* LIGAND DATABASE FILE (OPLS2005)
*
001      64    64    112    167     325
    1     0 S   NP   _N1_     1    29.06181    95.34648   -26.31479
    2     1 S   H    _HN1     2     1.02951    75.05371    12.68441
    3     1 S   H    _H1_     3     1.02828    32.07294  -164.23781
    4     1 S   H    _H2_     4     1.02788   120.63622   -90.07393
    5     1 S   CT   _CA1     5     1.50112   121.86275   117.69546
    6     5 S   HC   _HA1     6     1.09575   105.19581    92.96692
    7     5 S   CO3  _C1_     7     1.53787   112.45327   -27.27100
    8     7 S   O2Z  _O11     8     1.26374   115.00565   -42.82588
    9     7 S   O2Z  _O12     9     1.26240   114.93889   136.29524
   10     5 S   CT   _CB1    10     1.53077   107.41861  -149.05671
   11    10 S   HC   HB11    11     1.09835   109.36639   -49.74008
   12    10 S   HC   HB12    12     1.09814   110.45151    66.86292
   13    10 S   CT   _CG1    13     1.52995   112.61161  -170.71623
   14    13 S   HC   HG11    14     1.09582   110.63788   -65.74279
   15    13 S   HC   HG12    15     1.09671   109.78315    53.49310
   16    13 S   C    _CD1    16     1.51803   112.19887   173.94599
   17    16 S   O    _OE1    17     1.22734   123.27705     7.28497
   18    16 S   N    _N2_    18     1.38660   111.69577  -172.80445
   19    18 S   H    _HN2    19     1.01585   118.93217     1.74473
   20    18 S   CT1  _CA2    20     1.46206   123.38051   177.35410
   21    20 S   HC   _HA2    21     1.09736   109.34849     3.28468
   22    20 S   C    _C2_    22     1.53564   108.63049  -112.19591
   23    22 S   O    _O2_    23     1.23058   122.27521  -147.92066
   24    20 S   CT   _CB2    32     1.53292   111.60673   125.28772
   25    24 S   HC   HB21    33     1.09580   110.13944    56.42777
   26    24 S   HC   HB22    34     1.09511   110.17761   175.52832
   27    22 S   N    _N3_    24     1.38325   113.72722    39.52333
   28    27 S   H    _HN3    25     1.01579   119.60115    -3.26794
   29    24 S   S    _SG2    35     1.82535   111.62607   -64.56436
   30    27 S   CT   _CA3    26     1.45288   123.22037   177.14439
   31    30 S   HC   HA31    27     1.09548   107.50838   -64.70054
   32    30 S   HC   HA32    28     1.09556   107.99174    51.74425
   33    29 S   CT   _C14    36     1.82994    98.79852   178.99731
   34    33 S   F    F1__    37     1.36692   108.06516   -57.21629
   35    33 S   F    F2__    38     1.36411   108.79429    55.64824
   36    30 S   CO3  _C3_    29     1.52962   114.06982   173.74480
   37    36 S   O2Z  _O31    30     1.26377   116.06417    -0.60587
   38    36 S   O2Z  _O32    31     1.26427   114.41491   179.45320
   39    33 S   CA   _C12    39     1.51336   110.60444  -179.76761
   40    39 S   CA   _C13    40     1.41051   118.59215    88.09746
   41    40 S   HA   _H13    41     1.08551   117.56377    -0.11535
   42    40 S   CA   _C8_    42     1.40249   121.62923   179.96044
   43    42 S   CA   _C9_    43     1.40217   119.02241     0.02798
   44    43 S   HA   _H11    44     1.08796   120.64146  -179.96044
   45    42 S   N    _N4_    51     1.41495   124.26069   179.96574
   46    45 S   H    _H10    52     1.01683   115.27355  -179.61285
   47    43 S   CA   _C10    45     1.39320   120.75083     0.17694
   48    47 S   HA   _H12    46     1.08692   119.52427   179.73020
   49    45 S   C    _C7_    53     1.39142   127.70771     0.17804
   50    49 S   O    _O33    54     1.22738   126.87890     0.11869
   51    39 S   CA   _C11    47     1.40190   124.20901   -91.51495
   52    49 S   CT   _C5_    55     1.53180   111.53530   179.64723
   53    52 S   HC   _H6_    56     1.09747   108.07734    45.32638
   54    51 S   NO2  _N5_    48     1.44370   121.05524     0.30710
   55    54 S   ON   _O35    49     1.23736   116.83973  -106.24017
   56    54 S   ON   _O34    50     1.23692   117.04406    74.64028
   57    52 S   CT   _C4_    57     1.52726   111.19824   163.69968
   58    57 S   HC   _H3_    58     1.09568   111.51064    63.11950
   59    57 S   HC   _H4_    59     1.09545   110.77634   -56.73229
   60    57 S   HC   _H5_    60     1.09504   110.80792  -176.51552
   61    52 S   CT   _C6_    61     1.52756   110.07879   -73.62664
   62    61 S   HC   _H7_    62     1.09575   111.11295   -59.12586
   63    61 S   HC   _H8_    63     1.09502   110.88204  -179.51061
   64    61 S   HC   _H9_    64     1.09502   111.39318    60.54285
  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  11  10   4  10   8   4   8   3   5   2
  11   4   3   9   8   2   1   1   7   3   2   1   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    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    51    54  
   35    39    40    51  
   39    40    51  
   37    38  
   38  
    0  
   40    41    42    43    47    48    51    54    55    56    45  
   41    42    43    44    47    51    54    45    46    49  
   42    43    51    45  
   43    44    47    48    51    45    46    49    50    52  
   44    47    48    51    54    45    46    49  
   47    48    51    45  
   46    49    50    52    53    57    61    47  
   49    50    52  
   48    51    54    55    56  
   51    54  
   50    52    53    57    58    59    60    61    62    63    64  
   52    53    57    61  
   54    55    56  
   53    57    58    59    60    61    62    63    64  
   57    58    59    60    61    62    63    64  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61  
   62    63    64  
   63    64  
   64  
