* LIGAND DATABASE FILE (OPLS2005)
*
001      61    62    110    167     319
    1     0 S   NP   _N1_     1    29.92548    91.23053   -18.66565
    2     1 S   H    _HN1     2     1.02943   123.23188    95.35424
    3     1 S   H    _H1_     3     1.02755    20.34627    53.31060
    4     1 S   H    _H2_     4     1.03227   110.43268   -33.16647
    5     1 S   CT   _CA1     5     1.50134    92.41010  -148.28476
    6     5 S   HC   _HA1     6     1.09567   105.36208    47.24236
    7     5 S   CO3  _C1_     7     1.53696   112.44242   -73.23753
    8     7 S   O2Z  _O11     8     1.26376   115.05520   -45.60649
    9     7 S   O2Z  _O12     9     1.26247   114.95094   133.64423
   10     5 S   CT   _CB1    10     1.52856   107.16329   164.92824
   11    10 S   HC   HB11    11     1.09728   108.85860   -54.39513
   12    10 S   HC   HB12    12     1.09802   110.25079    61.76566
   13    10 S   CT   _CG1    13     1.52967   113.54455  -175.02094
   14    13 S   HC   HG11    14     1.09554   111.29339   -68.06327
   15    13 S   HC   HG12    15     1.09585   110.78500    51.58273
   16    13 S   C    _CD1    16     1.51453   109.67960   170.98162
   17    16 S   O    _OE1    17     1.22850   121.80874  -101.14531
   18    16 S   N    _N2_    18     1.38337   112.90439    76.82594
   19    18 S   H    _HN2    19     1.01564   119.26424     7.80939
   20    18 S   CT1  _CA2    20     1.45649   122.77843  -175.21058
   21    20 S   HC   _HA2    21     1.09564   108.45043    24.85176
   22    20 S   C    _C2_    22     1.52896   107.66788   -91.91903
   23    22 S   O    _O2_    23     1.22936   122.94871   -26.38101
   24    20 S   CT   _CB2    32     1.53408   112.42773   147.76607
   25    24 S   HC   HB21    33     1.09678   109.50100    67.64341
   26    24 S   HC   HB22    34     1.09528   110.94430  -175.49115
   27    22 S   N    _N3_    24     1.38636   112.34997   156.46338
   28    27 S   H    _HN3    25     1.01491   119.76448     0.91877
   29    24 S   S    _SG2    35     1.82935   114.47669   -51.28940
   30    27 S   CT   _CA3    26     1.45447   122.79511   175.46318
   31    30 S   HC   HA31    27     1.09541   108.91732    30.92352
   32    30 S   HC   HA32    28     1.09479   107.18498   148.04409
   33    29 S   CT   _C11    36     1.84061   100.94383   -68.40390
   34    33 S   Cl   Cl2_    37     1.79513   109.13077   -78.76732
   35    33 S   HC   _H4_    38     1.09336   109.35978    37.09787
   36    30 S   CO3  _C3_    29     1.53050   113.59020   -92.08000
   37    36 S   O2Z  _O31    30     1.26374   115.79735   -31.75384
   38    36 S   O2Z  _O32    31     1.26408   114.69698   149.11962
   39    33 S   CT   _C10    39     1.55536   112.99473   158.27845
   40    39 S   HC   _H3_    40     1.10039   106.72478   173.74361
   41    39 S   NM   _N5_    41     1.46978   109.07744   -67.37110
   42    39 S   NE   _N6_    54     1.46403   110.47786    57.10188
   43    42 S   H    _H9_    55     1.01395   118.04640    29.63400
   44    41 S   SY   _S2_    42     1.59274   112.04949  -175.04670
   45    44 S   OY   _O35    43     1.46098   113.61353  -157.90169
   46    44 S   OY   _O36    44     1.45970   115.34860    65.42619
   47    44 S   CA   _C6_    45     1.79277   105.81967   -46.12194
   48    47 S   CA   _C7_    46     1.39576   119.23890  -161.67753
   49    48 S   HA   _H6_    47     1.08561   119.60483    -2.45296
   50    48 S   CA   _C8_    48     1.39560   118.87540   177.59792
   51    50 S   CA   _C9_    49     1.40097   119.92831    -0.03426
   52    51 S   Cl   Cl1_    50     1.72888   123.53114  -179.58457
