* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    133    213     400
    1     0 S   NP   _N1_     1    30.21581    92.70120   -17.60503
    2     1 S   H    _HN1     2     1.03575   127.18278   108.84940
    3     1 S   H    _H1_     3     1.02869    20.26635   102.35527
    4     1 S   H    _H2_     4     1.02747   100.39445   -11.79745
    5     1 S   CT   _CA1     5     1.50315    97.67427  -126.22708
    6     5 S   HC   _HA1     6     1.09683   104.58683    51.08877
    7     5 S   CO3  _C1_     7     1.54439   111.23249   -64.70275
    8     7 S   O2Z  _O11     8     1.26064   116.77449  -120.93481
    9     7 S   O2Z  _O12     9     1.26617   113.77344    58.57507
   10     5 S   CT   _CB1    10     1.53003   107.00729   167.20100
   11    10 S   HC   HB11    11     1.09857   110.09765   -41.89582
   12    10 S   HC   HB12    12     1.09699   109.89973    74.35310
   13    10 S   CT   _CG1    13     1.53119   112.60479  -162.61651
   14    13 S   HC   HG11    14     1.09478   111.88861   -58.39364
   15    13 S   HC   HG12    15     1.09607   110.44403    60.83953
   16    13 S   C    _CD1    16     1.51367   110.14372  -179.55677
   17    16 S   O    _OE1    17     1.22805   121.76519  -101.39998
   18    16 S   N    _N2_    18     1.38428   112.70527    77.22600
   19    18 S   H    _HN2    19     1.01633   119.00587     3.95101
   20    18 S   CT1  _CA2    20     1.46196   123.38268  -174.91377
   21    20 S   HC   _HA2    21     1.09733   109.36453    -5.71957
   22    20 S   C    _C2_    22     1.53384   108.90536  -121.67801
   23    22 S   O    _O2_    23     1.23048   122.11909  -147.41897
   24    20 S   CT   _CB2    32     1.53697   111.16566   115.94320
   25    24 S   HC   HB21    33     1.09270   108.94778    59.03029
   26    24 S   HC   HB22    34     1.09448   109.89521   177.53868
   27    22 S   N    _N3_    24     1.38468   113.57220    40.09494
   28    27 S   H    _HN3    25     1.01513   118.96195    -0.69380
   29    24 S   S    _SG2    35     1.83107   110.96281   -62.46586
   30    27 S   CT   _CA3    26     1.45429   123.30502   175.34175
   31    30 S   HC   HA31    27     1.09537   109.03821    28.10466
   32    30 S   HC   HA32    28     1.09493   107.16938   145.04381
   33    29 S   CT   _C6_    36     1.90573   102.67856   172.25258
   34    30 S   CO3  _C3_    29     1.52923   113.26394   -95.25669
   35    34 S   O2Z  _O31    30     1.26390   115.46525   -44.17605
   36    34 S   O2Z  _O32    31     1.26367   114.95153   136.80079
   37    33 S   CM   _C7_    37     1.51504   105.42490    59.34147
   38    37 S   HC   _H9_    38     1.08880   116.50002   -92.22416
   39    33 S   CT   _C5_    53     1.55336   110.22406   -64.68885
   40    39 S   HC   _H3_    54     1.09637   109.47183    51.79463
   41    37 S   CM   _C8_    39     1.34511   124.76040    86.78523
   42    39 S   CO3  _C17    55     1.55091   118.90901   169.62257
   43    42 S   O2Z  _O40    56     1.26017   116.66881    12.75976
   44    42 S   O2Z  _O39    57     1.26617   114.56932  -166.13811
   45    41 S   CO4  _C9_    40     1.49083   118.97583    -1.64366
   46    45 S   O    _O33    41     1.22287   122.94099  -170.34365
   47    41 S   CT   _C14    61     1.50835   123.05793  -176.62501
   48    47 S   HC   _H11    62     1.09868   107.92489   123.01229
   49    47 S   HC   _H12    63     1.09849   109.87431     8.72893
   50    45 S   CO4  _C10    42     1.51143   118.53967     9.40024
   51    50 S   O    _O34    43     1.22268   118.45002  -167.21480
   52    47 S   CT   _C15    64     1.53416   113.74529  -114.94841
