* LIGAND DATABASE FILE (OPLS2005)
*
001      67    69    122    189     353
    1     0 S   NP   _N1_     1    28.86984    92.20378   -21.98975
    2     1 S   H    _HN1     2     1.02834    16.19507   149.39074
    3     1 S   H    _H1_     3     1.02786    97.97541   -81.64442
    4     1 S   H    _H2_     4     1.02964    99.15122    28.40139
    5     1 S   CT   _CA1     5     1.50173   126.96676   152.73929
    6     5 S   HC   _HA1     6     1.09587   105.16091    58.39740
    7     5 S   CO3  _C1_     7     1.53606   112.26587   -61.52898
    8     7 S   O2Z  _O11     8     1.26413   115.19642   -46.84598
    9     7 S   O2Z  _O12     9     1.26188   114.91551   132.34507
   10     5 S   CT   _CB1    10     1.53056   107.31831   175.95126
   11    10 S   HC   HB11    11     1.09819   108.84751   -52.05495
   12    10 S   HC   HB12    12     1.09832   110.51043    64.21396
   13    10 S   CT   _CG1    13     1.53153   113.10150  -173.40900
   14    13 S   HC   HG11    14     1.09570   110.23614   -66.90667
   15    13 S   HC   HG12    15     1.09625   110.25420    52.37187
   16    13 S   C    _CD1    16     1.51919   111.88394   172.07695
   17    16 S   O    _OE1    17     1.22807   122.95491   -12.83298
   18    16 S   N    _N2_    18     1.38697   112.23364   168.21851
   19    18 S   H    _HN2    19     1.01592   119.25772     0.04846
   20    18 S   CT1  _CA2    20     1.46400   122.89453  -178.92334
   21    20 S   HC   _HA2    21     1.09745   109.09612   -13.93124
   22    20 S   C    _C2_    22     1.53379   108.72098  -129.60021
   23    22 S   O    _O2_    23     1.23029   122.12455  -147.92958
   24    20 S   CT   _CB2    32     1.53711   112.07593   107.77724
   25    24 S   HC   HB21    33     1.09484   109.20801    60.58668
   26    24 S   HC   HB22    34     1.09508   110.14907   179.65282
   27    22 S   N    _N3_    24     1.38469   113.43576    39.49968
   28    27 S   H    _HN3    25     1.01532   118.89191    -0.81132
   29    24 S   S    _SG2    35     1.82258   111.47085   -59.63184
   30    27 S   CT   _CA3    26     1.45452   123.52775   175.08813
   31    30 S   HC   HA31    27     1.09518   109.31725    22.67584
   32    30 S   HC   HA32    28     1.09497   107.10142   139.69750
   33    29 S   CT   _C11    36     1.83966   102.15971  -167.22510
   34    33 S   HC   _H4_    37     1.09475   106.30021    73.24359
   35    30 S   CO3  _C3_    29     1.52921   113.06578  -100.85429
   36    35 S   O2Z  _O31    30     1.26406   115.39406   -44.55228
   37    35 S   O2Z  _O32    31     1.26352   114.98998   136.36821
   38    33 S   CT   _C10    38     1.51915   114.69440   -50.71858
   39    38 S   HC   _H8_    39     1.09143   116.12718    40.35834
   40    38 S   HC   _H9_    40     1.09907   107.59991   158.85748
   41    38 S   CO   _C9_    41     1.52338   104.15357   -86.86182
   42    41 S   HC   _H3_    42     1.09599   111.42739  -143.92109
   43    41 S   N*   _N7_    43     1.45785   113.91139    96.13234
   44    41 S   OS   _O34    58     1.43382   106.48737   -25.92809
   45    43 S   CRAB _C4_    44     1.37860   123.88591    68.43949
   46    45 S   HA   _H6_    45     1.08180   122.07846     1.50063
   47    33 S   CT   _C12    59     1.54016   113.30905  -165.26247
   48    47 S   HC   _H5_    60     1.09846   108.85164  -157.40482
   49    45 S   NNA  _N4_    46     1.31775   112.50395  -177.71407
   50    47 S   CT   _C13    61     1.53109   117.60048   -33.51907
   51    50 S   HC   _H10    62     1.09517   110.47742    65.69579
   52    50 S   HC   _H11    63     1.09736   109.55529   -55.25036
   53    49 S   CB   _C5_    47     1.36391   103.94953    -1.02603
   54    50 S   OS   _O35    64     1.42982   108.95272  -175.01693
   55    43 S   CN   _C8_    48     1.36697   129.69025  -111.42209
   56    54 S   PR   _P1_    65     1.62385   116.10192  -176.77803