   53    50 S   SY   _S1_    56     1.77302   118.03344   179.39867
   54    53 S   OY   _O33    57     1.44826   107.58461  -128.30343
   55    53 S   OY   _O34    58     1.44978   108.27132     3.71093
   56    51 S   CA   _C4_    51     1.40416   119.74800    -0.09279
   57    56 S   HA   _H5_    52     1.08919   119.55416  -179.55545
   58    53 S   NS   _N4_    59     1.70170   101.41089   116.58325
   59    58 S   H    _H7_    60     1.02610   116.53457   109.79344
   60    58 S   H    _H8_    61     1.02593   116.57522  -110.87445
   61    47 S   CA   _C5_    53     1.39676   117.81759    16.44398
  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   8   3   8   4   3   8  10
   4  11   8   4   6   4   3   2   1   2   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    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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    61    42    43  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    44    45    46    47    56    61    42    43  
   41    44    61    42    43  
   44    45    46    47    48    61    42    43  
   43    44    47    48    51    56    57    61  
   47    56    61  
   45    46    47    48    49    50    56    61  
   46    47    48    61  
   47    48    61  
   48    49    50    51    56    57    61    53  
   49    50    51    52    56    61    53    54    55    58  
   50    51    61    53  
   51    52    56    57    61    53    54    55    58    59    60  
   52    56    57    61    53    54    55    58  
   56    57    61    53  
   54    55    58    59    60    56  
   55    58    59    60  
   58    59    60  
   57    61  
   61  
   59    60  
   60  
    0  
    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  -0.175000   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   0.104500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   35   2.5000   0.0300   0.103000   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   4.2000   0.3000   0.558100   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150  -0.153700   1.4250   1.2500   0.008598240   0.268726247
   41   3.4200   0.1700  -1.076600   1.9310   1.7100   0.005000000   0.000000000
   42   3.3000   0.1700  -0.702500   1.8650   1.6500   0.051222218  -2.220205820
   43   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.2500   1.758100   2.0020   1.7750   0.025682759  -1.666211680
   45   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   46   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.395200   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   53   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   54   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   55   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.2500   0.1700  -0.767800   1.8100   1.6000   0.054801302  -1.445846770
   59   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
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   245.000  1.781
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   320.000  1.444
   39    42   382.000  1.448
   41    44   350.000  1.613
   44    45   735.000  1.471
   44    46   735.000  1.471
   44    47   225.000  1.779
   47    48   469.000  1.400
   47    61   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   469.000  1.400
   50    53   225.000  1.779
   51    52   300.000  1.725
   51    56   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    42   481.000  1.340
   42    43   434.000  1.010
   53    54   735.000  1.471
   53    55   735.000  1.471
   53    58   245.000  1.722
   58    59   500.000  1.020
   58    60   500.000  1.020
