* LIGAND DATABASE FILE (OPLS2005)
*
001      62    63    108    164     310
    1     0 S   NP   _N1_     1    28.83565    96.51419   -24.17395
    2     1 S   H    _HN1     2     1.02950    71.35182    12.41707
    3     1 S   H    _H1_     3     1.02828    37.48004   174.11733
    4     1 S   H    _H2_     4     1.02786   109.11888   -91.16905
    5     1 S   CT   _CA1     5     1.50106   135.03388   112.95825
    6     5 S   HC   _HA1     6     1.09572   105.20509    93.98095
    7     5 S   CO3  _C1_     7     1.53793   112.46995   -26.27862
    8     7 S   O2Z  _O11     8     1.26372   115.00909   -42.54062
    9     7 S   O2Z  _O12     9     1.26241   114.94883   136.63588
   10     5 S   CT   _CB1    10     1.53084   107.42659  -148.01784
   11    10 S   HC   HB11    11     1.09832   109.39593   -49.67628
   12    10 S   HC   HB12    12     1.09813   110.43738    66.93930
   13    10 S   CT   _CG1    13     1.52987   112.59315  -170.65262
   14    13 S   HC   HG11    14     1.09582   110.62507   -65.23520
   15    13 S   HC   HG12    15     1.09670   109.79316    53.99314
   16    13 S   C    _CD1    16     1.51796   112.24924   174.46728
   17    16 S   O    _OE1    17     1.22728   123.29983     6.45804
   18    16 S   N    _N2_    18     1.38657   111.65439  -173.66736
   19    18 S   H    _HN2    19     1.01585   118.92630     1.91622
   20    18 S   CT1  _CA2    20     1.46198   123.40353   177.67586
   21    20 S   HC   _HA2    21     1.09736   109.35348     2.61247
   22    20 S   C    _C2_    22     1.53554   108.64630  -112.87514
   23    22 S   O    _O2_    23     1.23057   122.27046  -148.17912
   24    20 S   CT   _CB2    32     1.53302   111.55042   124.60239
   25    24 S   HC   HB21    33     1.09582   110.10811    56.24178
   26    24 S   HC   HB22    34     1.09510   110.22465   175.34461
   27    22 S   N    _N3_    24     1.38325   113.71577    39.28116
   28    27 S   H    _HN3    25     1.01583   119.58965    -3.32908
   29    24 S   S    _SG2    35     1.82572   111.61681   -64.75055
   30    27 S   CT   _CA3    26     1.45288   123.22052   177.13228
   31    30 S   HC   HA31    27     1.09549   107.51219   -64.58179
   32    30 S   HC   HA32    28     1.09556   107.98584    51.85996
   33    29 S   CT   _C15    36     1.82881    98.79316   178.12863
   34    33 S   F    F1__    37     1.36539   108.50231   -56.87218
   35    33 S   F    F2__    38     1.36534   108.49075    56.67157
   36    30 S   CO3  _C3_    29     1.52962   114.07039   173.85599
   37    36 S   O2Z  _O31    30     1.26377   116.06272    -0.63118
   38    36 S   O2Z  _O32    31     1.26427   114.41595   179.42870
   39    33 S   CA   _C12    39     1.50868   110.52828   179.91607
   40    39 S   CA   _C11    40     1.40019   120.68425    89.17927
   41    40 S   HA   _H9_    41     1.08805   120.21144     0.41590
   42    40 S   CA   _C10    42     1.40023   120.93200  -179.48566
   43    42 S   HA   _H8_    43     1.08383   117.13843  -180.00000
   44    42 S   CA   _C9_    44     1.39672   120.44443     0.10087
   45    44 S   CA   _C14    45     1.40200   118.62775     0.05595
   46    45 S   HA   _H11    46     1.08797   120.65385   179.88636
   47    44 S   N    _N5_    49     1.41709   124.56368   180.00000
   48    47 S   H    _H7_    50     1.01492   114.36636  -179.90721
   49    39 S   CA   _C13    47     1.39874   120.72234   -90.02659
   50    49 S   HA   _H10    48     1.08757   120.41028    -0.44102
   51    47 S   C    _C8_    51     1.39058   127.49003     0.12354
   52    51 S   O    _O34    52     1.22654   125.75400     0.06256
   53    51 S   C5BD _C6_    53     1.45960   113.85943  -179.96044
   54    53 S   C5BB _C7_    54     1.41631   131.51315     0.06853
   55    54 S   HA   _H6_    55     1.08015   129.27599     0.01978
   56    54 S   N5A  _N4_    56     1.33445   112.86517   179.97202
   57    56 S   OA   _O33    57     1.38303   105.08185    -0.00000
   58    53 S   C5A  _C5_    58     1.38259   125.80492  -179.94405
   59    58 S   CT   _C4_    59     1.47697   134.26859     0.00000
   60    59 S   HC   _H3_    60     1.09429   110.50172    60.02456
   61    59 S   HC   _H4_    61     1.09463   111.38210   179.96044
   62    59 S   HC   _H5_    62     1.09429   110.49988   -60.10743
  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   6   5   4   3
   9   4   3   2   1   1   9   8   4   8   3   9   6   3   7   3
   1   1   8   3   9   5   3   3   5   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    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    49    50  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50  
   41    42    43    44    45    49    50    47  
   42    43    44    49  
   43    44    45    46    49    47    48    51  
   44    45    47  
   45    46    49    50    47    48    51    52    53  
   46    49    50    47    48    51  
   49    50    47  
   48    51    52    53    54    58    49  
   51    52    53  
   50  
    0  
   52    53    54    55    56    57    58    59  
   53    54    58  
   54    55    56    57    58    59    60    61    62  
   55    56    57    58    59  
   56    57    58  
   57    58    59  
   58    59    60    61    62  
