* LIGAND DATABASE FILE (OPLS2005)
*
001      66    68    120    188     350
    1     0 S   NP   _N1_     1    28.81661    94.34174   -23.40135
    2     1 S   H    _HN1     2     1.02964    82.33820    30.69072
    3     1 S   H    _H1_     3     1.02835    27.37467  -174.83324
    4     1 S   H    _H2_     4     1.02778   105.79014   -76.27050
    5     1 S   CT   _CA1     5     1.50127   132.43333   141.35825
    6     5 S   HC   _HA1     6     1.09577   105.21562    78.96554
    7     5 S   CO3  _C1_     7     1.53776   112.42977   -41.19618
    8     7 S   O2Z  _O11     8     1.26355   115.00318   -42.72362
    9     7 S   O2Z  _O12     9     1.26241   114.92046   136.44097
   10     5 S   CT   _CB1    10     1.53094   107.42209  -163.15113
   11    10 S   HC   HB11    11     1.09825   109.26750   -50.98985
   12    10 S   HC   HB12    12     1.09820   110.42618    65.53428
   13    10 S   CT   _CG1    13     1.53019   112.72273  -172.12206
   14    13 S   HC   HG11    14     1.09594   110.42947   -64.75107
   15    13 S   HC   HG12    15     1.09654   109.99169    54.48428
   16    13 S   C    _CD1    16     1.51813   112.31950   174.77580
   17    16 S   O    _OE1    17     1.22736   123.25901    -1.98396
   18    16 S   N    _N2_    18     1.38657   111.67270   178.26235
   19    18 S   H    _HN2    19     1.01593   119.05667     0.58717
   20    18 S   CT1  _CA2    20     1.46089   123.30888   179.43698
   21    20 S   HC   _HA2    21     1.09589   109.24311    -9.10334
   22    20 S   C    _C2_    22     1.53491   108.73586  -124.22634
   23    22 S   O    _O2_    23     1.23032   122.09308  -148.17598
   24    20 S   CT   _CB2    32     1.53377   111.75364   113.31248
   25    24 S   HC   HB21    33     1.09653   109.63466    60.48110
   26    24 S   HC   HB22    34     1.09568   110.95164   177.86146
   27    22 S   N    _N3_    24     1.38469   113.50564    39.41859
   28    27 S   H    _HN3    25     1.01513   118.92549    -0.97317
   29    24 S   S    _SG2    35     1.82842   114.63560   -59.45862
   30    27 S   CT   _CA3    26     1.45455   123.53961   174.68330
   31    30 S   HC   HA31    27     1.09516   109.34317    22.51961
   32    30 S   HC   HA32    28     1.09497   107.10834   139.57521
   33    29 S   CT   _C13    36     1.82642    99.75675   -67.41049
   34    33 S   HC   _H9_    37     1.09475   108.01953   -52.40602
   35    33 S   HC   _H10    38     1.09233   108.63646    66.04908
   36    30 S   CO3  _C3_    29     1.52928   112.99829  -101.00055
   37    36 S   O2Z  _O31    30     1.26412   115.37558   -44.57004
   38    36 S   O2Z  _O32    31     1.26346   114.99830   136.29642
   39    33 S   CT   _C12    39     1.52821   110.52648  -172.99358
   40    39 S   HC   _H6_    40     1.09882   110.69542   -49.83685
   41    39 S   CT   _C11    41     1.52919   113.15788  -174.25799
   42    41 S   HC   _H5_    42     1.09813   109.30900   -44.52150
   43    41 S   CT   _C10    43     1.52316   101.51141  -158.69461
   44    43 S   HC   _H4_    44     1.09495   112.66709   159.86229
   45    41 S   NTH2 _N8_    64     1.45424   114.11887    77.48610
   46    45 S   H    _H11    65     1.01878   110.28474   -66.45561
   47    45 S   H    _H12    66     1.01885   109.87715   176.20646
   48    43 S   CO   _C9_    45     1.52936   102.13527    36.45092
   49    48 S   HC   _H3_    46     1.09607   112.62361  -140.44294
   50    43 S   OH   _O34    62     1.42823   110.81206   -79.28402
   51    50 S   HO   _H13    63     0.97274   107.49247   179.88986
   52    48 S   N*   _N6_    47     1.45359   113.12978    97.86553
   53    39 S   OS   _O33    61     1.44299   110.36763    69.03927
   54    52 S   CRAB _C8_    48     1.36867   127.74107   -96.06740