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    85.00000  110.65400
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    80.00000  110.21000
   33    39    42    80.00000  111.61500
   35    33    34    51.00000  107.60000
   39    33    34    69.00000  109.80000
   39    33    35    37.50000  110.70000
   39    41    44    80.00000  116.74600
   39    42    61    50.00000  120.00000
   39    42    43    35.00000  112.50000
   41    39    40    45.00000  113.03500
   41    44    45   105.00000  114.79700
   41    44    46   105.00000  114.79700
   41    44    47   105.00000   98.50000
   44    47    48    65.00000  117.06700
   44    47    61    65.00000  117.06700
   46    44    45   115.00000  120.17200
   47    44    45   100.00000  107.67100
   47    44    46   100.00000  107.67100
   47    48    49    35.00000  120.00000
   47    48    50    63.00000  120.00000
   47    61    56    63.00000  120.00000
   47    61    42    70.00000  120.10000
   48    50    51    63.00000  120.00000
   48    50    53    65.00000  117.06700
   50    48    49    35.00000  120.00000
   50    51    52    75.00000  120.00000
   50    51    56    63.00000  120.00000
   50    53    54   100.00000  107.67100
   50    53    55   100.00000  107.67100
   50    53    58    95.00000  101.59200
   51    56    57    35.00000  120.00000
   51    56    61    63.00000  120.00000
   56    51    52    75.00000  120.00000
   56    61    42    70.00000  120.10000
   61    47    48    63.00000  120.00000
   61    56    57    35.00000  120.00000
   61    42    43    35.00000  113.50000
   42    39    40    35.00000  109.50000
   42    39    41    85.00000  107.56000
   53    50    51    65.00000  117.06700
   53    58    59    50.00000  110.93800
   53    58    60    50.00000  110.93800
   55    53    54   115.00000  120.17200
   58    53    54   115.00000  107.22500
   58    53    55   115.00000  107.22500
   60    58    59    35.00000  109.80100
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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    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    39    41    44  -0.71500  1.0 1.0
   33    39    41    44  -0.42400 -1.0 2.0
   33    39    41    44   0.18500  1.0 3.0
   33    39    42    61  -0.12500  1.0 1.0
   33    39    42    61  -0.12500 -1.0 2.0
   33    39    42    61   0.25000  1.0 3.0
   33    39    42    43   0.00000  1.0 1.0
   34    33    39    40   0.27000  1.0 3.0
   34    33    39    41   0.56750  1.0 1.0
   34    33    39    41  -0.07550 -1.0 2.0
   34    33    39    41   0.20000  1.0 3.0
   34    33    39    42   1.15000  1.0 1.0
   34    33    39    42  -0.54150 -1.0 2.0
   34    33    39    42   0.79350  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.22950  1.0 3.0
   39    41    44    45  -0.30400  1.0 1.0
   39    41    44    45   0.50450 -1.0 2.0
   39    41    44    45   0.65550  1.0 3.0
   39    41    44    46  -0.30400  1.0 1.0
   39    41    44    46   0.50450 -1.0 2.0
   39    41    44    46   0.65550  1.0 3.0
   39    41    44    47  -0.64500  1.0 1.0
   39    41    44    47  -1.19050 -1.0 2.0
   39    41    44    47  -0.04400  1.0 3.0
   40    39    41    44   0.15000  1.0 3.0
   40    39    42    61   0.00000  1.0 1.0
   40    39    42    43   0.00000  1.0 1.0
   41    39    42    61  -0.12500  1.0 1.0
   41    39    42    61  -0.12500 -1.0 2.0
   41    39    42    61   0.25000  1.0 3.0
   41    39    42    43  -0.12500  1.0 1.0
   41    39    42    43  -0.12500 -1.0 2.0
   41    39    42    43   0.25000  1.0 3.0
   41    44    47    48  -0.49050  1.0 1.0
   41    44    47    48   0.22250 -1.0 2.0
