* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    119    183     346
    1     0 S   NP   _N1_     1    28.08300    97.46455   -23.05875
    2     1 S   H    _HN1     2     1.02957    70.94017    -8.49008
    3     1 S   H    _H1_     3     1.02836    38.15030   151.91876
    4     1 S   H    _H2_     4     1.02777   108.28622  -112.16526
    5     1 S   CT   _CA1     5     1.50146   136.00021    91.46453
    6     5 S   HC   _HA1     6     1.09576   105.19120    94.26794
    7     5 S   CO3  _C1_     7     1.53771   112.32812   -25.88114
    8     7 S   O2Z  _O11     8     1.26369   114.98594   -44.11598
    9     7 S   O2Z  _O12     9     1.26230   114.92414   134.84253
   10     5 S   CT   _CB1    10     1.53083   107.40708  -147.85322
   11    10 S   HC   HB11    11     1.09831   109.28662   -50.33778
   12    10 S   HC   HB12    12     1.09815   110.44949    66.20049
   13    10 S   CT   _CG1    13     1.53038   112.70845  -171.38974
   14    13 S   HC   HG11    14     1.09590   110.53319   -65.44015
   15    13 S   HC   HG12    15     1.09660   109.88271    53.78042
   16    13 S   C    _CD1    16     1.51856   112.22883   174.12053
   17    16 S   O    _OE1    17     1.22769   123.25414     2.80184
   18    16 S   N    _N2_    18     1.38568   111.80454  -177.18547
   19    18 S   H    _HN2    19     1.01563   119.09970     3.70755
   20    18 S   CT1  _CA2    20     1.45808   122.76235   177.49267
   21    20 S   HC   _HA2    21     1.09738   108.84164    25.93645
   22    20 S   C    _C2_    22     1.52970   107.11796   -91.03580
   23    22 S   O    _O2_    23     1.22974   123.09987   -26.28664
   24    20 S   CT   _CB2    32     1.53172   112.37179   149.11719
   25    24 S   HC   HB21    33     1.09592   110.31331    54.15180
   26    24 S   HC   HB22    34     1.09440   109.82757   173.08443
   27    22 S   N    _N3_    24     1.38513   112.51891   156.41115
   28    27 S   H    _HN3    25     1.01658   120.33252    -2.06621
   29    24 S   S    _SG2    35     1.82572   111.21029   -66.66103
   30    27 S   CT   _CA3    26     1.45346   122.52256   178.51431
   31    30 S   HC   HA31    27     1.09566   107.80711   -55.81979
   32    30 S   HC   HA32    28     1.09561   107.61743    60.52260
   33    29 S   CT   _C11    36     1.86938    99.54666   176.54872
   34    33 S   HC   _H3_    37     1.09932   105.42502   -45.44830
   35    30 S   CO3  _C3_    29     1.52897   114.30305  -177.71330
   36    35 S   O2Z  _O31    30     1.26337   116.05549    -0.03426
   37    35 S   O2Z  _O32    31     1.26438   114.40926   179.94405
   38    33 S   CA   _C8_    38     1.52766   109.16411    71.12267
   39    33 S   CT   _C12    53     1.58049   110.92383  -163.51272
   40    39 S   OM   _O36    54     1.32759   109.40110    68.29766
   41    39 S   HC   _H4_    55     1.10106   105.22294   -60.16215
   42    38 S   CA   _C7_    39     1.40210   119.70430  -113.33649
   43    42 S   HA   _H9_    40     1.08729   120.43645     0.23903
   44    39 S   CA   _C13    56     1.53924   112.27135  -174.05067
   45    42 S   CA   _C6_    41     1.39657   120.68712  -179.66196
   46    45 S   HA   _H8_    42     1.08735   119.22107   179.96574
   47    44 S   CA   _C14    57     1.40798   119.12786   130.62536
   48    47 S   HA   _H12    58     1.08771   120.10052     0.56786
   49    45 S   CA   _C5_    43     1.39719   120.63836    -0.04423
   50    47 S   CA   _C15    59     1.39643   121.09149  -179.31500
   51    50 S   HA   _H13    60     1.08640   118.75347  -179.90721
   52    49 S   CA   _C10    44     1.39526   119.15007    -0.01978
   53    52 S   HA   _H11    45     1.08538   121.95201  -179.96574
   54    49 S   OS   _O33    48     1.36940   114.96311   179.96044
   55    50 S   CA   _C16    61     1.39640   119.23948    -0.27411
   56    38 S   CA   _C9_    46     1.40309   121.99804    66.90507
   57    56 S   HA   _H10    47     1.08740   120.41672    -0.42613
   58    54 S   CT   _C4_    49     1.42267   116.75360   179.45464
   59    58 S   HC   _H5_    50     1.09428   107.75343  -179.70725
   60    58 S   HC   _H6_    51     1.09501   111.12468    62.54440
   61    58 S   HC   _H7_    52     1.09503   111.14804   -61.94195
