* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    129    217     385
    1     0 S   NP   _N1_     1    30.15406    93.36607   -17.72884
    2     1 S   H    _HN1     2     1.03127   114.86834     9.04540
    3     1 S   H    _H1_     3     1.02974   111.62576   131.77573
    4     1 S   H    _H2_     4     1.02783    11.77547    62.55792
    5     1 S   CT   _CA1     5     1.49857    99.68531  -111.22461
    6     5 S   HC   _HA1     6     1.09584   105.28893    60.44487
    7     5 S   CO3  _C1_     7     1.53757   112.50977   -59.78194
    8     7 S   O2Z  _O11     8     1.26333   115.21492   -50.77992
    9     7 S   O2Z  _O12     9     1.26290   114.88308   128.60637
   10     5 S   CT   _CB1    10     1.52970   107.35133   178.04796
   11    10 S   HC   HB11    11     1.09804   109.21731   -54.50775
   12    10 S   HC   HB12    12     1.09801   110.26127    61.60074
   13    10 S   CT   _CG1    13     1.53104   112.83868  -175.62588
   14    13 S   HC   HG11    14     1.09577   111.18976   -69.58561
   15    13 S   HC   HG12    15     1.09609   110.55912    49.80174
   16    13 S   C    _CD1    16     1.51395   110.54683   169.39806
   17    16 S   O    _OE1    17     1.22824   121.68272  -107.69217
   18    16 S   N    _N2_    18     1.38393   112.87555    71.54754
   19    18 S   H    _HN2    19     1.01554   119.22427     4.69131
   20    18 S   CT1  _CA2    20     1.46187   123.30519  -173.40929
   21    20 S   HC   _HA2    21     1.09739   109.26542    -0.99288
   22    20 S   C    _C2_    22     1.53388   108.99700  -116.95600
   23    22 S   O    _O2_    23     1.23047   122.22282  -146.29385
   24    20 S   CT   _CB2    32     1.53663   111.27553   120.32186
   25    24 S   HC   HB21    33     1.09523   109.45218    61.33507
   26    24 S   HC   HB22    34     1.09433   109.59050  -179.89532
   27    22 S   N    _N3_    24     1.38510   113.58297    41.18576
   28    27 S   H    _HN3    25     1.01500   118.95258    -0.33630
   29    24 S   S    _SG2    35     1.83442   110.96482   -59.49941
   30    27 S   CT   _CA3    26     1.45421   123.27179   175.56765
   31    30 S   HC   HA31    27     1.09539   109.00320    28.71334
   32    30 S   HC   HA32    28     1.09492   107.16956   145.62970
   33    29 S   CT   _C23    36     1.86137   102.49118   178.98896
   34    33 S   OM   _O39    37     1.32089   109.87628   -55.66324
   35    30 S   CO3  _C3_    29     1.52922   113.32233   -94.64068
   36    35 S   O2Z  _O31    30     1.26387   115.49006   -44.04454
   37    35 S   O2Z  _O32    31     1.26374   114.94656   136.98326
   38    33 S   CO4  _C22    38     1.52530   105.88052    62.79567
   39    38 S   O    _O38    39     1.23230   124.57759  -104.32043
   40    33 S   CT   _C14    51     1.59164   114.42010  -179.08979
   41    40 S   HC   _H3_    52     1.10619   104.48372   176.58476
   42    38 S   CM   _C17    40     1.49364   115.34158    72.93120
   43    40 S   CM   _C12    53     1.58674   112.74162    62.02601
   44    42 S   CM   _C18    41     1.34204   116.34603  -148.94557
   45    44 S   HC   _H6_    42     1.08462   123.07252     1.00619
   46    43 S   CO4  _C13    54     1.50589   112.77620    96.77188
   47    46 S   O    _O34    55     1.22778   122.42102    12.33969
   48    44 S   CO4  _C19    43     1.48035   120.50050  -178.63556
   49    48 S   O    _O37    44     1.22631   121.20835  -179.04900
   50    46 S   CA   _C8_    56     1.46746   119.11385  -167.41527
   51    48 S   CM   _C20    45     1.47853   117.62539     1.43463
   52    51 S   HC   _H7_    46     1.08389   117.41476   178.67559
   53    50 S   CA   _C9_    57     1.37959   119.25607   -13.54086