   41    44    47    48  -0.39350  1.0 3.0
   41    44   -47    61  -0.49050  1.0 1.0
   41    44   -47    61   0.22250 -1.0 2.0
   41    44   -47    61  -0.39350  1.0 3.0
   44    47    48    49   3.62500 -1.0 2.0
   44    47    48    50   3.62500 -1.0 2.0
   44    47    61    56   3.62500 -1.0 2.0
   44    47    61    42   3.62500 -1.0 2.0
   45    44    47    48   0.19500  1.0 1.0
   45    44    47    48   0.12000 -1.0 2.0
   45    44    47    61   0.19500  1.0 1.0
   45    44    47    61   0.12000 -1.0 2.0
   46    44    47    48   0.19500  1.0 1.0
   46    44    47    48   0.12000 -1.0 2.0
   46    44    47    61   0.19500  1.0 1.0
   46    44    47    61   0.12000 -1.0 2.0
   47    48    50    51   3.62500 -1.0 2.0
   47    48    50    53   3.62500 -1.0 2.0
   47    61   -42    39  -1.00000  1.0 1.0
   47    61   -42    39   1.25000 -1.0 2.0
   47    61    42    43   1.00000 -1.0 2.0
   48    47    61    56   3.62500 -1.0 2.0
   48    47    61    42   3.62500 -1.0 2.0
   48    50    51    52   3.62500 -1.0 2.0
   48    50   -51    56   3.62500 -1.0 2.0
   48    50    53    54   0.19500  1.0 1.0
   48    50    53    54   0.12000 -1.0 2.0
   48    50    53    55   0.19500  1.0 1.0
   48    50    53    55   0.12000 -1.0 2.0
   48    50    53    58  -0.49050  1.0 1.0
   48    50    53    58   0.22250 -1.0 2.0
   48    50    53    58  -0.39350  1.0 3.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    53   3.62500 -1.0 2.0
   50    51    56    57   3.62500 -1.0 2.0
   50    51    56    61   3.62500 -1.0 2.0
   50    53    58    59   1.01100  1.0 1.0
   50    53    58    59  -0.22250 -1.0 2.0
   50    53    58    59   1.33750  1.0 3.0
   50    53    58    60   1.01100  1.0 1.0
   50    53    58    60  -0.22250 -1.0 2.0
   50    53    58    60   1.33750  1.0 3.0
   51    50    53    54   0.19500  1.0 1.0
   51    50    53    54   0.12000 -1.0 2.0
   51    50    53    55   0.19500  1.0 1.0
   51    50    53    55   0.12000 -1.0 2.0
   51    50    53    58  -0.49050  1.0 1.0
   51    50    53    58   0.22250 -1.0 2.0
   51    50    53    58  -0.39350  1.0 3.0
   51    56   -61    47   3.62500 -1.0 2.0
   51    56    61    42   3.62500 -1.0 2.0
   52    51    56    57   3.62500 -1.0 2.0
   52    51    56    61   3.62500 -1.0 2.0
   56    61    42    39  -1.00000  1.0 1.0
   56    61    42    39   1.25000 -1.0 2.0
   56    61    42    43   1.00000 -1.0 2.0
   57    56    61    47   3.62500 -1.0 2.0
   57    56    61    42   3.62500 -1.0 2.0
   61    47    48    49   3.62500 -1.0 2.0
   61    47   -48    50   3.62500 -1.0 2.0
   42    39   -41    44   0.00000  1.0 1.0
   53    50    51    52   3.62500 -1.0 2.0
   53    50    51    56   3.62500 -1.0 2.0
   54    53    58    59   1.12100  1.0 1.0
   54    53    58    59   0.54800 -1.0 2.0
   54    53    58    59  -0.29400  1.0 3.0
   54    53    58    60   1.12100  1.0 1.0
   54    53    58    60   0.54800 -1.0 2.0
   54    53    58    60  -0.29400  1.0 3.0
   55    53    58    59   1.12100  1.0 1.0
   55    53    58    59   0.54800 -1.0 2.0
   55    53    58    59  -0.29400  1.0 3.0
   55    53    58    60   1.12100  1.0 1.0
   55    53    58    60   0.54800 -1.0 2.0
   55    53    58    60  -0.29400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   48    61    47    44   4.00000 -1.0 2.0
   50    49    48    47   1.10000 -1.0 2.0
   51    53    50    48   4.00000 -1.0 2.0
   56    52    51    50   4.00000 -1.0 2.0
   61    57    56    51   1.10000 -1.0 2.0
   56    42    61    47   4.00000 -1.0 2.0
   43    61    42    39   1.00000 -1.0 2.0
   60    53    58    59   1.00000 -1.0 2.0
END