   62    55 S   CA   _C17    62     1.39632   121.01946    -0.19782
   63    62 S   HA   _H14    63     1.08640   122.01115   180.00000
   64    55 S   NO2  _N4_    66     1.45844   119.48386   179.94405
   65    64 S   ON   _O35    67     1.23882   117.71380   -20.13571
   66    64 S   ON   _O34    68     1.23880   117.73260   159.89121
   67    44 S   CA   _C18    64     1.40897   122.53129   -49.40382
   68    67 S   HA   _H15    65     1.08725   120.34460    -0.89131
  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
  14   7   2   1   1  13  11   4   3   8   4   9   7   3   8   4
   9   8   3   5   3   5   7   1   1   3   2   1   1   6   3   3
   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    56    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    45    52    56    57    39    40    41    44    47    67  
   38    42    56    39    40    41    44  
   36    37  
   37  
    0  
   42    43    45    46    49    52    53    56    57    39    40    41    44  
   40    41    44    47    48    50    62    67    68    42    56  
   41    44    47    67  
   44    47    67  
   43    45    46    49    52    56    57    54  
   45    46    49    56  
   47    48    50    51    55    62    63    67    68  
   46    49    52    53    56    54    58  
   49    52    54  
   48    50    51    55    62    67    68    64  
   50    51    55    67  
   52    53    56    57    54    58    59    60    61  
   51    55    62    63    67    64    65    66  
   55    62    64  
   53    56    57    54    58  
   56    57    54  
   58    59    60    61    56  
   62    63    67    68    64    65    66  
   57  
    0  
   59    60    61  
   60    61  
   61  
    0  
   63    67    68    64    65    66  
   67    68    64  
   65    66    67  
   66  
    0  
   68  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   65   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   66   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    56   469.000  1.400
   42    43   367.000  1.080
   42    45   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    52   469.000  1.400
   49    54   450.000  1.364
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    57   367.000  1.080
   54    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    44   317.000  1.510
   44    47   469.000  1.400
   44    67   469.000  1.400
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    62   469.000  1.400
   55    64   400.000  1.460
   62    63   367.000  1.080
   62    67   469.000  1.400
   67    68   367.000  1.080
   64    65   550.000  1.225
   64    66   550.000  1.225
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    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    44    70.00000  112.17500
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    45    63.00000  120.00000
   38    56    52    63.00000  120.00000
   38    56    57    35.00000  120.00000
   42    45    46    35.00000  120.00000
   42    45    49    63.00000  120.00000
   45    42    43    35.00000  120.00000
   45    49    52    63.00000  120.00000
   45    49    54    70.00000  120.00000
   49    45    46    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    56    63.00000  120.00000
   49    54    58    75.00000  111.00000
   52    56    57    35.00000  120.00000
   56    38    42    63.00000  120.00000
   56    52    53    35.00000  120.00000
   54    49    52    70.00000  120.00000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    47    70.00000  120.00000
   39    44    67    70.00000  120.00000
   41    39    40    45.00000  125.66300
   44    39    40    85.00000  111.85700
   44    39    41    35.00000  109.50000
   44    47    48    35.00000  120.00000
   44    47    50    63.00000  120.00000
   44    67    62    63.00000  120.00000
   44    67    68    35.00000  120.00000
   47    50    51    35.00000  120.00000
   47    50    55    63.00000  120.00000
   50    47    48    35.00000  120.00000
   50    55    62    63.00000  120.00000
   50    55    64    85.00000  120.00000
   55    50    51    35.00000  120.00000
   55    62    63    35.00000  120.00000
   55    62    67    63.00000  120.00000