   54    51 S   CM   _C21    47     1.33870   120.93899    -1.51865
   55    53 S   CA   _C4_    58     1.41180   120.06592  -178.47171
   56    55 S   HA   _H4_    59     1.09183   118.82704   179.42393
   57    53 S   CO4  _C10    67     1.47031   120.64545     1.47565
   58    57 S   O    _O33    68     1.23199   117.90293  -172.02445
   59    42 S   CM   _C16    48     1.46595   121.15487    31.39018
   60    55 S   CA   _C5_    60     1.41148   123.52271    -0.76974
   61    60 S   OM   _O42    61     1.27653   122.79087  -179.50584
   62    43 S   CMA  _C11    69     1.36212   125.98227   -84.86620
   63    62 S   OM   _O40    70     1.26598   130.33926    -0.59380
   64    54 S   OH   _O36    71     1.38463   118.52295  -179.16961
   65    64 S   HO   _H8_    72     0.97572   107.56704   179.01245
   66    59 S   CMA  _C15    49     1.36813   120.42235     0.44367
   67    66 S   OM   _O35    50     1.26933   128.87149   167.28170
   68    60 S   CA   _C6_    62     1.40828   114.29132     0.47147
   69    68 S   HA   _H5_    63     1.09147   119.03558   179.97202
   70    50 S   CA   _C7_    64     1.39802   122.28309   167.58224
   71    70 S   OH   _O41    65     1.37037   123.37893    -1.44076
   72    71 S   HO   _H9_    66     0.97429   108.48746     1.46714
  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   9   5   4   3
  13   7   2   1   1  11   4  13   6  10  12   8   4  11   4   6
   3  12   6   3  11   5   9   4   5   2   4   5   3   2   1   2
   1   1   1   4   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    66    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    44    59    66    67    40    41    43    46    62  
   38    39    42    66    40    41    43  
   36    37  
   37  
    0  
   39    42    44    45    48    54    59    66    40    41    43  
   42    44    59    40  
   41    43    46    47    50    57    62    63    42    54    59    66    67  
   43    46    62    59    66    67  
   44    45    48    49    51    54    59    66    67    64  
   46    47    50    53    70    57    58    62    63    59    66    67  
   45    48    49    51    52    54    59    66  
   48    49    51    59  
   47    50    53    55    68    70    71    57    62    63    66  
   50    53    70    62  
   49    51    52    54    59    64  
   51    52    54  
   53    55    56    60    68    69    70    71    72    57    58    62  
   52    54    59    66    64    65  
   54    59    64  
   55    56    60    61    68    70    71    57    58    62    63  
   59    66    67    64    65  
   56    60    61    68    69    70    57    58    62  
   60    61    68    57  
   58    62    63    60    70  
   62    63  
   66    67    64    65  
   61    68    69    70    71  
   68    69    70  
   63    66  
    0  
   65    66  
    0  
   67  
    0  
   69    70    71    72  
   70    71  
   71    72  
   72  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   62   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   63   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   64   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   67   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   320.000  1.462
   42    44   549.000  1.340
   42    59   380.000  1.444
   44    45   340.000  1.080
   44    48   320.000  1.462
   48    49   570.000  1.229
   48    51   320.000  1.462
   51    52   340.000  1.080
   51    54   549.000  1.340
   54    59   380.000  1.444
   54    64   510.000  1.338
   59    66   465.000  1.376
   66    67   745.000  1.250
   66    40   270.000  1.512
   40    41   340.000  1.090
   40    43   317.000  1.510