   53    52 S   HC   _H6_    65     1.09539   111.22757   -55.59375
   54    33 S   CT1  _C11    44     1.55214   108.25842   176.56487
   55    54 S   HC   _H4_    45     1.09770   111.25789  -177.83771
   56    52 S   CO3  _C16    66     1.53813   111.39245    67.67256
   57    56 S   O2Z  _O38    67     1.26360   115.01347    62.93755
   58    56 S   O2Z  _O37    68     1.26221   114.75456  -119.26775
   59    52 S   NP   _N5_    69     1.50342   107.39660  -169.71078
   60    59 S   H    _H13    70     1.02790   112.07530    57.45202
   61    59 S   H    _H14    71     1.02940   110.61854   -63.66013
   62    59 S   H    _H15    72     1.02853   110.60594   177.71964
   63    54 S   NT   _N4_    46     1.46936   112.47036    61.08747
   64    63 S   H    _H10    47     1.02179   109.40310  -178.54183
   65    63 S   CT1  _C12    48     1.47464   110.45083    61.82338
   66    65 S   HC   _H5_    49     1.09829   109.49557    63.56968
   67    65 S   CT   _C4_    50     1.53553   111.69368   -57.50351
   68    67 S   HC   _H7_    51     1.09702   110.06170   -68.82887
   69    67 S   HC   _H8_    52     1.09763   108.79944   176.68985
   70    65 S   CO3  _C13    58     1.54753   105.47442   178.22635
   71    70 S   O2Z  _O36    59     1.26390   116.67980   114.42155
   72    70 S   O2Z  _O35    60     1.26689   114.66749   -66.09719
  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
  20   2   1   1  16   5  15   8  12   7   2   1  10   4  12   5
   4   6   3   8   7   7   3   6   2   1   3   2   1   1   9   4
   7   6   5   2   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    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    50    54    55    63    67    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    45    50    51    54    55    63    64    65    67    68    69    39    40    42    43    44    47  
   35    36  
   36  
    0  
   38    41    45    46    50    54    55    63    67    39    40    42    47    48    49    52  
   41    45    54    39    47  
   40    42    43    44    70    41    50    54    55    63    65    66    67    68    69  
   42    43    44    54    65    67    68    69  
   45    46    50    51    54    47    48    49    52    53    56    59  
   43    44    54    65    67    68    69  
   44    67  
   67  
   46    50    51    54    55    63    47    48    49    52  
   50    51    54    47  
   48    49    52    53    56    57    58    59    60    61    62    50  
   49    52    53    56    59  
   52    53    56    59  
   51    54    55    63    64    65  
   54    55    63  
   53    56    57    58    59    60    61    62  
   56    57    58    59    60    61    62  
   55    63    64    65    66    67    70  
   63    64    65  
   57    58    59    60    61    62  
   58    59  
   59  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70    71    72  
   65    66    67    70  
   66    67    68    69    70    71    72  
   67    68    69    70    71    72  
   68    69    70    71    72  
   69    70  
   70  
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   57   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   58   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   59   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   60   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   62   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.3000   0.1700  -0.625000   1.8650   1.6500   0.051222218  -2.220205820
   64   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    54   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    45   320.000  1.462
   41    47   317.000  1.510
   45    46   570.000  1.229
