* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    132    204     380
    1     0 S   NP   _N1_     1    29.77571    94.66116   -26.23222
    2     1 S   H    _HN1     2     1.02967    81.53945     8.94881
    3     1 S   H    _H1_     3     1.02811    26.46036  -155.93717
    4     1 S   H    _H2_     4     1.02774   124.11385   -97.48942
    5     1 S   CT   _CA1     5     1.50179   115.00813   117.43334
    6     5 S   HC   _HA1     6     1.09585   105.15363    87.61316
    7     5 S   CO3  _C1_     7     1.53790   112.48131   -32.31533
    8     7 S   O2Z  _O11     8     1.26360   115.03703   -40.27069
    9     7 S   O2Z  _O12     9     1.26263   114.94117   138.65850
   10     5 S   CT   _CB1    10     1.53050   107.27167  -154.66947
   11    10 S   HC   HB11    11     1.09822   109.06877   -51.38651
   12    10 S   HC   HB12    12     1.09825   110.45979    65.04824
   13    10 S   CT   _CG1    13     1.52976   112.85078  -172.62831
   14    13 S   HC   HG11    14     1.09596   110.31593   -66.61126
   15    13 S   HC   HG12    15     1.09654   110.11012    52.64972
   16    13 S   C    _CD1    16     1.51784   112.24932   172.64614
   17    16 S   O    _OE1    17     1.22721   123.31186    -7.34249
   18    16 S   N    _N2_    18     1.38675   111.75752   173.84260
   19    18 S   H    _HN2    19     1.01565   119.02930     2.33666
   20    18 S   CT1  _CA2    20     1.46029   123.19823   179.39155
   21    20 S   HC   _HA2    21     1.09534   109.21446     5.15625
   22    20 S   C    _C2_    22     1.53575   109.34760  -110.01666
   23    22 S   O    _O2_    23     1.23100   122.11364  -149.93115
   24    20 S   CT   _CB2    32     1.53324   111.65676   127.45996
   25    24 S   HC   HB21    33     1.09691   109.32486    63.79681
   26    24 S   HC   HB22    34     1.09531   110.98173  -179.67254
   27    22 S   N    _N3_    24     1.38282   113.94977    37.60582
   28    27 S   H    _HN3    25     1.01581   119.62083    -3.43570
   29    24 S   S    _SG2    35     1.83211   115.35895   -55.52179
   30    27 S   CT   _CA3    26     1.45288   123.09908   176.92776
   31    30 S   HC   HA31    27     1.09555   107.51940   -63.64157
   32    30 S   HC   HA32    28     1.09559   107.94630    52.75495
   33    29 S   CT   _C12    36     1.84173   101.55233   -61.28525
   34    33 S   HC   _H3_    37     1.09350   107.31242    59.19019
   35    30 S   CO3  _C3_    29     1.52930   114.17807   174.72326
   36    35 S   O2Z  _O31    30     1.26359   116.08913    -1.49659
   37    35 S   O2Z  _O32    31     1.26434   114.39558   178.56387
   38    33 S   CM   _C11    38     1.50739   109.95049   -61.50895
   39    38 S   HC   _H8_    39     1.08806   116.87197   -57.09838
   40    33 S   CM   _C13    56     1.51426   107.73329   178.00208
   41    40 S   HC   _H9_    57     1.08821   114.74253    58.80335
   42    38 S   CM   _C10    40     1.34328   122.99068   123.79098
   43    42 S   HC   _H7_    41     1.08787   119.35614     1.16936
   44    40 S   CMA  _C14    58     1.35799   125.92251  -121.28725
   45    44 S   OM   _O33    59     1.26309   127.77418     0.09279
   46    42 S   CA   _C9_    42     1.47109   124.82419  -179.96044
   47    44 S   NE   _N4_    60     1.41537   120.43353  -179.63096
   48    46 S   CA   _C4_    43     1.41438   118.32889  -150.32574
   49    48 S   HA   _H4_    44     1.08866   120.19037     1.75947
   50    47 S   CT   _C15    61     1.47101   124.63398     7.72753
   51    50 S   HC   _H10    62     1.09521   112.28142    48.42247
   52    50 S   HC   _H11    63     1.09610   109.72054   -73.35023
   53    48 S   CA   _C5_    45     1.39891   121.26908  -178.63312
   54    53 S   HA   _H5_    46     1.08404   120.85657  -179.60933
   55    50 S   CT   _C16    64     1.52404   104.89888   167.98643
   56    55 S   HC   _H12    65     1.09674   110.15400   -85.14718
   57    55 S   HC   _H13    66     1.09346   112.51420   153.92085
   58    53 S   CA   _C6_    47     1.37739   117.70210     0.55107
   59    55 S   CT   _C17    67     1.51423   102.73553    32.07074
   60    59 S   HC   _H14    68     1.09672   110.06265    77.77965
   61    59 S   HC   _H15    69     1.09345   113.02097  -160.97047
   62    58 S   CA   _C7_    48     1.37431   121.62171     0.17246
   63    47 S   CT   _C18    70     1.47611   126.00387  -172.25570
   64    63 S   HC   _H16    71     1.09559   112.56035    47.70204
   65    63 S   HC   _H17    72     1.09646   109.78647   -74.34662
