* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    128    217     384
    1     0 S   NP   _N1_     1    28.60377    96.07931   -23.13223
    2     1 S   H    _HN1     2     1.02828    36.68389   166.07069
    3     1 S   H    _H1_     3     1.02787   103.04838   -91.40732
    4     1 S   H    _H2_     4     1.02949    74.56710    14.35314
    5     1 S   CT   _CA1     5     1.50118   139.69534   117.85366
    6     5 S   HC   _HA1     6     1.09573   105.18770    87.69927
    7     5 S   CO3  _C1_     7     1.53785   112.47028   -32.53047
    8     7 S   O2Z  _O11     8     1.26374   115.00525   -42.31401
    9     7 S   O2Z  _O12     9     1.26239   114.94544   136.79566
   10     5 S   CT   _CB1    10     1.53075   107.41744  -154.31465
   11    10 S   HC   HB11    11     1.09834   109.36448   -49.60533
   12    10 S   HC   HB12    12     1.09812   110.45168    67.00142
   13    10 S   CT   _CG1    13     1.52994   112.61397  -170.57421
   14    13 S   HC   HG11    14     1.09580   110.65183   -65.99635
   15    13 S   HC   HG12    15     1.09671   109.77082    53.24175
   16    13 S   C    _CD1    16     1.51799   112.18588   173.69970
   17    16 S   O    _OE1    17     1.22733   123.27774     7.94905
   18    16 S   N    _N2_    18     1.38649   111.70345  -172.15993
   19    18 S   H    _HN2    19     1.01585   118.91318     1.68945
   20    18 S   CT1  _CA2    20     1.46192   123.36834   177.28567
   21    20 S   HC   _HA2    21     1.09732   109.44982     3.53191
   22    20 S   C    _C2_    22     1.53565   108.41957  -112.04865
   23    22 S   O    _O2_    23     1.23058   122.28428  -146.15605
   24    20 S   CT   _CB2    32     1.53489   111.64378   125.69807
   25    24 S   HC   HB21    33     1.09341   109.23786    56.66101
   26    24 S   HC   HB22    34     1.09359   109.41579   175.65648
   27    22 S   N    _N3_    24     1.38322   113.68316    41.11765
   28    27 S   H    _HN3    25     1.01582   119.60714    -3.10110
   29    24 S   S    _SG2    35     1.82891   111.19141   -64.37015
   30    27 S   CT   _CA3    26     1.45291   123.22186   177.27739
   31    30 S   HC   HA31    27     1.09548   107.48933   -65.13824
   32    30 S   HC   HA32    28     1.09556   108.01187    51.30879
   33    29 S   CT   _C12    36     1.92648   102.73273  -179.85873
   34    30 S   CO3  _C3_    29     1.52968   114.06569   173.31382
   35    34 S   O2Z  _O31    30     1.26377   116.05888    -0.92957
   36    34 S   O2Z  _O32    31     1.26425   114.41912   179.13725
   37    33 S   CA   _C14    37     1.56700   111.40178   173.10107
   38    33 S   CO4  _C13    56     1.53629   100.47010   -69.06112
   39    38 S   O    _O33    57     1.23244   121.11382   -70.61049
   40    37 S   CA   _C19    38     1.42579   122.08176   146.87733
   41    38 S   CA   _C8_    58     1.48916   120.08029   107.53539
   42    40 S   CA   _C18    39     1.40543   121.79557  -169.20216
   43    41 S   CA   _C9_    59     1.39851   120.66541     4.29468
   44    42 S   CA   _C17    40     1.39418   119.73638    -7.16454
   45    42 S   CO4  _C23    48     1.47666   119.08672   171.68934
   46    45 S   O    _O35    49     1.22482   122.05139   172.06863
   47    43 S   CA   _C4_    60     1.40445   120.40236  -179.44362
   48    47 S   HA   _H3_    61     1.08732   120.64777  -179.96574
   49    43 S   CO4  _C10    70     1.47071   122.04406     0.68099
   50    49 S   O    _O40    71     1.22378   121.76721   178.32602
   51    44 S   CA   _C16    41     1.38679   119.80397    -0.91493