   45    50   250.000  1.523
   50    51   570.000  1.229
   50    54   255.000  1.522
   54    55   340.000  1.090
   54    63   305.000  1.457
   63    64   434.000  1.010
   63    65   305.000  1.457
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    70   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    39   268.000  1.529
   39    40   340.000  1.090
   39    42   317.000  1.522
   42    43   656.000  1.250
   42    44   656.000  1.250
   70    71   656.000  1.250
   70    72   656.000  1.250
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    56   317.000  1.522
   52    59   367.000  1.471
   56    57   656.000  1.250
   56    58   656.000  1.250
   59    60   434.000  1.010
   59    61   434.000  1.010
   59    62   434.000  1.010
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    54    75.00000  108.68000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    54    50    70.00000  110.61500
   33    54    55    37.50000  110.70000
   33    54    63    80.00000  111.22000
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    70.00000  109.69300
   37    41    45    65.00000  118.96000
   37    41    47    70.00000  124.00000
   41    37    38    35.00000  120.00000
   41    45    46    80.00000  123.72100
   41    45    50    65.00000  116.00000
   41    47    48    35.00000  109.50000
   41    47    49    35.00000  109.50000
   41    47    52    70.00000  112.02700
   45    50    51    80.00000  119.30300
   45    50    54    65.00000  115.45000
   50    45    46    80.00000  119.30300
   50    54    55    45.00000  110.09800
   50    54    63    75.00000  112.91400
   54    33    37    70.00000  112.02700
   54    50    51    75.00000  123.42600
   54    63    64    50.00000  111.55300
   54    63    65    51.80000  107.20000
   63    54    55    50.00000  109.55000
   63    65    66    50.00000  109.55000
   63    65    67    80.00000  111.22000
   63    65    70    75.00000  111.54000
   65    63    64    50.00000  111.55300
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    39    58.35000  112.70000
   65    70    71    70.00000  117.00000
   65    70    72    70.00000  117.00000
   67    65    66    37.50000  110.70000
   67    39    40    37.50000  110.70000
   67    39    42    70.00000  109.69300
   69    67    68    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    54    58.35000  112.70000
   39    67    68    37.50000  110.70000
   39    67    69    37.50000  110.70000
   39    42    43    70.00000  117.00000
   39    42    44    70.00000  117.00000
   42    39    40    35.00000  109.50000
   44    42    43    80.00000  126.00000
   70    65    66    35.00000  109.50000
   70    65    67    63.00000  111.10000
   72    70    71    80.00000  126.00000
   47    41    45    65.00000  116.34900
   47    52    53    37.50000  110.70000
   47    52    56    70.00000  109.69300
   47    52    59    80.00000  111.20000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    56    57    70.00000  117.00000
   52    56    58    70.00000  117.00000
   52    59    60    35.00000  109.50000
   52    59    61    35.00000  109.50000
   52    59    62    35.00000  109.50000
   56    52    53    35.00000  109.50000
   58    56    57    80.00000  126.00000
   59    52    53    35.00000  109.50000
   59    52    56    80.00000  109.26000
   61    59    60    35.00000  109.50000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    54    50  -2.17200  1.0 1.0
   29    33    54    50  -0.85700 -1.0 2.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    63   0.56750  1.0 1.0
   29    33    54    63  -0.07550 -1.0 2.0
