    43    46   0.23400  1.0 3.0
   41    40    43    47   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   43    46    55    56   0.37050  1.0 3.0
   43    46    55    59   0.06250  1.0 1.0
   43    46    55    59  -0.01100 -1.0 2.0
   43    46    55    59   0.28050  1.0 3.0
   43    46    55    62   0.06250  1.0 1.0
   43    46    55    62  -0.01100 -1.0 2.0
   43    46    55    62   0.28050  1.0 3.0
   46    43    47    48   0.23400  1.0 3.0
   46    43    47    49   0.23400  1.0 3.0
   46    43    47    50   0.23400  1.0 3.0
   46    43    51    52  -0.50000  1.0 1.0
   46    43    51    52  -0.73950 -1.0 2.0
   46    43    51    52   0.17150  1.0 3.0
   46    55   -59    33   0.62750  1.0 1.0
   46    55   -59    33  -0.30950 -1.0 2.0
   46    55   -59    33   0.27300  1.0 3.0
   46    55    59    60   0.23400  1.0 3.0
   46    55    59    61   0.23400  1.0 3.0
   46    55    62    63   0.23400  1.0 3.0
   46    55    62    64   0.23400  1.0 3.0
   46    55    62    66  -3.35100  1.0 1.0
   46    55    62    66  -0.37050 -1.0 2.0
   46    55    62    66   0.22400  1.0 3.0
   55    62    66    67   0.41150 -1.0 2.0
   55    62    66    68   0.41150 -1.0 2.0
   56    55    59    33   0.15000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    66  -0.11250  1.0 3.0
   59    33    37    38   0.15000  1.0 3.0
   59    33    37    39   0.15000  1.0 3.0
   59    33    37    42  -0.03700  1.0 1.0
   59    33    37    42   0.37200 -1.0 2.0
   59    33    37    42  -0.47300  1.0 3.0
   59    33    40    72  -0.95700  1.0 1.0
   59    33    40    72  -0.18200 -1.0 2.0
   59    33    40    72   0.29450  1.0 3.0
   59    33    40    41   0.15000  1.0 3.0
   59    33   -40    43   3.97050  1.0 1.0
   59    55    62    63   0.15000  1.0 3.0
   59    55    62    64   0.15000  1.0 3.0
   59    55    62    66  -1.63150  1.0 1.0
   59    55    62    66  -0.43550 -1.0 2.0
   59    55    62    66   0.24500  1.0 3.0
   62    55    59    33   0.56750  1.0 1.0
   62    55    59    33  -0.07550 -1.0 2.0
   62    55    59    33   0.20000  1.0 3.0
   62    55    59    60   0.15000  1.0 3.0
   62    55    59    61   0.15000  1.0 3.0
   63    62    66    67   0.00000  1.0 1.0
   63    62    66    68   0.00000  1.0 1.0
   64    62    66    67   0.00000  1.0 1.0
   64    62    66    68   0.00000  1.0 1.0
   47    43    46    55   0.06250  1.0 1.0
   47    43    46    55  -0.01100 -1.0 2.0
   47    43    46    55   0.28050  1.0 3.0
   47    43    51    52  -0.11600  1.0 1.0
   47    43    51    52  -0.09450 -1.0 2.0
   47    43    51    52   0.21250  1.0 3.0
   51    43    46    55  -0.81800  1.0 1.0
   51    43    47    48   0.23400  1.0 3.0
   51    43    47    49   0.23400  1.0 3.0
   51    43    47    50   0.23400  1.0 3.0
   70    65    69    42   3.62500 -1.0 2.0
   70    65    69    72   3.62500 -1.0 2.0
IPHI
    9     5     7     8  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
   36    30    34    35  10.50000 -1.0 2.0
   44    69    42    37   4.00000 -1.0 2.0
   53    45    44    42   1.10000 -1.0 2.0
   57    54    53    44   1.10000 -1.0 2.0
   65    58    57    53   1.10000 -1.0 2.0
   69    70    65    57   4.00000 -1.0 2.0
   65    72    69    42   4.00000 -1.0 2.0
   69    40    72    73  10.50000 -1.0 2.0
   67    62    66    68  10.50000 -1.0 2.0
END