   55    54 S   HA   _H8_    49     1.08165   122.87999    -0.50937
   56    54 S   NNA  _N7_    50     1.31666   112.05881   179.46368
   57    56 S   C56B _C6_    51     1.37524   105.06570    -0.08156
   58    52 S   C56A _C7_    52     1.36994   125.07191    83.11716
   59    58 S   NB   _N5_    53     1.34215   127.75730     0.20558
   60    59 S   CQ   _C4_    54     1.34744   110.61037  -179.91153
   61    60 S   HA   _H7_    55     1.08493   115.79566  -179.88986
   62    60 S   NB   _N4_    56     1.35366   128.65559     0.12820
   63    57 S   CA   _C5_    57     1.40357   131.80598  -179.85329
   64    63 S   NND  _N9_    58     1.38114   122.23672    -0.20367
   65    64 S   H    _H14    59     1.01084   120.41460    -0.11535
   66    64 S   H    _H15    60     1.01020   119.36229  -179.97202
  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
  10   5   4   2   1   1  13   6  12   8  12   7   5   1   1  11
   5   3   1   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    53  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    48    53    45  
   35    39    40    41    53  
   39    40    41    53  
   37    38  
   38  
    0  
   40    41    42    43    44    48    49    52    53    50    45    46    47  
   41    42    43    48    53    45  
   42    43    44    48    49    52    53    50    51    45    46    47  
   43    44    48    53    50    45    46    47  
   44    48    49    52    54    58    53    50    51    45    46    47  
   48    49    52    53    50    51    45  
   46    47    48    50    53  
   47  
    0  
   49    52    54    55    56    57    58    59    53    50    51  
   52    54    58    53    50  
   51    52    53  
    0  
   54    55    56    57    58    59    60    63    53  
   54    58  
   55    56    57    58    59    63  
   56    57    58  
   57    58    59    62    63    64  
   58    59    60    62    63    64    65    66  
   59    60    61    62    63    64  
   60    61    62    63  
   61    62    63    64  
   62    63  
   63    64    65    66  
   64    65    66  
   65    66  
   66  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   46   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   47   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   56   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   57   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   60   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   62   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   63   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   65   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   66   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   268.000  1.529
   39    53   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   300.000  1.468
   43    44   340.000  1.090
   43    48   250.000  1.527
   43    50   320.000  1.410
   48    49   340.000  1.090
   48    52   275.000  1.479
   48    53   320.000  1.380
   52    54   440.000  1.371
   52    58   436.000  1.374
   54    55   367.000  1.080
   54    56   529.000  1.304
   56    57   414.000  1.391
   57    58   447.000  1.419
   57    63   469.000  1.404
   58    59   461.000  1.354
   59    60   502.000  1.324
   60    61   367.000  1.080
   60    62   502.000  1.324
   62    63   483.000  1.339
   63    64   481.000  1.340
   64    65   434.000  1.010
   64    66   434.000  1.010
   50    51   553.000  0.945
   45    46   495.000  1.019
   45    47   495.000  1.019
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    58.35000  112.70000
   33    39    53    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    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    80.00000  112.76400
   39    53    48    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    48    75.00000  109.43000