   43    46   320.000  1.462
   43    62   465.000  1.376
   46    47   570.000  1.229
   46    50   310.000  1.470
   50    53   469.000  1.400
   50    70   469.000  1.400
   53    55   469.000  1.400
   53    57   310.000  1.470
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   450.000  1.364
   60    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   57    58   570.000  1.229
   57    62   270.000  1.476
   62    63   745.000  1.250
   64    65   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  118.62400
   33    40    66    70.00000  112.02700
   33    40    41    37.50000  110.70000
   33    40    43    70.00000  112.02700
   38    33    34    90.00000  108.74100
   38    42    44    65.00000  118.96000
   38    42    59    65.00000  118.96000
   42    38    39    80.00000  123.72100
   42    44    45    35.00000  120.00000
   42    44    48    65.00000  118.96000
   42    59    54    70.00000  123.01800
   42    59    66    70.00000  117.34000
   44    48    49    80.00000  123.72100
   44    48    51    65.00000  118.65900
   48    44    45    40.00000  117.72500
   48    51    52    40.00000  117.72500
   48    51    54    65.00000  118.96000
   51    48    49    80.00000  123.72100
   51    54    59    70.00000  123.01800
   51    54    64    80.00000  121.38400
   54    51    52    35.00000  120.00000
   54    59    66    70.00000  117.34000
   54    64    65    70.00000  107.45700
   59    42    44    70.00000  123.01800
   59    66    67    65.00000  137.10300
   59    66    40    65.00000  122.18000
   66    40    41    45.00000  110.52000
   66    40    43    70.00000  110.12100
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    66    67    85.00000  112.85300
   40    43    46    65.00000  116.34900
   40    43    62    70.00000  124.00000
   43    40    41    35.00000  109.50000
   43    46    47    80.00000  123.72100
   43    46    50    65.00000  117.02400
   43    62    57    65.00000  114.61000
   43    62    63    65.00000  137.10300
   46    50    53    60.00000  119.52600
   46    50    70    60.00000  119.52600
   50    46    47    75.00000  123.78400
   50    53    55    63.00000  120.00000
   50    53    57    60.00000  119.52600
   50    70    68    63.00000  120.00000
   50    70    71    70.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    60    63.00000  120.00000
   53    57    58    75.00000  123.78400
   53    57    62    60.00000  117.44000
   55    60    61    70.00000  120.00000
   55    60    68    63.00000  120.00000
   60    55    56    35.00000  120.00000
   60    68    69    35.00000  120.00000
   60    68    70    63.00000  120.00000
   68    60    61    70.00000  120.00000
   68    70    71    70.00000  120.00000
   70    50    53    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  113.00000
   57    53    55    60.00000  119.52600
   57    62    63    85.00000  116.28000
   62    43    46    60.00000  125.92000
   62    57    58    80.00000  120.81000
   64    54    59    80.00000  121.38400
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    66   0.56750  1.0 1.0
   29    33    40    66  -0.07550 -1.0 2.0
   29    33    40    66   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    44  -0.33500  1.0 1.0
   33    38    42    44   1.06600 -1.0 2.0
   33    38    42    44  -0.14000  1.0 3.0
   33    38    42    59  -0.33500  1.0 1.0
   33    38    42    59   1.06600 -1.0 2.0
   33    38    42    59  -0.14000  1.0 3.0
   33    40    43    46   0.09700  1.0 1.0
   33    40    43    46   0.15600 -1.0 2.0
   33    40    43    46  -0.50800  1.0 3.0
   33    40    43    62   0.09850  1.0 1.0
   33    40    43    62   0.15250 -1.0 2.0