   57    56 S   OM   _O37    66     1.64406    98.48705    77.26531
   58    56 S   OM   _O36    67     1.64091    97.80267   176.55912
   59    55 S   NNC  _N6_    49     1.35084   127.07872    -0.95940
   60    59 S   CDX  _C7_    50     1.31018   114.14541   176.68601
   61    60 S   NNB  _N5_    51     1.40619   122.47885     0.86525
   62    61 S   H    _H7_    52     1.01627   117.65614  -179.12822
   63    60 S   NND  _N8_    55     1.36627   121.40888  -179.13521
   64    63 S   H    _H12    56     1.02168   120.11570    -1.75201
   65    63 S   H    _H13    57     1.01279   122.13878   178.40296
   66    53 S   C    _C6_    53     1.43958   128.75077   178.94427
   67    66 S   O    _O33    54     1.22486   123.81190     0.85798
  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  10   5   4   3
  14   8   2   1   1  11   6   5  12   5  10   8   6   3   6   4
   6   6   3   2   7   3   6   2   1   1   7   7   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    47    48    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    48    50    51    52    54  
   38    39    40    41    44    47    48    50  
   36    37  
   37  
    0  
   39    40    41    42    43    45    55    44    47    48    50  
   40    41    42    43    44    47  
   41    42    43    44    47  
   42    43    45    46    49    53    55    59    44    47    48    50  
   43    45    55    44    47  
   45    46    49    53    55    59    60    66    44    47  
   47    48    50    51    52    54    45    55  
   46    49    53    55    59    66  
   49    53    55  
   48    50    51    52    54    56  
   50    51    52    54  
   53    55    59    61    66    67  
   51    52    54    56    57    58  
   52    54    56  
   54    56  
   55    59    60    61    62    66    67  
   56    57    58  
   59    60    61    66    67    63  
   57    58  
   58  
    0  
   60    61    62    66    63    64    65  
   61    62    66    67    63    64    65  
   62    66    67    63    64    65  
   66    67    63  
   64    65    66  
   65  
    0  
   67  
    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   0.107500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   43   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   50   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0800   0.120000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -1.312500   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0800   0.340000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   57   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   58   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   59   3.2500   0.1700  -0.510000   1.9250   1.7000   0.054801302  -2.445846770
   60   3.5000   0.0800   0.460000   2.1120   1.8750   0.001000000  -0.126889456
   61   3.2500   0.1700  -0.560000   2.1120   1.8750   0.051222218  -2.220205820
   62   0.0000   0.0000   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   63   3.2500   0.1700  -0.800000   2.1120   1.8750   0.051222218  -2.220205820
   64   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   65   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.7500   0.1050   0.520000   1.9250   1.7000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.510000   1.5250   1.4250   0.001000000  -1.480495490
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   268.000  1.529
   33    47   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   250.000  1.527
   41    42   340.000  1.090
   41    43   275.000  1.479
   41    44   320.000  1.380
   43    45   440.000  1.371
   43    55   436.000  1.374
   45    46   367.000  1.080
   45    49   529.000  1.304
   49    53   414.000  1.391
   53    55   520.000  1.370
   53    66   447.000  1.419
   55    59   461.000  1.354
   59    60   585.000  1.311
   60    61   427.000  1.381