   29    33    54    63   0.20000  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    37    41    45   7.00000 -1.0 2.0
   33    37    41    47   7.00000 -1.0 2.0
   33    54    63    64  -0.15950  1.0 1.0
   33    54    63    64   0.34650 -1.0 2.0
   33    54    63    64   0.05750  1.0 3.0
   33    54    63    65   0.23450  1.0 1.0
   33    54    63    65   0.02050 -1.0 2.0
   33    54    63    65   0.25250  1.0 3.0
   33    39    42    43   0.41150 -1.0 2.0
   33    39    42    44   0.41150 -1.0 2.0
   37    33    54    50  -0.98800  1.0 1.0
   37    33    54    50   0.48800 -1.0 2.0
   37    33    54    50   0.76800  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    63   0.59950  1.0 1.0
   37    33    54    63  -0.21400 -1.0 2.0
   37    33    54    63   0.56200  1.0 3.0
   37    33    39    67   0.34400  1.0 1.0
   37    33    39    67   0.09450 -1.0 2.0
   37    33    39    67   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    42  -0.98800  1.0 1.0
   37    33    39    42   0.48800 -1.0 2.0
   37    33    39    42   0.76800  1.0 3.0
   37    41    45    46   1.00000 -1.0 2.0
   37    41   -45    50   0.50400  1.0 1.0
   37    41   -45    50   1.60000 -1.0 2.0
   37    41   -45    50  -0.01800  1.0 3.0
   37    41    47    48   0.00000  1.0 1.0
   37    41    47    49   0.00000  1.0 1.0
   37    41    47    52   0.09850  1.0 1.0
   37    41    47    52   0.15250 -1.0 2.0
   37    41    47    52  -0.50650  1.0 3.0
   38    37    41    45   7.00000 -1.0 2.0
   38    37    41    47   7.00000 -1.0 2.0
   41    45    50    51   0.03000  1.0 1.0
   41    45    50    51   0.58800 -1.0 2.0
   41    45    50    51   0.15550  1.0 3.0
   41    45    50    54   0.43900  1.0 1.0
   41    45    50    54  -0.18150 -1.0 2.0
   41    45    50    54  -0.03650  1.0 3.0
   41    47    52    53   0.15000  1.0 3.0
   41    47    52    56  -0.98800  1.0 1.0
   41    47    52    56   0.48800 -1.0 2.0
   41    47    52    56   0.76800  1.0 3.0
   41    47    52    59  -0.47300  1.0 1.0
   41    47    52    59   0.29700 -1.0 2.0
   41    47    52    59   0.83300  1.0 3.0
   45    41    47    48   0.15000  1.0 3.0
   45    41    47    49   0.15000  1.0 3.0
   45    41    47    52   0.09700  1.0 1.0
   45    41    47    52   0.15600 -1.0 2.0
   45    41    47    52  -0.50800  1.0 3.0
   45    50   -54    33   0.65300  1.0 1.0
   45    50   -54    33  -0.03850 -1.0 2.0
   45    50   -54    33   0.33900  1.0 3.0
   45    50    54    55   0.00000  1.0 1.0
   45    50    54    63   0.65300  1.0 1.0
   45    50    54    63  -0.03850 -1.0 2.0
   45    50    54    63   0.33900  1.0 3.0
   46    45    50    51   0.06100 -1.0 2.0
   46    45    50    54   0.49600 -1.0 2.0
   50    54    63    64   0.21900  1.0 1.0
   50    54    63    64  -0.24900 -1.0 2.0
   50    54    63    64   0.15200  1.0 3.0
   50    54    63    65  -1.76800  1.0 1.0
   50    54    63    65   1.02600 -1.0 2.0
   50    54    63    65   0.19700  1.0 3.0
   51    50    54    33   0.00000  1.0 1.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    63   0.30150 -1.0 2.0
   54    33    37    38   0.00000  1.0 1.0
   54    33   -37    41   0.09850  1.0 1.0
   54    33   -37    41   0.15250 -1.0 2.0
   54    33   -37    41  -0.50650  1.0 3.0
   54    33    39    67   0.56750  1.0 1.0
   54    33    39    67  -0.07550 -1.0 2.0
   54    33    39    67   0.20000  1.0 3.0
   54    33    39    40   0.15000  1.0 3.0
   54    33    39    42  -0.84850  1.0 1.0
   54    33    39    42  -0.22800 -1.0 2.0
   54    33    39    42   0.29250  1.0 3.0
   54    63    65    66   0.28000  1.0 3.0
   54    63   -65    67   0.23450  1.0 1.0