   33    40    43    62  -0.50650  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.65300  1.0 1.0
   34    33    38    42  -0.03850 -1.0 2.0
   34    33    38    42   0.33900  1.0 3.0
   34    33    40    66   0.61850  1.0 1.0
   34    33    40    66  -0.22750 -1.0 2.0
   34    33    40    66   0.15300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    43   0.61850  1.0 1.0
   34    33    40    43  -0.22750 -1.0 2.0
   34    33    40    43   0.15300  1.0 3.0
   38    33    40    66  -0.98800  1.0 1.0
   38    33    40    66   0.48800 -1.0 2.0
   38    33    40    66   0.76800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.98800  1.0 1.0
   38    33    40    43   0.48800 -1.0 2.0
   38    33    40    43   0.76800  1.0 3.0
   38    42    44    45   7.00000 -1.0 2.0
   38    42    44    48   7.00000 -1.0 2.0
   38    42    59    54  -0.18600  1.0 3.0
   38    42   -59    66  -0.18600  1.0 3.0
   39    38    42    44   1.00000 -1.0 2.0
   39    38    42    59   1.00000 -1.0 2.0
   42    44    48    49   1.00000 -1.0 2.0
   42    44    48    51  -1.18350  1.0 1.0
   42    44    48    51   1.45950 -1.0 2.0
   42    59    66    67   7.00000 -1.0 2.0
   42    59    66    40   7.00000 -1.0 2.0
   44    42    59    54   0.28850  1.0 1.0
   44    42    59    54   2.61350 -1.0 2.0
   44    42    59    54   0.78400  1.0 3.0
   44    42    59    66   0.28850  1.0 1.0
   44    42    59    66   2.61350 -1.0 2.0
   44    42    59    66   0.78400  1.0 3.0
   44    48    51    52   0.93700 -1.0 2.0
   44    48   -51    54  -1.18350  1.0 1.0
   44    48   -51    54   1.45950 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    51   0.93700 -1.0 2.0
   48    51    54    59   7.00000 -1.0 2.0
   48    51    54    64   7.00000 -1.0 2.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    54   1.00000 -1.0 2.0
   51    54   -59    42   0.28850  1.0 1.0
   51    54   -59    42   2.61350 -1.0 2.0
   51    54   -59    42   0.78400  1.0 3.0
   51    54    59    66   0.28850  1.0 1.0
   51    54    59    66   2.61350 -1.0 2.0
   51    54    59    66   0.78400  1.0 3.0
   51    54    64    65  -0.66100  1.0 1.0
   51    54    64    65   1.20850 -1.0 2.0
   51    54    64    65  -0.36000  1.0 3.0
   52    51    54    59   7.00000 -1.0 2.0
   52    51    54    64   7.00000 -1.0 2.0
   54    59    66    67   7.00000 -1.0 2.0
   54    59    66    40   7.00000 -1.0 2.0
   59    42    44    45   7.00000 -1.0 2.0
   59    42   -44    48   7.00000 -1.0 2.0
   59    54    64    65  -0.66100  1.0 1.0
   59    54    64    65   1.20850 -1.0 2.0
   59    54    64    65  -0.36000  1.0 3.0
   59    66   -40    33   0.09850  1.0 1.0
   59    66   -40    33   0.15250 -1.0 2.0
   59    66   -40    33  -0.50650  1.0 3.0
   59    66    40    41   0.00000  1.0 1.0
   59    66    40    43  -0.28300  1.0 1.0
   59    66    40    43   0.26700 -1.0 2.0
   59    66    40    43  -0.63300  1.0 3.0
   66    40    43    46   0.09700  1.0 1.0
   66    40    43    46   0.15600 -1.0 2.0
   66    40    43    46  -0.50800  1.0 3.0
   66    40    43    62  -0.28300  1.0 1.0
   66    40    43    62   0.26700 -1.0 2.0
   66    40    43    62  -0.63300  1.0 3.0
   67    66    40    33   0.09700  1.0 1.0
   67    66    40    33   0.15600 -1.0 2.0
   67    66    40    33  -0.50800  1.0 3.0
   67    66    40    41   0.00000  1.0 1.0
   67    66    40    43   0.09700  1.0 1.0
   67    66    40    43   0.15600 -1.0 2.0
   67    66    40    43  -0.50800  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.65300  1.0 1.0
   40    33   -38    42  -0.03850 -1.0 2.0
   40    33   -38    42   0.33900  1.0 3.0