   60    63   481.000  1.340
   61    62   434.000  1.010
   61    66   418.000  1.388
   66    67   570.000  1.229
   63    64   434.000  1.010
   63    65   434.000  1.010
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   320.000  1.410
   54    56   325.000  1.672
   56    57   325.000  1.672
   56    58   325.000  1.672
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    75.00000  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    75.00000  109.43000
   33    47    44    50.00000  109.50000
   33    47    48    37.50000  110.70000
   33    47    50    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    45.00000  112.01100
   38    41    43    75.00000  107.44000
   38    41    44    90.00000  108.56700
   40    38    39    33.00000  107.80000
   41    38    39    45.00000  108.72000
   41    38    40    45.00000  108.72000
   41    43    45    70.00000  128.80000
   41    43    55    70.00000  125.80000
   41    44    47    60.00000  109.50000
   43    41    42    55.00000  103.44000
   43    45    46    35.00000  123.05000
   43    45    49    70.00000  113.90000
   43    55    53    70.00000  106.20000
   43    55    59    70.00000  126.20000
   45    49    53    70.00000  103.80000
   49    45    46    35.00000  123.05000
   49    53    55    70.00000  110.40000
   49    53    66    70.00000  130.00000
   53    55    59    70.00000  127.70000
   53    66    61    70.00000  111.30000
   53    66    67    80.00000  128.80000
   55    43    45    70.00000  105.40000
   55    59    60    70.00000  112.20000
   59    60    61    70.00000  123.30000
   59    60    63    70.00000  119.30000
   60    61    62    35.00000  118.00000
   60    61    66    70.00000  125.20000
   60    63    64    35.00000  120.00000
   60    63    65    35.00000  120.00000
   61    66    67    80.00000  120.60000
   66    53    55    85.00000  119.20000
   66    61    62    35.00000  116.80000
   63    60    61    70.00000  116.00000
   65    63    64    35.00000  120.00000
   44    41    42    35.00000  109.50000
   44    41    43   105.00000  106.22000
   44    47    48    35.00000  109.50000
   44    47    50    50.00000  109.50000
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    54    50.00000  109.50000
   50    47    48    37.50000  110.70000
   50    54    56   100.00000  120.50000
   52    50    51    33.00000  107.80000
   54    50    51    35.00000  109.50000
   54    50    52    35.00000  109.50000
   54    56    57    45.00000  102.60000
   54    56    58    45.00000  102.60000
   58    56    57    35.00000   94.00000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    50   0.44750  1.0 1.0
   29    33    47    50  -0.17800 -1.0 2.0
   29    33    47    50   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43  -0.64600  1.0 1.0
   33    38    41    43   0.58400 -1.0 2.0
   33    38   -41    44   0.62750  1.0 1.0
   33    38   -41    44  -0.30950 -1.0 2.0
   33    38   -41    44   0.27300  1.0 3.0
   33    47    50    51   0.15000  1.0 3.0
   33    47    50    52   0.15000  1.0 3.0
   33    47    50    54   0.62750  1.0 1.0
   33    47    50    54  -0.30950 -1.0 2.0
   33    47    50    54   0.27300  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    47    44   0.23400  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    50   0.15000  1.0 3.0
   38    33   -47    44   0.62750  1.0 1.0
   38    33   -47    44  -0.30950 -1.0 2.0
   38    33   -47    44   0.27300  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    50   0.56750  1.0 1.0
   38    33    47    50  -0.07550 -1.0 2.0
   38    33    47    50   0.20000  1.0 3.0
   38    41    43    45   1.10250  1.0 1.0
   38    41    43    45   0.01650 -1.0 2.0
   38    41    43    45   0.39100  1.0 3.0
   38    41    43    55   1.10250  1.0 1.0
   38    41    43    55   0.01650 -1.0 2.0
   38    41    43    55   0.39100  1.0 3.0