    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   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   51   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   55   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   56   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   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    51   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   469.000  1.400
   42    45   360.000  1.404
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    54   400.000  1.460
   54    55   550.000  1.225
   54    56   550.000  1.225
   45    46   434.000  1.010
   45    49   490.000  1.335
   49    50   570.000  1.229
   49    52   317.000  1.522
   52    53   340.000  1.090
   52    57   268.000  1.529
   52    61   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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    51    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    51    47    63.00000  120.00000
   39    51    54    85.00000  120.00000
   40    42    43    63.00000  120.00000
   40    42    45    70.00000  119.01900
   42    40    41    35.00000  120.00000
   42    43    44    35.00000  120.00000
   42    43    47    63.00000  120.00000
   42    45    46    45.00000  118.23600
   42    45    49    65.00000  121.96500
   43    47    48    35.00000  120.00000
   43    47    51    63.00000  120.00000
   47    43    44    35.00000  120.00000
   47    51    54    85.00000  120.00000
   51    39    40    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    54    55    80.00000  117.50000
   51    54    56    80.00000  117.50000
   56    54    55    80.00000  125.30000
   45    42    43    70.00000  119.01900
   45    49    50    80.00000  122.90000
   45    49    52    70.00000  116.60000
   49    45    46    35.00000  119.80000
   49    52    53    35.00000  109.50000
   49    52    57    63.00000  111.10000
   49    52    61    63.00000  111.10000
   52    49    50    80.00000  120.40000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    60    37.50000  110.70000
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    64    37.50000  110.70000
   57    52    53    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    52    53    37.50000  110.70000
   61    52    57    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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    51  -0.16000  1.0 1.0
   29    33    39    51  -0.03200 -1.0 2.0
   29    33    39    51   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    51    47   3.62500 -1.0 2.0
   33    39    51    54   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    51   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    51   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    45   3.62500 -1.0 2.0
   39    51    54    55   0.69950 -1.0 2.0
   39    51    54    56   0.69950 -1.0 2.0
   40    39    51    47   3.62500 -1.0 2.0
   40    39    51    54   3.62500 -1.0 2.0
   40    42    43    44   3.62500 -1.0 2.0
   40    42   -43    47   3.62500 -1.0 2.0
   40    42    45    46   0.97800 -1.0 2.0
   40    42    45    49   1.00100  1.0 1.0
   40    42    45    49   0.85050 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    45   3.62500 -1.0 2.0
   42    43    47    48   3.62500 -1.0 2.0
   42    43    47    51   3.62500 -1.0 2.0
   42    45    49    50   0.04000 -1.0 2.0
   42    45    49    52   0.76000  1.0 1.0
   42    45    49    52   4.11600 -1.0 2.0
   43    42    45    46   0.97800 -1.0 2.0
   43    42    45    49   1.00100  1.0 1.0
   43    42    45    49   0.85050 -1.0 2.0
   43    47   -51    39   3.62500 -1.0 2.0
   43    47    51    54   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   44    43    47    51   3.62500 -1.0 2.0
   47    51    54    55   0.69950 -1.0 2.0
   47    51    54    56   0.69950 -1.0 2.0
   48    47    51    39   3.62500 -1.0 2.0
   48    47    51    54   3.62500 -1.0 2.0
   51    39    40    41   3.62500 -1.0 2.0
   51    39   -40    42   3.62500 -1.0 2.0
   45    42    43    44   3.62500 -1.0 2.0
   45    42    43    47   3.62500 -1.0 2.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    57   1.39750  1.0 1.0
   45    49    52    57  -0.07950 -1.0 2.0
   45    49    52    57  -0.18750  1.0 3.0
   45    49    52    61   1.39750  1.0 1.0
   45    49    52    61  -0.07950 -1.0 2.0
   45    49    52    61  -0.18750  1.0 3.0
   46    45    49    50   2.45000 -1.0 2.0
   46    45    49    52   2.45000 -1.0 2.0
   49    52    57    58  -0.11250  1.0 3.0
   49    52    57    59  -0.11250  1.0 3.0
   49    52    57    60  -0.11250  1.0 3.0
   49    52    61    62  -0.11250  1.0 3.0
   49    52    61    63  -0.11250  1.0 3.0
   49    52    61    64  -0.11250  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    57   0.30150 -1.0 2.0
   50    49    52    61   0.30150 -1.0 2.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    60   0.15000  1.0 3.0
   53    52    61    62   0.15000  1.0 3.0
   53    52    61    63   0.15000  1.0 3.0
   53    52    61    64   0.15000  1.0 3.0
   57    52    61    62   0.15000  1.0 3.0
   57    52    61    63   0.15000  1.0 3.0
   57    52    61    64   0.15000  1.0 3.0
   61    52    57    58   0.15000  1.0 3.0
   61    52    57    59   0.15000  1.0 3.0
   61    52    57    60   0.15000  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
   40    51    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   43    45    42    40   4.00000 -1.0 2.0
   47    44    43    42   1.10000 -1.0 2.0
   51    48    47    43   1.10000 -1.0 2.0
   47    54    51    39   4.00000 -1.0 2.0
   55    51    54    56  10.50000 -1.0 2.0
   46    49    45    42   1.00000 -1.0 2.0
   45    52    49    50  10.50000 -1.0 2.0
END