   40    43    46    47  -0.64400  1.0 1.0
   40    43    46    47   0.26850 -1.0 2.0
   40    43    46    50   1.50000 -1.0 2.0
   40    43    62    57   7.00000 -1.0 2.0
   40    43    62    63   7.00000 -1.0 2.0
   41    40    43    46   0.15000  1.0 3.0
   41    40    43    62   0.00000  1.0 1.0
   43    46    50    53  -0.11500  1.0 1.0
   43    46    50    53   1.10450 -1.0 2.0
   43    46    50    53  -0.48050  1.0 3.0
   43    46    50    70  -0.11500  1.0 1.0
   43    46    50    70   1.10450 -1.0 2.0
   43    46    50    70  -0.48050  1.0 3.0
   46    43    62    57   7.00000 -1.0 2.0
   46    43    62    63   7.00000 -1.0 2.0
   46    50    53    55   3.62500 -1.0 2.0
   46    50   -53    57   3.62500 -1.0 2.0
   46    50    70    68   3.62500 -1.0 2.0
   46    50    70    71   3.62500 -1.0 2.0
   47    46    50    53   1.05000 -1.0 2.0
   47    46    50    70   1.05000 -1.0 2.0
   50    53    55    56   3.62500 -1.0 2.0
   50    53    55    60   3.62500 -1.0 2.0
   50    53    57    58   1.05000 -1.0 2.0
   50    53    57    62  -0.11500  1.0 1.0
   50    53    57    62   1.10450 -1.0 2.0
   50    53    57    62  -0.48050  1.0 3.0
   50    70    71    72   0.84100 -1.0 2.0
   53    50    70    68   3.62500 -1.0 2.0
   53    50    70    71   3.62500 -1.0 2.0
   53    55    60    61   3.62500 -1.0 2.0
   53    55   -60    68   3.62500 -1.0 2.0
   53    57   -62    43  -1.65800  1.0 1.0
   53    57   -62    43   0.77650 -1.0 2.0
   53    57    62    63   1.50000 -1.0 2.0
   55    53    57    58   1.05000 -1.0 2.0
   55    53    57    62  -0.11500  1.0 1.0
   55    53    57    62   1.10450 -1.0 2.0
   55    53    57    62  -0.48050  1.0 3.0
   55    60    68    69   3.62500 -1.0 2.0
   55    60    68    70   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    68   3.62500 -1.0 2.0
   60    68   -70    50   3.62500 -1.0 2.0
   60    68    70    71   3.62500 -1.0 2.0
   61    60    68    69   3.62500 -1.0 2.0
   61    60    68    70   3.62500 -1.0 2.0
   68    70    71    72   0.84100 -1.0 2.0
   69    68    70    50   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   70    50   -53    55   3.62500 -1.0 2.0
   70    50    53    57   3.62500 -1.0 2.0
   57    53    55    56   3.62500 -1.0 2.0
   57    53    55    60   3.62500 -1.0 2.0
   58    57    62    43   1.00000 -1.0 2.0
   58    57    62    63  -0.11900  1.0 1.0
   58    57    62    63   0.76850 -1.0 2.0
   58    57    62    63   0.14100  1.0 3.0
   62    43    46    47   1.00000 -1.0 2.0
   62    43   -46    50  -1.65800  1.0 1.0
   62    43   -46    50   0.77650 -1.0 2.0
   64    54    59    42   0.50950  1.0 1.0
   64    54    59    42   0.56650 -1.0 2.0
   64    54    59    42   0.34050  1.0 3.0
   64    54    59    66   0.50950  1.0 1.0
   64    54    59    66   0.56650 -1.0 2.0
   64    54    59    66   0.34050  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
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   38    59    42    44   1.10000 -1.0 2.0
   48    45    44    42   1.10000 -1.0 2.0
   44    51    48    49  10.50000 -1.0 2.0
   48    52    51    54   1.10000 -1.0 2.0
   59    64    54    51   1.10000 -1.0 2.0
   42    54    59    66   1.10000 -1.0 2.0
   40    67    66    59   1.10000 -1.0 2.0
   40    46    43    62   1.10000 -1.0 2.0
   43    50    46    47  10.50000 -1.0 2.0
   53    70    50    46   4.00000 -1.0 2.0
   55    57    53    50   4.00000 -1.0 2.0
   60    56    55    53   1.10000 -1.0 2.0
   68    61    60    55   4.00000 -1.0 2.0
   70    69    68    60   1.10000 -1.0 2.0
   68    71    70    50   4.00000 -1.0 2.0
   53    62    57    58  10.50000 -1.0 2.0
   57    63    62    43   1.10000 -1.0 2.0
END