   52    51 S   HA   _H5_    42     1.08741   119.38988  -176.56852
   53    44 S   OH   _O37    46     1.36725   123.81272  -179.39187
   54    53 S   HO   _H7_    47     0.97403   108.95612     0.65909
   55    45 S   CM   _C22    50     1.47601   117.22340   -10.98380
   56    55 S   HC   _H6_    51     1.08707   115.58645  -163.05340
   57    47 S   CA   _C5_    62     1.39136   119.90466     0.06853
   58    33 S   CO4  _C11    72     1.51028   106.46317    53.86464
   59    58 S   O    _O39    73     1.22637   124.54109    72.62797
   60    37 S   CA   _C15    43     1.41461   122.63401   -34.06656
   61    55 S   CMA  _C21    52     1.34286   123.91417    18.31190
   62    61 S   OM   _O36    53     1.26094   130.15084   179.17031
   63    57 S   CA   _C6_    63     1.38735   120.57104    -0.15066
   64    63 S   HA   _H4_    64     1.08678   120.23803  -179.82086
   65    57 S   OH   _O42    68     1.36579   121.16312   179.87180
   66    65 S   HO   _H10    69     0.97244   108.71622     0.72281
   67    60 S   OH   _O38    44     1.37119   120.71635   -10.41567
   68    67 S   HO   _H8_    45     0.97182   109.68949  -179.02281
   69    40 S   CO4  _C20    54     1.48210   122.29321    18.65615
   70    69 S   O    _O34    55     1.22743   119.04683    34.14465
   71    41 S   CA   _C7_    65     1.40802   120.79723  -175.34566
   72    71 S   OH   _O41    66     1.37021   123.65111    -0.53522
   73    72 S   HO   _H9_    67     0.97379   108.90463    -6.05683
  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  10   5   4   3
  16   2   1   1  18  12   4  14  12  13  11  10   8   3  10   4
   5   2   6   3   2   1   5   3   6   2   1   3   3   2   6   3
   2   1   1   1   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    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    60    38    39    41    49    58    59  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    42    51    60    67    69    38    39    41    43    71    49    50    58    59  
   35    36  
   36  
    0  
   40    42    44    51    52    60    67    68    45    61    69    70    38    39    41    49    58    59  
   39    41    43    47    63    71    72    49    58    59    40    60  
   41    43    71    58  
   42    44    51    60    67    53    45    46    55    61    62    69    70    58  
   43    47    48    57    63    64    71    72    73    49    50    58  
   44    51    52    60    53    54    45    46    55    56    61    69    70  
   47    48    57    63    71    72    65    49    50    58    59  
   51    52    60    67    53    54    45    46    55    69  
   46    55    56    61    62    69    51    53  
   55    56    61  
   48    57    63    64    71    65    66    49    50    58  
   57    63    65    49  
   50    58    59    57    71  
   58    59  
   52    60    67    68    53    54  
   60    67    53  
   54    60  
    0  
   56    61    62    69    70  
   61    62    69  
   63    64    71    72    65    66  
   59    60  
    0  
   67    68    69  
   62    69    70  
   69    70  
   64    71    72    73    65    66  
   71    72    65  
   66    71  
    0  
   68  
    0  
   70  
    0  
   72    73  
   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   0.282500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   45   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   62   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   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    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   317.000  1.510
   33    38   317.000  1.522