   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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   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   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5500   0.0700  -0.386000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.405000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.053000   1.3810   1.2100   0.030040813   0.268726247
   56   3.2500   0.1700  -0.413000   1.8650   1.6500   0.001000000  -0.511443539
   57   2.9000   0.1400  -0.122000   1.6450   1.4500   0.001000000  -0.126889456
   58   3.5500   0.0700   0.233000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    49   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    47   360.000  1.404
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   47    48   434.000  1.010
   47    51   490.000  1.335
   51    52   570.000  1.229
   51    53   400.000  1.490
   53    54   469.000  1.421
   53    58   546.000  1.367
   54    55   367.000  1.080
   54    56   410.000  1.320
   56    57   462.000  1.399
   57    58   340.000  1.360
   58    59   295.000  1.489
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    49    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    49    45    63.00000  120.00000
   39    49    50    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    47    70.00000  119.01900
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    48    45.00000  118.23600
   44    47    51    65.00000  121.96500
   45    49    50    35.00000  120.00000
   49    39    40    63.00000  120.00000
   49    45    46    35.00000  120.00000
   47    44    45    70.00000  119.01900
   47    51    52    80.00000  122.90000
   47    51    53    75.00000  113.92100
   51    47    48    35.00000  119.80000
   51    53    54    85.00000  120.00000
   51    53    58    85.00000  120.00000
   53    51    52    80.00000  120.40000
   53    54    55    35.00000  128.60000
   53    54    56    70.00000  111.90000
   53    58    57    70.00000  110.60000
   53    58    59    50.00000  131.81400
   54    56    57    70.00000  105.30000
   56    54    55    35.00000  118.90000
   56    57    58    70.00000  108.90000
   57    58    59    80.00000  116.10000
   58    53    54    70.00000  103.80000
   58    59    60    45.00000  110.47400
   58    59    61    45.00000  110.47400
   58    59    62    45.00000  110.47400
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
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   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    49  -0.16000  1.0 1.0
   29    33    39    49  -0.03200 -1.0 2.0
   29    33    39    49   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    49    45   3.62500 -1.0 2.0
   33    39    49    50   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    49    45   3.62500 -1.0 2.0
   40    39    49    50   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    47   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    46   3.62500 -1.0 2.0
   42    44    45    49   3.62500 -1.0 2.0
   42    44    47    48   0.97800 -1.0 2.0
   42    44    47    51   1.00100  1.0 1.0
   42    44    47    51   0.85050 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    47   3.62500 -1.0 2.0
   44    45   -49    39   3.62500 -1.0 2.0
   44    45    49    50   3.62500 -1.0 2.0
   44    47    51    52   0.04000 -1.0 2.0
   44    47    51    53   0.76000  1.0 1.0
   44    47    51    53   4.11600 -1.0 2.0
   45    44    47    48   0.97800 -1.0 2.0
   45    44    47    51   1.00100  1.0 1.0
   45    44    47    51   0.85050 -1.0 2.0
   46    45    49    39   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   49    39    40    41   3.62500 -1.0 2.0
   49    39   -40    42   3.62500 -1.0 2.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    49   3.62500 -1.0 2.0
   47    51    53    54   0.75700  1.0 1.0
   47    51    53    54   0.34650 -1.0 2.0
   47    51    53    54   0.33000  1.0 3.0
   47    51    53    54  -0.28100 -1.0 4.0
   47    51    53    58   0.75700  1.0 1.0
   47    51    53    58   0.34650 -1.0 2.0
   47    51    53    58   0.33000  1.0 3.0
   47    51    53    58  -0.28100 -1.0 4.0
   48    47    51    52   2.45000 -1.0 2.0
   48    47    51    53   2.56700 -1.0 2.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53    54    56   3.62500 -1.0 2.0
   51    53    58    57   3.62500 -1.0 2.0
   51    53    58    59   3.62500 -1.0 2.0
   52    51    53    54   1.05000 -1.0 2.0
   52    51    53    58   1.05000 -1.0 2.0
   53    54   -56    57   3.62500 -1.0 2.0
   53    58    59    60   0.00000  1.0 1.0
   53    58    59    61   0.00000  1.0 1.0
   53    58    59    62   0.00000  1.0 1.0
   54    53   -58    57   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    56   -57    58   3.62500 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   56    57   -58    53   3.62500 -1.0 2.0
   56    57    58    59   3.62500 -1.0 2.0
   57    58    59    60   0.00000  1.0 1.0
   57    58    59    61   0.00000  1.0 1.0
   57    58    59    62   0.00000  1.0 1.0
   58    53    54    55   3.62500 -1.0 2.0
   58    53   -54    56   3.62500 -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
   40    49    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    47    44    42   4.00000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   45    50    49    39   1.10000 -1.0 2.0
   48    51    47    44   1.00000 -1.0 2.0
   47    53    51    52  10.50000 -1.0 2.0
   54    58    53    51   4.00000 -1.0 2.0
   56    55    54    53   1.10000 -1.0 2.0
   57    59    58    53   4.00000 -1.0 2.0
END
