* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    129    203     383
    1     0 S   NP   _N1_     1    28.51647    99.23507   -19.73423
    2     1 S   H    _HN1     2     1.02835    58.85576   141.98608
    3     1 S   H    _H1_     3     1.02776    89.87737  -106.89078
    4     1 S   H    _H2_     4     1.02957    60.34373     4.41597
    5     1 S   CT   _CA1     5     1.50126   157.86163    74.78897
    6     5 S   HC   _HA1     6     1.09574   105.21522   116.68063
    7     5 S   CO3  _C1_     7     1.53787   112.39467    -3.51196
    8     7 S   O2Z  _O11     8     1.26365   114.99444   -43.21963
    9     7 S   O2Z  _O12     9     1.26238   114.93540   135.91491
   10     5 S   CT   _CB1    10     1.53101   107.42753  -125.39529
   11    10 S   HC   HB11    11     1.09826   109.33255   -50.48142
   12    10 S   HC   HB12    12     1.09817   110.42297    66.07872
   13    10 S   CT   _CG1    13     1.53012   112.66862  -171.55668
   14    13 S   HC   HG11    14     1.09595   110.48768   -64.46947
   15    13 S   HC   HG12    15     1.09658   109.91825    54.72736
   16    13 S   C    _CD1    16     1.51837   112.34491   175.10271
   17    16 S   O    _OE1    17     1.22743   123.30522     0.26393
   18    16 S   N    _N2_    18     1.38555   111.67602  -179.75611
   19    18 S   H    _HN2    19     1.01555   118.99096     4.61180
   20    18 S   CT1  _CA2    20     1.45873   122.92354   177.93844
   21    20 S   HC   _HA2    21     1.09720   109.02327    23.08904
   22    20 S   C    _C2_    22     1.52872   106.76140   -94.11526
   23    22 S   O    _O2_    23     1.22997   122.91608   -29.62374
   24    20 S   CT   _CB2    32     1.53338   112.12645   146.38380
   25    24 S   HC   HB21    33     1.09326   109.48252    54.95595
   26    24 S   HC   HB22    34     1.09385   109.44966   173.34480
   27    22 S   N    _N3_    24     1.38464   112.68007   153.17841
   28    27 S   H    _HN3    25     1.01671   120.39394    -1.67000
   29    24 S   S    _SG2    35     1.82878   110.41525   -66.83749
   30    27 S   CT   _CA3    26     1.45364   122.39381   178.69719
   31    30 S   HC   HA31    27     1.09572   107.59916   -59.94553
   32    30 S   HC   HA32    28     1.09571   107.78918    56.35165
   33    29 S   CT   _C15    36     1.86900   103.56944   168.70949
   34    30 S   CO3  _C3_    29     1.52880   114.41176   178.22568
   35    34 S   O2Z  _O31    30     1.26320   116.08049    -2.19660
   36    34 S   O2Z  _O32    31     1.26447   114.39860   177.84006
   37    33 S   CM   _C11    37     1.54845   113.95228   172.98460
   38    33 S   CT   _C18    60     1.56629   112.37434    46.92360
   39    38 S   HC   _H34    61     1.09659   109.70917   -54.65730
   40    38 S   HC   _H35    62     1.09806   108.67578  -168.28434
   41    37 S   CO4  _C10    38     1.52143   111.58501   169.64119
   42    41 S   O    _O19    39     1.22772   122.58464   131.74948
   43    37 S   CMA  _C12    54     1.36774   134.78645   -13.74744
   44    43 S   OM   _O17    55     1.26737   130.04470   174.06046
   45    38 S   CT   _C19    63     1.54348   116.94573    70.19858
   46    45 S   HC   _H36    64     1.09498   110.42181    51.20526
   47    41 S   CA   _C7_    40     1.47895   117.99922   -44.09976
   48    43 S   CT   _C16    56     1.52058   121.99030    -7.83744
   49    48 S   HC   _H29    57     1.09589   111.02040    81.49221
   50    48 S   HC   _H30    58     1.09465   111.38164   -42.29959
   51    48 S   HC   _H31    59     1.10060   113.17380  -158.96897
   52    45 S   CT   _C17    65     1.53203   110.28384   172.69148
   53    52 S   HC   _H32    66     1.09717   109.57460   -49.75867
   54    52 S   HC   _H33    67     1.09739   109.86708    68.65669
   55    45 S   OH   _O22    71     1.42415   109.67842   -67.89047
   56    55 S   HO   _H38    72     0.97509   106.62146   178.07970
   57    47 S   CA   _C8_    41     1.39732   119.24242    14.96890
   58    52 S   CO3  _C13    68     1.53370   115.34959  -170.73838
   59    58 S   O2Z  _O18    69     1.26206   116.41722   -16.17530