   38    41   -44    47   0.06250  1.0 1.0
   38    41   -44    47  -0.01100 -1.0 2.0
   38    41   -44    47   0.28050  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.23400  1.0 3.0
   41    43    45    46   3.62500 -1.0 2.0
   41    43    45    49   3.62500 -1.0 2.0
   41    43    55    53   0.81400  1.0 1.0
   41    43    55    53   1.55550 -1.0 2.0
   41    43    55    59   3.62500 -1.0 2.0
   41    44   -47    33   0.06250  1.0 1.0
   41    44   -47    33  -0.01100 -1.0 2.0
   41    44   -47    33   0.28050  1.0 3.0
   41    44    47    48   0.37050  1.0 3.0
   41    44    47    50   0.06250  1.0 1.0
   41    44    47    50  -0.01100 -1.0 2.0
   41    44    47    50   0.28050  1.0 3.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    55   0.00000  1.0 1.0
   42    41    44    47   0.37050  1.0 3.0
   43    41    44    47  -2.37750  1.0 1.0
   43    41    44    47  -0.08150 -1.0 2.0
   43    41    44    47   0.59000  1.0 3.0
   43    45   -49    53   3.62500 -1.0 2.0
   43    55    59    60   1.25000 -1.0 2.0
   45    43   -55    53   0.70250  1.0 1.0
   45    43   -55    53   1.56150 -1.0 2.0
   45    43    55    59   3.62500 -1.0 2.0
   45    49   -53    55   3.62500 -1.0 2.0
   45    49    53    66   3.62500 -1.0 2.0
   46    45    49    53   3.62500 -1.0 2.0
   49    53   -55    43   3.62500 -1.0 2.0
   49    53    55    59   3.62500 -1.0 2.0
   49    53    66    61   5.37500 -1.0 2.0
   49    53    66    67   0.41000 -1.0 2.0
   53    55    59    60   3.62500 -1.0 2.0
   55    43    45    46   3.62500 -1.0 2.0
   55    43   -45    49   3.62500 -1.0 2.0
   55    53    66    61   1.50000 -1.0 2.0
   55    53    66    67   1.05000 -1.0 2.0
   55    59   -60    61   3.62500 -1.0 2.0
   55    59    60    63   3.62500 -1.0 2.0
   59    60    61    62   3.62500 -1.0 2.0
   59    60    61    66   3.62500 -1.0 2.0
   59    60    63    64   0.70000 -1.0 2.0
   59    60    63    65   0.70000 -1.0 2.0
   60    61   -66    53   1.52500 -1.0 2.0
   60    61    66    67   3.04450 -1.0 2.0
   61    60    63    64   1.01500 -1.0 2.0
   61    60    63    65   1.01500 -1.0 2.0
   62    61    66    53   1.52500 -1.0 2.0
   62    61    66    67   2.45000 -1.0 2.0
   66    53    55    43   3.62500 -1.0 2.0
   66    53   -55    59   3.62500 -1.0 2.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    66   3.62500 -1.0 2.0
   44    41    43    45   0.10350  1.0 1.0
   44    41    43    45  -0.15350 -1.0 2.0
   44    41    43    55   0.10350  1.0 1.0
   44    41    43    55  -0.15350 -1.0 2.0
   44    47    50    51   0.23400  1.0 3.0
   44    47    50    52   0.23400  1.0 3.0
   44    47    50    54   1.11900  1.0 1.0
   44    47    50    54  -1.16350 -1.0 2.0
   44    47    50    54  -0.34150  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33    38    40   0.15000  1.0 3.0
   47    33   -38    41   3.97050  1.0 1.0
   47    50    54    56  -2.65550  1.0 1.0
   47    50    54    56  -0.22350 -1.0 2.0
   47    50    54    56   0.24150  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    54   0.23400  1.0 3.0
   50    54    56    57   0.05050  1.0 1.0
   50    54    56    57  -1.30700 -1.0 2.0
   50    54    56    57   0.91550  1.0 3.0
   50    54    56    58   0.05050  1.0 1.0
   50    54    56    58  -1.30700 -1.0 2.0
   50    54    56    58   0.91550  1.0 3.0
   51    50    54    56   0.03000  1.0 3.0
   52    50    54    56   0.03000  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
   36    30    35    37  10.50000 -1.0 2.0
   45    55    43    41   4.00000 -1.0 2.0
   49    46    45    43   1.10000 -1.0 2.0
   55    66    53    49   4.00000 -1.0 2.0
   53    59    55    43   4.00000 -1.0 2.0
   61    63    60    59  10.50000 -1.0 2.0
   62    60    61    66   1.00000 -1.0 2.0
   53    61    66    67  10.50000 -1.0 2.0
   65    60    63    64   1.00000 -1.0 2.0
END