   33    58   317.000  1.522
   37    40   469.000  1.400
   37    60   469.000  1.400
   40    42   469.000  1.400
   40    69   310.000  1.470
   42    44   469.000  1.400
   42    45   310.000  1.470
   44    51   469.000  1.400
   44    53   450.000  1.364
   51    52   367.000  1.080
   51    60   469.000  1.400
   60    67   450.000  1.364
   67    68   553.000  0.945
   53    54   553.000  0.945
   45    46   570.000  1.229
   45    55   320.000  1.462
   55    56   340.000  1.080
   55    61   465.000  1.376
   61    62   745.000  1.250
   61    69   270.000  1.476
   69    70   570.000  1.229
   38    39   570.000  1.229
   38    41   310.000  1.470
   41    43   469.000  1.400
   41    71   469.000  1.400
   43    47   469.000  1.400
   43    49   310.000  1.470
   47    48   367.000  1.080
   47    57   469.000  1.400
   57    63   469.000  1.400
   57    65   450.000  1.364
   63    64   367.000  1.080
   63    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   65    66   553.000  0.945
   49    50   570.000  1.229
   49    58   250.000  1.523
   58    59   570.000  1.229
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    80.00000  109.48900
   29    33    38    75.00000  110.18000
   29    33    58    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    60    70.00000  120.00000
   33    38    39    80.00000  120.40000
   33    38    41    65.00000  115.47100
   33    58    49    65.00000  115.45000
   33    58    59    80.00000  120.40000
   37    40    42    63.00000  120.00000
   37    40    69    60.00000  119.52600
   37    60    51    63.00000  120.00000
   37    60    67    70.00000  120.00000
   40    42    44    63.00000  120.00000
   40    42    45    60.00000  119.52600
   40    69    61    60.00000  117.44000
   40    69    70    75.00000  123.78400
   42    44    51    63.00000  120.00000
   42    44    53    70.00000  120.00000
   42    45    46    75.00000  123.78400
   42    45    55    65.00000  117.02400
   44    51    52    35.00000  120.00000
   44    51    60    63.00000  120.00000
   44    53    54    35.00000  113.00000
   51    60    67    70.00000  120.00000
   60    37    40    63.00000  120.00000
   60    51    52    35.00000  120.00000
   60    67    68    35.00000  113.00000
   53    44    51    70.00000  120.00000
   45    42    44    60.00000  119.52600
   45    55    56    40.00000  117.72500
   45    55    61    60.00000  125.92000
   55    45    46    80.00000  123.72100
   55    61    62    65.00000  137.10300
   55    61    69    65.00000  114.61000
   61    55    56    40.00000  120.50800
   61    69    70    80.00000  120.81000
   69    40    42    60.00000  119.52600
   69    61    62    85.00000  116.28000
   38    33    37    70.00000  110.93000
   38    41    43    60.00000  119.52600
   38    41    71    60.00000  119.52600
   41    38    39    75.00000  123.78400
   41    43    47    63.00000  120.00000
   41    43    49    60.00000  119.52600
   41    71    63    63.00000  120.00000
   41    71    72    70.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    57    63.00000  120.00000
   43    49    50    75.00000  123.78400
   43    49    58    60.00000  117.28700
   47    57    63    63.00000  120.00000
   47    57    65    70.00000  120.00000
   57    47    48    35.00000  120.00000
   57    63    64    35.00000  120.00000
   57    63    71    63.00000  120.00000
   57    65    66    35.00000  113.00000
   63    71    72    70.00000  120.00000
   71    41    43    63.00000  120.00000
   71    63    64    35.00000  120.00000
