* LIGAND DATABASE FILE (OPLS2005)
*
001      62    64    113    174     324
    1     0 S   NP   _N1_     1    28.96883    92.73609   -22.01774
    2     1 S   H    _HN1     2     1.02787    94.88283   -80.74373
    3     1 S   H    _H1_     3     1.03032    97.67016    28.24200
    4     1 S   H    _H2_     4     1.02804    20.07422   147.35563
    5     1 S   CT   _CA1     5     1.50066   130.86960   153.78027
    6     5 S   HC   _HA1     6     1.09568   105.24690    55.25196
    7     5 S   CO3  _C1_     7     1.53803   112.28381   -64.97681
    8     7 S   O2Z  _O11     8     1.26368   115.04956   -43.54848
    9     7 S   O2Z  _O12     9     1.26252   114.90445   135.59230
   10     5 S   CT   _CB1    10     1.53048   107.52324   173.14717
   11    10 S   HC   HB11    11     1.09805   109.38865   -50.17916
   12    10 S   HC   HB12    12     1.09678   110.27321    66.45938
   13    10 S   CT   _CG1    13     1.53043   112.88177  -171.74300
   14    13 S   HC   HG11    14     1.09582   110.18896   -62.13347
   15    13 S   HC   HG12    15     1.09610   110.30551    57.10114
   16    13 S   C    _CD1    16     1.51815   111.93413   177.07230
   17    16 S   O    _OE1    17     1.22749   123.05892   -17.23360
   18    16 S   N    _N2_    18     1.38643   112.00119   163.88688
   19    18 S   H    _HN2    19     1.01570   119.21359     2.06061
   20    18 S   CT1  _CA2    20     1.46133   123.10675  -177.55048
   21    20 S   HC   _HA2    21     1.09571   109.10518    -7.55512
   22    20 S   C    _C2_    22     1.53362   108.85881  -122.79126
   23    22 S   O    _O2_    23     1.23031   122.13708  -146.68540
   24    20 S   CT   _CB2    32     1.53550   111.70803   114.57679
   25    24 S   HC   HB21    33     1.09654   109.51746    63.18040
   26    24 S   HC   HB22    34     1.09568   111.06984  -179.32478
   27    22 S   N    _N3_    24     1.38481   113.47170    40.90477
   28    27 S   H    _HN3    25     1.01509   118.94863    -0.65222
   29    24 S   S    _SG2    35     1.82797   114.16971   -56.17634
   30    27 S   CT   _CA3    26     1.45436   123.30000   174.62524
   31    30 S   HC   HA31    27     1.09535   109.01298    28.30518
   32    30 S   HC   HA32    28     1.09487   107.16425   145.32401
   33    29 S   CT   _C13    36     1.82544   100.01618   -74.17670
   34    33 S   HC   _H8_    37     1.09463   108.19922   -78.60609
   35    33 S   HC   _H9_    38     1.09304   109.53853    39.17630
   36    30 S   CO3  _C3_    29     1.52969   113.35046   -94.96901
   37    36 S   O2Z  _O31    30     1.26390   115.55688   -39.92814
   38    36 S   O2Z  _O32    31     1.26377   114.87364   141.00282
   39    33 S   CT   _C12    39     1.52415   109.82072   160.24703
   40    39 S   HC   _H5_    40     1.09475   113.47782    51.63826
   41    39 S   CO4  _C11    41     1.51525   111.19410   175.32978
   42    41 S   O    _O33    42     1.22740   123.26854   -62.06123
   43    41 S   CT   _C10    43     1.50893   112.27639   117.81223
   44    43 S   OM   _O35    44     1.31913   105.44551    97.61830
   45    43 S   HC   _H4_    45     1.09703   108.30423  -129.98872
   46    43 S   CO   _C9_    46     1.54209    97.16075   -18.64168
   47    46 S   HC   _H3_    47     1.10010   109.09699   -82.42074
   48    46 S   N*   _N6_    48     1.45202   117.30520   157.90833
   49    39 S   OS   _O34    62     1.43805   110.85904   -71.07766
   50    48 S   CRAB _C8_    49     1.37316   123.73978    79.44182
   51    50 S   HA   _H7_    50     1.08179   122.22999    -1.62835
   52    50 S   NNA  _N7_    51     1.31516   112.23605   178.18512
   53    52 S   C56B _C6_    52     1.37431   104.82843     0.11535
   54    48 S   C56A _C7_    53     1.36925   129.15450  -102.39680
   55    54 S   NB   _N5_    54     1.34267   128.52443     1.37871
   56    55 S   CQ   _C4_    55     1.34519   111.10706  -178.67205
   57    56 S   HA   _H6_    56     1.08488   115.79927   179.50111
   58    56 S   NB   _N4_    57     1.35355   128.55643    -0.06256
   59    53 S   CA   _C5_    58     1.40342   131.30628  -179.28728
   60    59 S   NND  _N8_    59     1.38142   122.19813    -0.23239
   61    60 S   H    _H10    60     1.01117   120.23907    -2.77897