   60    58 S   O2Z  _O20    70     1.26492   114.22138   164.59186
   61    57 S   CA   _C5_    42     1.40544   119.27228  -179.86878
   62    61 S   HA   _H25    43     1.08781   120.16091   178.88618
   63    33 S   CT   _C14    51     1.56101   102.61605   -71.63911
   64    63 S   HC   _H27    52     1.09686   109.77079    72.39471
   65    63 S   HC   _H28    53     1.10027   110.48511   -45.90491
   66    61 S   CA   _C4_    44     1.39379   120.84888    -1.09932
   67    66 S   HA   _H24    45     1.08608   120.07077  -179.80021
   68    66 S   CA   _C6_    46     1.39061   119.82099     0.36530
   69    68 S   HA   _H26    47     1.08656   119.77990   179.94405
   70    47 S   CA   _C9_    48     1.40499   121.21975  -166.21757
   71    70 S   OH   _O21    49     1.36961   123.32745     0.98298
   72    71 S   HO   _H37    50     0.97450   108.64407    -2.44585
  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  12   5   4   3
  19   2   1   1  18  16   6   5  11   4   7   4  10   6  12   3
   2   1   1   7   5   4   2   1  10   2   1   1   9   4   4   1
   1   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    63    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    57    63    64    65    43    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    47    57    61    63    64    65    43    44    48    38    39    40    45    46    52    55  
   35    36  
   36  
    0  
   41    42    47    57    70    63    64    65    43    44    48    49    50    51    38    39    40    45  
   39    40    45    46    52    53    54    58    55    56    41    43    57    63    64    65  
   40    45    46    52    55    63  
   45    46    52    55    63  
   42    47    57    61    68    70    71    63    43    44    48  
   47    57    70    43  
   44    48    49    50    51    47    63  
   48    49    50    51  
   46    52    53    54    58    59    60    55    56    63  
   52    53    54    58    55    56  
   57    61    62    66    68    69    70    71    72    63    64    65  
   49    50    51  
   50    51  
   51  
    0  
   53    54    58    59    60    55    56  
   54    58    59    60    55  
   58    59    60    55  
   56    58  
    0  
   61    62    66    67    68    70    71    63    64    65  
   59    60  
   60  
    0  
   62    66    67    68    69    70    63    64    65  
   66    67    68    63  
   64    65    66    70  
   65  
    0  
   67    68    69    70    71  
   68    69    70  
   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  -0.335000   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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    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    63   268.000  1.529
   33    38   268.000  1.529
   37    41   320.000  1.462
   37    43   465.000  1.376
   41    42   570.000  1.229
   41    47   310.000  1.470
   47    57   469.000  1.400
   47    70   469.000  1.400
   57    61   469.000  1.400
   57    63   317.000  1.510
   61    62   367.000  1.080
   61    66   469.000  1.400
   66    67   367.000  1.080
   66    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
   63    64   340.000  1.090
   63    65   340.000  1.090
   43    44   745.000  1.250
   43    48   270.000  1.512
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   268.000  1.529
   45    46   340.000  1.090
   45    52   268.000  1.529
   45    55   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    58   317.000  1.522
   58    59   656.000  1.250
   58    60   656.000  1.250
   55    56   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  112.20000
   29    33    63    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    65.00000  116.34900
   33    37    43    70.00000  124.00000
   33    63    57    70.00000  112.17500
   33    63    64    37.50000  110.70000
   33    63    65    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    58.35000  112.70000
   37    41    42    80.00000  123.72100
   37    41    47    65.00000  117.02400
   37    43    44    65.00000  137.10300