   71    72    73    35.00000  113.00000
   65    57    63    70.00000  120.00000
   49    43    47    60.00000  119.52600
   49    58    59    80.00000  119.30300
   58    33    37    70.00000  110.93000
   58    33    38    75.00000  107.99600
   58    49    50    80.00000  119.30300
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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    60  -0.16000  1.0 1.0
   29    33    37    60  -0.03200 -1.0 2.0
   29    33    37    60   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    41   0.65300  1.0 1.0
   29    33    38    41  -0.03850 -1.0 2.0
   29    33    38    41   0.33900  1.0 3.0
   29    33    58    49   0.65300  1.0 1.0
   29    33    58    49  -0.03850 -1.0 2.0
   29    33    58    49   0.33900  1.0 3.0
   29    33    58    59   0.30150 -1.0 2.0
   33    37    40    42   3.62500 -1.0 2.0
   33    37    40    69   3.62500 -1.0 2.0
   33    37    60    51   3.62500 -1.0 2.0
   33    37    60    67   3.62500 -1.0 2.0
   33    38    41    43   2.26350  1.0 1.0
   33    38    41    43   0.76750 -1.0 2.0
   33    38    41    43   0.22500  1.0 3.0
   33    38    41    71   2.26350  1.0 1.0
   33    38    41    71   0.76750 -1.0 2.0
   33    38    41    71   0.22500  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    41   0.65300  1.0 1.0
   37    33    38    41  -0.03850 -1.0 2.0
   37    33    38    41   0.33900  1.0 3.0
   37    33    58    49   0.65300  1.0 1.0
   37    33    58    49  -0.03850 -1.0 2.0
   37    33    58    49   0.33900  1.0 3.0
   37    33    58    59   0.30150 -1.0 2.0
   37    40    42    44   3.62500 -1.0 2.0
   37    40    42    45   3.62500 -1.0 2.0
   37    40    69    61  -0.11500  1.0 1.0
   37    40    69    61   1.10450 -1.0 2.0
   37    40    69    61  -0.48050  1.0 3.0
   37    40    69    70   1.05000 -1.0 2.0
   37    60    67    68   0.84100 -1.0 2.0
   40    37    60    51   3.62500 -1.0 2.0
   40    37    60    67   3.62500 -1.0 2.0
   40    42   -44    51   3.62500 -1.0 2.0
   40    42    44    53   3.62500 -1.0 2.0
   40    42    45    46   1.05000 -1.0 2.0
   40    42    45    55  -0.11500  1.0 1.0
   40    42    45    55   1.10450 -1.0 2.0
   40    42    45    55  -0.48050  1.0 3.0
   42    40    69    61  -0.11500  1.0 1.0
   42    40    69    61   1.10450 -1.0 2.0
   42    40    69    61  -0.48050  1.0 3.0
   42    40    69    70   1.05000 -1.0 2.0
   42    44    51    52   3.62500 -1.0 2.0
   42    44    51    60   3.62500 -1.0 2.0
   42    44    53    54   0.84100 -1.0 2.0
   42    45    55    56   1.64500 -1.0 2.0
   42    45   -55    61  -1.65800  1.0 1.0
   42    45   -55    61   0.77650 -1.0 2.0
   44    42    45    46   1.05000 -1.0 2.0
   44    42    45    55  -0.11500  1.0 1.0
   44    42    45    55   1.10450 -1.0 2.0
   44    42    45    55  -0.48050  1.0 3.0
   44    51   -60    37   3.62500 -1.0 2.0
   44    51    60    67   3.62500 -1.0 2.0
   51    44    53    54   0.84100 -1.0 2.0
   51    60    67    68   0.84100 -1.0 2.0
   52    51    60    37   3.62500 -1.0 2.0
   52    51    60    67   3.62500 -1.0 2.0
   60    37   -40    42   3.62500 -1.0 2.0
   60    37    40    69   3.62500 -1.0 2.0
   53    44    51    52   3.62500 -1.0 2.0
   53    44    51    60   3.62500 -1.0 2.0
   45    42    44    51   3.62500 -1.0 2.0
   45    42    44    53   3.62500 -1.0 2.0
   45    55    61    62   7.00000 -1.0 2.0
   45    55    61    69   7.00000 -1.0 2.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    61   1.00000 -1.0 2.0
   55    61   -69    40  -1.65800  1.0 1.0
   55    61   -69    40   0.77650 -1.0 2.0