   62    60 S   H    _H11    61     1.01025   119.39147  -177.86705
  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   7   5   4   3
   9   5   4   2   1   1  10   5   8   5   8   5   4   9   4   9
   2   6   3   6   8   6   4   4   2   4   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    49  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    49  
   41    42    43    46    49  
   42    43    44    45    46    47    48    49  
   43    44    45    46    49  
   44    45    46    47    48    50    54    49  
   45    46    47    48    49  
   46    47    48    49  
   47    48    50    51    52    53    54    55    49  
   48    50    54    49  
   50    51    52    53    54    55    56    59    49  
   50    54  
   51    52    53    54    55    59  
   52    53    54  
   53    54    55    58    59    60  
   54    55    56    58    59    60    61    62  
   55    56    57    58    59    60  
   56    57    58    59  
   57    58    59    60  
   58    59  
   59    60    61    62  
   60    61    62  
   61    62  
   62  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   49   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   52   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   53   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   56   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   58   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   59   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   62   0.5000   0.0300   0.370000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   320.000  1.410
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   570.000  1.307
   43    45   340.000  1.090
   43    46   250.000  1.527
   46    47   340.000  1.090
   46    48   275.000  1.479
   46    49   320.000  1.380
   48    50   440.000  1.371
   48    54   436.000  1.374
   50    51   367.000  1.080
   50    52   529.000  1.304
   52    53   414.000  1.391
   53    54   447.000  1.419
   53    59   469.000  1.404
   54    55   461.000  1.354
   55    56   502.000  1.324
   56    57   367.000  1.080
   56    58   502.000  1.324
   58    59   483.000  1.339
   59    60   481.000  1.340
   60    61   434.000  1.010
   60    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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    70.00000  116.00000
   39    49    46    60.00000  109.50000
   41    39    40    35.00000  109.50000
   41    43    44    90.00000  108.74100
   41    43    45    35.00000  109.50000
   41    43    46    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    46    47    45.00000  112.01100
   43    46    48    75.00000  107.44000
   43    46    49    90.00000  108.56700
   45    43    44    45.00000  125.66300
   46    43    44    90.00000  109.38000
   46    43    45    45.00000  108.72000
   46    48    50    70.00000  128.80000
   46    48    54    70.00000  125.80000
   48    46    47    55.00000  103.44000
   48    50    51    35.00000  123.05000
   48    50    52    70.00000  113.90000
   48    54    53    70.00000  106.20000
   48    54    55    70.00000  126.20000
   50    52    53    70.00000  103.80000
   52    50    51    35.00000  123.05000
   52    53    54    70.00000  110.40000
   52    53    59    70.00000  132.40000
   53    54    55    70.00000  127.70000
   53    59    58    70.00000  117.30000
   53    59    60    70.00000  123.50000
   54    48    50    70.00000  105.40000
   54    55    56    70.00000  111.00000
   55    56    57    35.00000  115.45000
   55    56    58    70.00000  129.10000
   56    58    59    70.00000  118.60000
   58    56    57    35.00000  115.45000
   58    59    60    70.00000  119.30000
   59    53    54    85.00000  116.20000
   59    60    61    35.00000  120.00000
   59    60    62    35.00000  120.00000
   62    60    61    35.00000  120.00000
   49    39    40    35.00000  109.50000
   49    39    41    90.00000  108.74100
   49    46    47    35.00000  109.50000
   49    46    48   105.00000  106.22000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.56750  1.0 1.0
   29    33    39    49  -0.07550 -1.0 2.0
   29    33    39    49   0.20000  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.60050  1.0 1.0