   54    63   -65    67   0.02050 -1.0 2.0
   54    63   -65    67   0.25250  1.0 3.0
   54    63    65    70  -1.76800  1.0 1.0
   54    63    65    70   1.02600 -1.0 2.0
   54    63    65    70   0.19700  1.0 3.0
   55    54    63    64   0.20000  1.0 3.0
   55    54    63    65   0.28000  1.0 3.0
   63    65    67    68   0.15000  1.0 3.0
   63    65    67    69   0.15000  1.0 3.0
   63    65    67    39   1.53400  1.0 1.0
   63    65    67    39  -0.09950 -1.0 2.0
   63    65    67    39   0.05700  1.0 3.0
   63    65    70    71   0.30150 -1.0 2.0
   63    65    70    72   0.30150 -1.0 2.0
   64    63    65    66   0.20000  1.0 3.0
   64    63    65    67  -0.15950  1.0 1.0
   64    63    65    67   0.34650 -1.0 2.0
   64    63    65    67   0.05750  1.0 3.0
   64    63    65    70   0.21900  1.0 1.0
   64    63    65    70  -0.24900 -1.0 2.0
   64    63    65    70   0.15200  1.0 3.0
   65    67   -39    33   0.56750  1.0 1.0
   65    67   -39    33  -0.07550 -1.0 2.0
   65    67   -39    33   0.20000  1.0 3.0
   65    67    39    40   0.15000  1.0 3.0
   65    67    39    42  -0.84850  1.0 1.0
   65    67    39    42  -0.22800 -1.0 2.0
   65    67    39    42   0.29250  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    39   0.15000  1.0 3.0
   66    65    70    71   0.00000  1.0 1.0
   66    65    70    72   0.00000  1.0 1.0
   67    65    70    71   0.00000  1.0 1.0
   67    65    70    72   0.00000  1.0 1.0
   67    39    42    43   0.41150 -1.0 2.0
   67    39    42    44   0.41150 -1.0 2.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    42  -0.11250  1.0 3.0
   69    67    39    33   0.15000  1.0 3.0
   69    67    39    40   0.15000  1.0 3.0
   69    67    39    42  -0.11250  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    54    50  -0.84850  1.0 1.0
   39    33    54    50  -0.22800 -1.0 2.0
   39    33    54    50   0.29250  1.0 3.0
   39    33    54    55   0.15000  1.0 3.0
   39    33   -54    63   1.53400  1.0 1.0
   39    33   -54    63  -0.09950 -1.0 2.0
   39    33   -54    63   0.05700  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   70    65    67    68  -0.03800  1.0 3.0
   70    65    67    69  -0.03800  1.0 3.0
   70    65    67    39  -0.84850  1.0 1.0
   70    65    67    39  -0.22800 -1.0 2.0
   70    65    67    39   0.29250  1.0 3.0
   47    41    45    46  -0.64400  1.0 1.0
   47    41    45    46   0.26850 -1.0 2.0
   47    41    45    50   1.50000 -1.0 2.0
   47    52    56    57   0.41150 -1.0 2.0
   47    52    56    58   0.41150 -1.0 2.0
   47    52    59    60   0.17350  1.0 3.0
   47    52    59    61   0.17350  1.0 3.0
   47    52    59    62   0.17350  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    56  -0.11250  1.0 3.0
   48    47    52    59   0.19200  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    56  -0.11250  1.0 3.0
   49    47    52    59   0.19200  1.0 3.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    58   0.00000  1.0 1.0
   53    52    59    60   0.13050  1.0 3.0
   53    52    59    61   0.13050  1.0 3.0
   53    52    59    62   0.13050  1.0 3.0
   56    52    59    60   0.17350  1.0 3.0
   56    52    59    61   0.17350  1.0 3.0
   56    52    59    62   0.17350  1.0 3.0
   59    52    56    57   0.30150 -1.0 2.0
   59    52    56    58   0.30150 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   45    47    41    37   1.10000 -1.0 2.0
   41    50    45    46  10.50000 -1.0 2.0
   45    54    50    51  10.50000 -1.0 2.0
   43    39    42    44  10.50000 -1.0 2.0
   71    65    70    72  10.50000 -1.0 2.0
   57    52    56    58  10.50000 -1.0 2.0
END