   37    43    48    65.00000  122.18000
   41    47    57    60.00000  119.52600
   41    47    70    60.00000  119.52600
   47    41    42    75.00000  123.78400
   47    57    61    63.00000  120.00000
   47    57    63    70.00000  120.00000
   47    70    68    63.00000  120.00000
   47    70    71    70.00000  120.00000
   57    61    62    35.00000  120.00000
   57    61    66    63.00000  120.00000
   57    63    64    35.00000  109.50000
   57    63    65    35.00000  109.50000
   61    66    67    35.00000  120.00000
   61    66    68    63.00000  120.00000
   66    61    62    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    70.00000  120.00000
   70    47    57    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  113.00000
   63    33    37    70.00000  112.02700
   63    57    61    70.00000  120.00000
   65    63    64    33.00000  107.80000
   43    37    41    60.00000  125.92000
   43    48    49    45.00000  110.52000
   43    48    50    45.00000  110.52000
   43    48    51    45.00000  110.52000
   48    43    44    85.00000  112.85300
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    63    58.35000  112.70000
   38    45    46    37.50000  110.70000
   38    45    52    58.35000  112.70000
   38    45    55    50.00000  109.50000
   40    38    39    33.00000  107.80000
   45    38    39    37.50000  110.70000
   45    38    40    37.50000  110.70000
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   45    52    58    70.00000  109.69300
   45    55    56    55.00000  108.50000
   52    45    46    37.50000  110.70000
   52    58    59    70.00000  117.00000
   52    58    60    70.00000  117.00000
   54    52    53    33.00000  107.80000
   58    52    53    35.00000  109.50000
   58    52    54    35.00000  109.50000
   60    58    59    80.00000  126.00000
   55    45    46    35.00000  109.50000
   55    45    52    50.00000  109.50000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    63   0.01700  1.0 1.0
   24    29    33    63  -0.23550 -1.0 2.0
   24    29    33    63   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    63    57   0.56750  1.0 1.0
   29    33    63    57  -0.07550 -1.0 2.0
   29    33    63    57   0.20000  1.0 3.0
   29    33    63    64   0.15000  1.0 3.0
   29    33    63    65   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.44750  1.0 1.0
   29    33    38    45  -0.17800 -1.0 2.0
   29    33    38    45   0.20200  1.0 3.0
   33    37    41    42  -0.64400  1.0 1.0
   33    37    41    42   0.26850 -1.0 2.0
   33    37    41    47   1.50000 -1.0 2.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    48   7.00000 -1.0 2.0
   33    38    45    46   0.15000  1.0 3.0
   33    38    45    52   0.56750  1.0 1.0
   33    38    45    52  -0.07550 -1.0 2.0
   33    38    45    52   0.20000  1.0 3.0
   33    38    45    55   0.86500  1.0 1.0
   33    38    45    55  -0.17500 -1.0 2.0
   33    38    45    55   0.20800  1.0 3.0
   37    33    63    57   0.21200  1.0 1.0
   37    33    63    57   0.16900 -1.0 2.0
   37    33    63    57  -1.15100  1.0 3.0
   37    33    63    64   0.15000  1.0 3.0
   37    33    63    65   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.34400  1.0 1.0
   37    33    38    45   0.09450 -1.0 2.0
   37    33    38    45   0.11100  1.0 3.0
   37    41   -47    57  -0.11500  1.0 1.0
   37    41   -47    57   1.10450 -1.0 2.0
   37    41   -47    57  -0.48050  1.0 3.0
   37    41    47    70  -0.11500  1.0 1.0
   37    41    47    70   1.10450 -1.0 2.0
   37    41    47    70  -0.48050  1.0 3.0
   37    43    48    49   0.00000  1.0 1.0
   37    43    48    50   0.00000  1.0 1.0
   37    43    48    51   0.00000  1.0 1.0
   41    37    43    44   7.00000 -1.0 2.0
   41    37    43    48   7.00000 -1.0 2.0
   41    47    57    61   3.62500 -1.0 2.0
   41    47    57    63   3.62500 -1.0 2.0
   41    47    70    68   3.62500 -1.0 2.0
   41    47    70    71   3.62500 -1.0 2.0
   42    41    47    57   1.05000 -1.0 2.0
   42    41    47    70   1.05000 -1.0 2.0
   47    57    61    62   3.62500 -1.0 2.0