   33    39    41    43   0.05600 -1.0 2.0
   33    39    41    43   0.26150  1.0 3.0
   33    39    49    46   0.06250  1.0 1.0
   33    39    49    46  -0.01100 -1.0 2.0
   33    39    49    46   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.23400  1.0 3.0
   39    41    43    44   0.55300  1.0 1.0
   39    41    43    44   1.25850 -1.0 2.0
   39    41    43    44  -0.23600  1.0 3.0
   39    41    43    45   0.00000  1.0 1.0
   39    41   -43    46   0.60050  1.0 1.0
   39    41   -43    46   0.05600 -1.0 2.0
   39    41   -43    46   0.26150  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    46   0.37050  1.0 3.0
   41    39   -49    46  -1.11000  1.0 1.0
   41    39   -49    46   0.50250 -1.0 2.0
   41    39   -49    46   0.47450  1.0 3.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    48  -2.10200  1.0 1.0
   41    43    46    48  -0.31600 -1.0 2.0
   41    43    46    48   0.13050  1.0 3.0
   41    43   -46    49  -0.09450  1.0 1.0
   41    43   -46    49  -1.12950 -1.0 2.0
   41    43   -46    49   0.54000  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46    48    50   1.10250  1.0 1.0
   43    46    48    50   0.01650 -1.0 2.0
   43    46    48    50   0.39100  1.0 3.0
   43    46    48    54   1.10250  1.0 1.0
   43    46    48    54   0.01650 -1.0 2.0
   43    46    48    54   0.39100  1.0 3.0
   43    46   -49    39   0.06250  1.0 1.0
   43    46   -49    39  -0.01100 -1.0 2.0
   43    46   -49    39   0.28050  1.0 3.0
   44    43    46    47   0.23400  1.0 3.0
   44    43    46    48  -0.86350  1.0 1.0
   44    43    46    48   0.04750 -1.0 2.0
   44    43    46    49   1.11900  1.0 1.0
   44    43    46    49  -1.16350 -1.0 2.0
   44    43    46    49  -0.34150  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    49   0.23400  1.0 3.0
   46    48    50    51   3.62500 -1.0 2.0
   46    48    50    52   3.62500 -1.0 2.0
   46    48    54    53   0.81400  1.0 1.0
   46    48    54    53   1.55550 -1.0 2.0
   46    48    54    55   3.62500 -1.0 2.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    54   0.00000  1.0 1.0
   47    46    49    39   0.37050  1.0 3.0
   48    46    49    39  -2.37750  1.0 1.0
   48    46    49    39  -0.08150 -1.0 2.0
   48    46    49    39   0.59000  1.0 3.0
   48    50   -52    53   3.62500 -1.0 2.0
   48    54    55    56   3.62500 -1.0 2.0
   50    48   -54    53   0.70250  1.0 1.0
   50    48   -54    53   1.56150 -1.0 2.0
   50    48    54    55   3.62500 -1.0 2.0
   50    52   -53    54   3.62500 -1.0 2.0
   50    52    53    59   3.62500 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   52    53   -54    48   3.62500 -1.0 2.0
   52    53    54    55   3.62500 -1.0 2.0
   52    53    59    58   3.62500 -1.0 2.0
   52    53    59    60   3.62500 -1.0 2.0
   53    54    55    56   3.62500 -1.0 2.0
   53    59    60    61   0.70000 -1.0 2.0
   53    59    60    62   0.70000 -1.0 2.0
   54    48    50    51   3.62500 -1.0 2.0
   54    48   -50    52   3.62500 -1.0 2.0
   54    53    59    58   3.62500 -1.0 2.0
   54    53    59    60   3.62500 -1.0 2.0
   54    55    56    57   3.62500 -1.0 2.0
   54    55   -56    58   3.62500 -1.0 2.0
   55    56    58    59   3.62500 -1.0 2.0
   56    58   -59    53   3.62500 -1.0 2.0
   56    58    59    60   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   58    59    60    61   0.70000 -1.0 2.0
   58    59    60    62   0.70000 -1.0 2.0
   59    53    54    48   3.00000 -1.0 2.0
   59    53   -54    55   3.62500 -1.0 2.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.55300  1.0 1.0
   49    39   -41    43   1.25850 -1.0 2.0
   49    39   -41    43  -0.23600  1.0 3.0
   49    46    48    50   0.10350  1.0 1.0
   49    46    48    50  -0.15350 -1.0 2.0
   49    46    48    54   0.10350  1.0 1.0
   49    46    48    54  -0.15350 -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
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   50    54    48    46   4.00000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   54    59    53    52   4.00000 -1.0 2.0
   53    55    54    48   4.00000 -1.0 2.0
   58    57    56    55   1.10000 -1.0 2.0
   58    60    59    53   4.00000 -1.0 2.0
   62    59    60    61   1.00000 -1.0 2.0
END