   41    43    50    50.00000  109.50000
   41    45    46    50.00000  110.30900
   41    45    47    50.00000  110.30900
   43    41    42    37.50000  110.70000
   43    48    49    45.00000  112.01100
   43    48    52    75.00000  107.44000
   43    48    53    90.00000  108.56700
   43    50    51    55.00000  108.50000
   48    43    44    45.00000  108.72000
   48    52    54    70.00000  128.80000
   48    52    58    70.00000  125.80000
   52    48    49    55.00000  103.44000
   52    54    55    35.00000  123.05000
   52    54    56    70.00000  113.90000
   52    58    57    70.00000  106.20000
   52    58    59    70.00000  126.20000
   54    56    57    70.00000  103.80000
   56    54    55    35.00000  123.05000
   56    57    58    70.00000  110.40000
   56    57    63    70.00000  132.40000
   57    58    59    70.00000  127.70000
   57    63    62    70.00000  117.30000
   57    63    64    70.00000  123.50000
   58    52    54    70.00000  105.40000
   58    59    60    70.00000  111.00000
   59    60    61    35.00000  115.45000
   59    60    62    70.00000  129.10000
   60    62    63    70.00000  118.60000
   62    60    61    35.00000  115.45000
   62    63    64    70.00000  119.30000
   63    57    58    85.00000  116.20000
   63    64    65    35.00000  120.00000
   63    64    66    35.00000  120.00000
   66    64    65    35.00000  120.00000
   53    39    40    35.00000  109.50000
   53    39    41    50.00000  109.50000
   53    48    49    35.00000  109.50000
   53    48    52   105.00000  106.22000
   50    43    44    35.00000  109.50000
   50    43    48    90.00000  111.58700
   45    41    42    50.00000  110.79000
   45    41    43    80.00000  112.76400
   47    45    46    40.00000  106.77200
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   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    53   0.56750  1.0 1.0
   29    33    39    53  -0.07550 -1.0 2.0
   29    33    39    53   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   1.53400  1.0 1.0
   33    39    41    45  -0.09950 -1.0 2.0
   33    39    41    45   0.05700  1.0 3.0
   33    39    53    48   0.06250  1.0 1.0
   33    39    53    48  -0.01100 -1.0 2.0
   33    39    53    48   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    53   0.23400  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    53   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    48   3.97050  1.0 1.0
   39    41    43    50   0.86500  1.0 1.0
   39    41    43    50  -0.17500 -1.0 2.0
   39    41    43    50   0.20800  1.0 3.0
   39    41    45    46   0.21650  1.0 1.0
   39    41    45    46   0.26250 -1.0 2.0
   39    41    45    46   0.12450  1.0 3.0
   39    41    45    47   0.21650  1.0 1.0
   39    41    45    47   0.26250 -1.0 2.0
   39    41    45    47   0.12450  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.15000  1.0 3.0
   40    39    53    48   0.37050  1.0 3.0
   41    39   -53    48   0.06250  1.0 1.0
   41    39   -53    48  -0.01100 -1.0 2.0
   41    39   -53    48   0.28050  1.0 3.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    52  -0.64600  1.0 1.0
   41    43    48    52   0.58400 -1.0 2.0
   41    43   -48    53   0.62750  1.0 1.0
   41    43   -48    53  -0.30950 -1.0 2.0
   41    43   -48    53   0.27300  1.0 3.0
   41    43    50    51  -0.11600  1.0 1.0
   41    43    50    51  -0.09450 -1.0 2.0
   41    43    50    51   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    48   0.15000  1.0 3.0
   42    41    43    50   0.23400  1.0 3.0
   42    41    45    46   0.20000  1.0 3.0
   42    41    45    47   0.20000  1.0 3.0
   43    41    45    46   0.21650  1.0 1.0
   43    41    45    46   0.26250 -1.0 2.0