   47    57    61    66   3.62500 -1.0 2.0
   47    57   -63    33   0.04150 -1.0 2.0
   47    57    63    64   0.00000  1.0 1.0
   47    57    63    65   0.00000  1.0 1.0
   47    70    71    72   0.84100 -1.0 2.0
   57    47    70    68   3.62500 -1.0 2.0
   57    47    70    71   3.62500 -1.0 2.0
   57    61    66    67   3.62500 -1.0 2.0
   57    61   -66    68   3.62500 -1.0 2.0
   61    57    63    33   0.04150 -1.0 2.0
   61    57    63    64   0.00000  1.0 1.0
   61    57    63    65   0.00000  1.0 1.0
   61    66    68    69   3.62500 -1.0 2.0
   61    66    68    70   3.62500 -1.0 2.0
   62    61    66    67   3.62500 -1.0 2.0
   62    61    66    68   3.62500 -1.0 2.0
   66    68   -70    47   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    71    72   0.84100 -1.0 2.0
   69    68    70    47   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   70    47   -57    61   3.62500 -1.0 2.0
   70    47    57    63   3.62500 -1.0 2.0
   63    33   -37    41   0.09700  1.0 1.0
   63    33   -37    41   0.15600 -1.0 2.0
   63    33   -37    41  -0.50800  1.0 3.0
   63    33    37    43   0.09850  1.0 1.0
   63    33    37    43   0.15250 -1.0 2.0
   63    33    37    43  -0.50650  1.0 3.0
   63    33    38    39   0.15000  1.0 3.0
   63    33    38    40   0.15000  1.0 3.0
   63    33    38    45   0.56750  1.0 1.0
   63    33    38    45  -0.07550 -1.0 2.0
   63    33    38    45   0.20000  1.0 3.0
   63    57    61    62   3.62500 -1.0 2.0
   63    57    61    66   3.62500 -1.0 2.0
   43    37    41    42   1.00000 -1.0 2.0
   43    37    41    47  -1.65800  1.0 1.0
   43    37    41    47   0.77650 -1.0 2.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   44    43    48    51   0.00000  1.0 1.0
   38    33    37    41   0.09700  1.0 1.0
   38    33    37    41   0.15600 -1.0 2.0
   38    33    37    41  -0.50800  1.0 3.0
   38    33    37    43   0.09850  1.0 1.0
   38    33    37    43   0.15250 -1.0 2.0
   38    33    37    43  -0.50650  1.0 3.0
   38    33    63    57  -0.03700  1.0 1.0
   38    33    63    57   0.37200 -1.0 2.0
   38    33    63    57  -0.47300  1.0 3.0
   38    33    63    64   0.15000  1.0 3.0
   38    33    63    65   0.15000  1.0 3.0
   38    45    52    53   0.15000  1.0 3.0
   38    45    52    54   0.15000  1.0 3.0
   38    45    52    58  -1.63150  1.0 1.0
   38    45    52    58  -0.43550 -1.0 2.0
   38    45    52    58   0.24500  1.0 3.0
   38    45    55    56  -0.11600  1.0 1.0
   38    45    55    56  -0.09450 -1.0 2.0
   38    45    55    56   0.21250  1.0 3.0
   39    38    45    46   0.15000  1.0 3.0
   39    38    45    52   0.15000  1.0 3.0
   39    38    45    55   0.23400  1.0 3.0
   40    38    45    46   0.15000  1.0 3.0
   40    38    45    52   0.15000  1.0 3.0
   40    38    45    55   0.23400  1.0 3.0
   45    52    58    59   0.41150 -1.0 2.0
   45    52    58    60   0.41150 -1.0 2.0
   46    45    52    53   0.15000  1.0 3.0
   46    45    52    54   0.15000  1.0 3.0
   46    45    52    58  -0.11250  1.0 3.0
   46    45    55    56   0.19450  1.0 3.0
   52    45    55    56  -0.11600  1.0 1.0
   52    45    55    56  -0.09450 -1.0 2.0
   52    45    55    56   0.21250  1.0 3.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   0.00000  1.0 1.0
   54    52    58    59   0.00000  1.0 1.0
   54    52    58    60   0.00000  1.0 1.0
   55    45    52    53   0.23400  1.0 3.0
   55    45    52    54   0.23400  1.0 3.0
   55    45    52    58  -5.33000  1.0 1.0
   55    45    52    58  -0.54250 -1.0 2.0
   55    45    52    58  -0.07300  1.0 3.0
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
   33    41    37    43   1.10000 -1.0 2.0
   37    47    41    42  10.50000 -1.0 2.0
   57    70    47    41   4.00000 -1.0 2.0
   61    63    57    47   4.00000 -1.0 2.0
   66    62    61    57   1.10000 -1.0 2.0
   68    67    66    61   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   68    71    70    47   4.00000 -1.0 2.0
   48    44    43    37   1.10000 -1.0 2.0
   59    52    58    60  10.50000 -1.0 2.0
END