   55    61    69    70   1.00000 -1.0 2.0
   56    55    61    62   7.00000 -1.0 2.0
   56    55    61    69   7.00000 -1.0 2.0
   62    61    69    40   1.50000 -1.0 2.0
   62    61    69    70  -0.11900  1.0 1.0
   62    61    69    70   0.76850 -1.0 2.0
   62    61    69    70   0.14100  1.0 3.0
   69    40    42    44   3.62500 -1.0 2.0
   69    40   -42    45   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    60   0.04300 -1.0 2.0
   38    33    58    49   0.65300  1.0 1.0
   38    33    58    49  -0.03850 -1.0 2.0
   38    33    58    49   0.33900  1.0 3.0
   38    33    58    59   0.30150 -1.0 2.0
   38    41    43    47   3.62500 -1.0 2.0
   38    41   -43    49   3.62500 -1.0 2.0
   38    41    71    63   3.62500 -1.0 2.0
   38    41    71    72   3.62500 -1.0 2.0
   39    38    41    43   1.05000 -1.0 2.0
   39    38    41    71   1.05000 -1.0 2.0
   41    43    47    48   3.62500 -1.0 2.0
   41    43    47    57   3.62500 -1.0 2.0
   41    43    49    50   1.05000 -1.0 2.0
   41    43    49    58   0.56600 -1.0 2.0
   41    71    72    73   0.84100 -1.0 2.0
   43    41    71    63   3.62500 -1.0 2.0
   43    41    71    72   3.62500 -1.0 2.0
   43    47   -57    63   3.62500 -1.0 2.0
   43    47    57    65   3.62500 -1.0 2.0
   43    49   -58    33   0.43900  1.0 1.0
   43    49   -58    33  -0.18150 -1.0 2.0
   43    49   -58    33  -0.03650  1.0 3.0
   43    49    58    59   0.03000  1.0 1.0
   43    49    58    59   0.58800 -1.0 2.0
   43    49    58    59   0.15550  1.0 3.0
   47    43    49    50   1.05000 -1.0 2.0
   47    43    49    58   0.56600 -1.0 2.0
   47    57    63    64   3.62500 -1.0 2.0
   47    57    63    71   3.62500 -1.0 2.0
   47    57    65    66   0.84100 -1.0 2.0
   48    47    57    63   3.62500 -1.0 2.0
   48    47    57    65   3.62500 -1.0 2.0
   57    63   -71    41   3.62500 -1.0 2.0
   57    63    71    72   3.62500 -1.0 2.0
   63    57    65    66   0.84100 -1.0 2.0
   63    71    72    73   0.84100 -1.0 2.0
   64    63    71    41   3.62500 -1.0 2.0
   64    63    71    72   3.62500 -1.0 2.0
   71    41   -43    47   3.62500 -1.0 2.0
   71    41    43    49   3.62500 -1.0 2.0
   65    57    63    64   3.62500 -1.0 2.0
   65    57    63    71   3.62500 -1.0 2.0
   49    43    47    48   3.62500 -1.0 2.0
   49    43    47    57   3.62500 -1.0 2.0
   50    49    58    33   0.49600 -1.0 2.0
   50    49    58    59   0.06100 -1.0 2.0
   58    33    37    40   0.04300 -1.0 2.0
   58    33    37    60   0.04300 -1.0 2.0
   58    33    38    39   0.30150 -1.0 2.0
   58    33   -38    41   0.65300  1.0 1.0
   58    33   -38    41  -0.03850 -1.0 2.0
   58    33   -38    41   0.33900  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
   40    60    37    33   4.00000 -1.0 2.0
   42    69    40    37   4.00000 -1.0 2.0
   44    45    42    40   4.00000 -1.0 2.0
   51    53    44    42   4.00000 -1.0 2.0
   60    52    51    44   1.10000 -1.0 2.0
   51    67    60    37   4.00000 -1.0 2.0
   42    55    45    46  10.50000 -1.0 2.0
   45    56    55    61   1.10000 -1.0 2.0
   69    62    61    55   1.10000 -1.0 2.0
   40    61    69    70  10.50000 -1.0 2.0
   33    41    38    39  10.50000 -1.0 2.0
   43    71    41    38   4.00000 -1.0 2.0
   47    49    43    41   4.00000 -1.0 2.0
   57    48    47    43   1.10000 -1.0 2.0
   63    65    57    47   4.00000 -1.0 2.0
   71    64    63    57   1.10000 -1.0 2.0
   63    72    71    41   4.00000 -1.0 2.0
   43    58    49    50  10.50000 -1.0 2.0
   33    49    58    59  10.50000 -1.0 2.0
END