   43    41    45    46   0.12450  1.0 3.0
   43    41    45    47   0.21650  1.0 1.0
   43    41    45    47   0.26250 -1.0 2.0
   43    41    45    47   0.12450  1.0 3.0
   43    48    52    54   1.10250  1.0 1.0
   43    48    52    54   0.01650 -1.0 2.0
   43    48    52    54   0.39100  1.0 3.0
   43    48    52    58   1.10250  1.0 1.0
   43    48    52    58   0.01650 -1.0 2.0
   43    48    52    58   0.39100  1.0 3.0
   43    48   -53    39   0.06250  1.0 1.0
   43    48   -53    39  -0.01100 -1.0 2.0
   43    48   -53    39   0.28050  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    52   0.15000  1.0 3.0
   44    43    48    53   0.23400  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   48    43    50    51  -0.11600  1.0 1.0
   48    43    50    51  -0.09450 -1.0 2.0
   48    43    50    51   0.21250  1.0 3.0
   48    52    54    55   3.62500 -1.0 2.0
   48    52    54    56   3.62500 -1.0 2.0
   48    52    58    57   0.81400  1.0 1.0
   48    52    58    57   1.55550 -1.0 2.0
   48    52    58    59   3.62500 -1.0 2.0
   49    48    52    54   0.00000  1.0 1.0
   49    48    52    58   0.00000  1.0 1.0
   49    48    53    39   0.37050  1.0 3.0
   52    48    53    39  -2.37750  1.0 1.0
   52    48    53    39  -0.08150 -1.0 2.0
   52    48    53    39   0.59000  1.0 3.0
   52    54   -56    57   3.62500 -1.0 2.0
   52    58    59    60   3.62500 -1.0 2.0
   54    52   -58    57   0.70250  1.0 1.0
   54    52   -58    57   1.56150 -1.0 2.0
   54    52    58    59   3.62500 -1.0 2.0
   54    56   -57    58   3.62500 -1.0 2.0
   54    56    57    63   3.62500 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   56    57   -58    52   3.62500 -1.0 2.0
   56    57    58    59   3.62500 -1.0 2.0
   56    57    63    62   3.62500 -1.0 2.0
   56    57    63    64   3.62500 -1.0 2.0
   57    58    59    60   3.62500 -1.0 2.0
   57    63    64    65   0.70000 -1.0 2.0
   57    63    64    66   0.70000 -1.0 2.0
   58    52    54    55   3.62500 -1.0 2.0
   58    52   -54    56   3.62500 -1.0 2.0
   58    57    63    62   3.62500 -1.0 2.0
   58    57    63    64   3.62500 -1.0 2.0
   58    59    60    61   3.62500 -1.0 2.0
   58    59   -60    62   3.62500 -1.0 2.0
   59    60    62    63   3.62500 -1.0 2.0
   60    62   -63    57   3.62500 -1.0 2.0
   60    62    63    64   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   62    63    64    65   0.70000 -1.0 2.0
   62    63    64    66   0.70000 -1.0 2.0
   63    57    58    52   3.00000 -1.0 2.0
   63    57   -58    59   3.62500 -1.0 2.0
   53    39    41    42   0.23400  1.0 3.0
   53    39   -41    43   0.62750  1.0 1.0
   53    39   -41    43  -0.30950 -1.0 2.0
   53    39   -41    43   0.27300  1.0 3.0
   53    39    41    45   3.18800  1.0 1.0
   53    39    41    45  -1.12350 -1.0 2.0
   53    48    52    54   0.10350  1.0 1.0
   53    48    52    54  -0.15350 -1.0 2.0
   53    48    52    58   0.10350  1.0 1.0
   53    48    52    58  -0.15350 -1.0 2.0
   50    43    48    49   0.23400  1.0 3.0
   50    43    48    52   2.76900  1.0 1.0
   50    43    48    52  -0.24350 -1.0 2.0
   50    43    48    52  -0.78250  1.0 3.0
   50    43    48    53   3.69350  1.0 1.0
   50    43    48    53  -1.82950 -1.0 2.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    48   1.85550  1.0 1.0
   45    41    43    48  -0.84100 -1.0 2.0
   45    41    43    50   5.28650  1.0 1.0
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
   54    58    52    48   4.00000 -1.0 2.0
   56    55    54    52   1.10000 -1.0 2.0
   58    63    57    56   4.00000 -1.0 2.0
   57    59    58    52   4.00000 -1.0 2.0
   62    61    60    59   1.10000 -1.0 2.0
   62    64    63    57   4.00000 -1.0 2.0
   66    63    64    65   1.00000 -1.0 2.0
END