   55    64    65    80.00000  117.50000
   55    64    66    80.00000  117.50000
   62    67    68    35.00000  120.00000
   67    44    47    63.00000  120.00000
   67    62    63    35.00000  120.00000
   64    55    62    85.00000  120.00000
   66    64    65    80.00000  125.30000
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   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    45   3.62500 -1.0 2.0
   33    38    56    52   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    44    47   0.04150 -1.0 2.0
   33    39    44    67   0.04150 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44   0.43200  1.0 3.0
   38    33    39    40  -0.64350  1.0 1.0
   38    33    39    40  -0.04200 -1.0 2.0
   38    33    39    40   0.19800  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44  -0.94300  1.0 1.0
   38    33    39    44   1.32550 -1.0 2.0
   38    33    39    44  -0.07100  1.0 3.0
   38    42    45    46   3.62500 -1.0 2.0
   38    42    45    49   3.62500 -1.0 2.0
   42    38    56    52   3.62500 -1.0 2.0
   42    38    56    57   3.62500 -1.0 2.0
   42    45   -49    52   3.62500 -1.0 2.0
   42    45    49    54   3.62500 -1.0 2.0
   43    42    45    46   3.62500 -1.0 2.0
   43    42    45    49   3.62500 -1.0 2.0
   45    49    52    53   3.62500 -1.0 2.0
   45    49    52    56   3.62500 -1.0 2.0
   45    49    54    58   1.63200 -1.0 2.0
   46    45    49    52   3.62500 -1.0 2.0
   46    45    49    54   3.62500 -1.0 2.0
   49    52   -56    38   3.62500 -1.0 2.0
   49    52    56    57   3.62500 -1.0 2.0
   49    54    58    59   0.08050  1.0 3.0
   49    54    58    60   0.08050  1.0 3.0
   49    54    58    61   0.08050  1.0 3.0
   52    49    54    58   1.63200 -1.0 2.0
   53    52    56    38   3.62500 -1.0 2.0
   53    52    56    57   3.62500 -1.0 2.0
   56    38    42    43   3.62500 -1.0 2.0
   56    38   -42    45   3.62500 -1.0 2.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    56   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    56   0.04150 -1.0 2.0
   39    44    47    48   3.62500 -1.0 2.0
   39    44    47    50   3.62500 -1.0 2.0
   39    44    67    62   3.62500 -1.0 2.0
   39    44    67    68   3.62500 -1.0 2.0
   40    39    44    47   0.64500  1.0 1.0
   40    39    44    47   0.14800 -1.0 2.0
   40    39    44    47   0.20650  1.0 3.0
   40    39    44    67   0.64500  1.0 1.0
   40    39    44    67   0.14800 -1.0 2.0
   40    39    44    67   0.20650  1.0 3.0
   41    39    44    47   0.00000  1.0 1.0
   41    39    44    67   0.00000  1.0 1.0
   44    47    50    51   3.62500 -1.0 2.0
   44    47    50    55   3.62500 -1.0 2.0
   47    44    67    62   3.62500 -1.0 2.0
   47    44    67    68   3.62500 -1.0 2.0
   47    50   -55    62   3.62500 -1.0 2.0
   47    50    55    64   3.62500 -1.0 2.0
   48    47    50    51   3.62500 -1.0 2.0
   48    47    50    55   3.62500 -1.0 2.0
   50    55    62    63   3.62500 -1.0 2.0
   50    55    62    67   3.62500 -1.0 2.0
   50    55    64    65   0.69950 -1.0 2.0
   50    55    64    66   0.69950 -1.0 2.0
   51    50    55    62   3.62500 -1.0 2.0
   51    50    55    64   3.62500 -1.0 2.0
   55    62   -67    44   3.62500 -1.0 2.0
   55    62    67    68   3.62500 -1.0 2.0
   62    55    64    65   0.69950 -1.0 2.0
   62    55    64    66   0.69950 -1.0 2.0
   63    62    67    44   3.62500 -1.0 2.0
   63    62    67    68   3.62500 -1.0 2.0
   67    44    47    48   3.62500 -1.0 2.0
   67    44   -47    50   3.62500 -1.0 2.0
   64    55    62    63   3.62500 -1.0 2.0
   64    55    62    67   3.62500 -1.0 2.0
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
   42    56    38    33   4.00000 -1.0 2.0
   45    43    42    38   1.10000 -1.0 2.0
   49    46    45    42   1.10000 -1.0 2.0
   52    54    49    45   4.00000 -1.0 2.0
   56    53    52    49   1.10000 -1.0 2.0
   52    57    56    38   1.10000 -1.0 2.0
   47    67    44    39   4.00000 -1.0 2.0
   50    48    47    44   1.10000 -1.0 2.0
   55    51    50    47   1.10000 -1.0 2.0
   62    64    55    50   4.00000 -1.0 2.0
   67    63    62    55   1.10000 -1.0 2.0
   62    68    67    44   1.10000 -1.0 2.0
   65    55    64    66  10.50000 -1.0 2.0
END