   66    46 S   CA   _C8_    49     1.40444   122.37269    32.38138
   67    66 S   HA   _H6_    50     1.08503   121.92244    -0.91984
   68    62 S   OS   _O34    51     1.36128   112.31859   179.53606
   69    68 S   CO   _C19    52     1.44226   100.97500     0.18767
   70    69 S   HC   _H18    53     1.09608   108.66918  -121.08321
   71    69 S   HC   _H19    54     1.09609   108.67527   120.75816
   72    58 S   OS   _O35    55     1.36039   125.96593   179.81869
  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   8   5   4   3
  11   6   2   1   1   9   4   7   3   8   3  10   3   9  12   8
   4  11   6   5   7   3   8   5   4   8   5   4   3   7   2   1
   1   4   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    47  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    48    66    40    41    44  
   42    43    46    40  
   41    44    45    47    50    63    42  
   44    45    47  
   43    46    48    49    53    62    66    67  
   46    48    66  
   45    47    50    51    52    55    59    63    64    65  
   47    50    63  
   48    49    53    54    58    62    66    67    68  
   50    51    52    55    56    57    59    60    61    63    64    65  
   49    53    54    58    62    66    67    72  
   53    54    58    66  
   51    52    55    56    57    59    60    61    63    64    65  
   52    55    56    57    59    63  
   55    56    57    59    63  
   54    58    62    66    68    69    72  
   58    62    72  
   56    57    59    60    61    63    64    65  
   57    59    60    61    63  
   59    60    61    63  
   62    66    67    68    69    70    71    72  
   60    61    63    64    65  
   61    63    64    65  
   63    64    65  
   66    67    68    69    70    71    72  
   64    65  
   65  
    0  
   67    68    69    72  
   68  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.2500   0.1700  -0.993100   1.9050   1.6860   0.051222218  -2.220205820
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.120000   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.460
   46    48   469.000  1.400
   46    66   469.000  1.400
   48    49   367.000  1.080
   48    53   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    62   469.000  1.400
   58    72   450.000  1.364
   62    66   469.000  1.400
   62    68   450.000  1.364
   66    67   367.000  1.080
   68    69   320.000  1.380
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   320.000  1.380
   40    41   340.000  1.080
   40    44   465.000  1.376
   44    45   745.000  1.250
   44    47   415.000  1.382
   47    50   382.000  1.448
   47    63   382.000  1.448
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   268.000  1.529
   63    64   340.000  1.090
   63    65   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    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  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    60.00000  123.20500
   42    38    39    35.00000  120.00000
   42    46    48    60.00000  120.93500
   42    46    66    60.00000  120.93500
   46    42    43    40.00000  117.26300
   46    48    49    35.00000  120.00000
   46    48    53    63.00000  120.00000
   46    66    62    63.00000  120.00000
   46    66    67    35.00000  120.00000
   48    53    54    35.00000  120.00000
   48    53    58    63.00000  120.00000
   53    48    49    35.00000  120.00000
   53    58    62    63.00000  120.00000
   53    58    72    70.00000  120.00000
   58    53    54    35.00000  120.00000
   58    62    66    63.00000  120.00000
   58    62    68    70.00000  120.00000
   58    72    69   100.00000  112.36700
   62    66    67    35.00000  120.00000
   62    68    69   100.00000  112.36700
   66    46    48    63.00000  120.00000
   68    62    66    70.00000  120.00000
   68    69    70    35.00000  109.50000
   68    69    71    35.00000  109.50000
   68    69    72    92.60000  111.55000
   71    69    70    33.00000  109.50000
   72    58    62    70.00000  120.00000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    65.00000  137.10300
   40    44    47    75.00000  114.40000
   44    40    41    40.00000  120.50800
   44    47    50    50.00000  121.00000
   44    47    63    50.00000  121.00000
   47    44    45   105.00000  113.92000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    55    80.00000  111.61500
   47    63    59    80.00000  111.61500
   47    63    64    35.00000  109.50000
   47    63    65    35.00000  109.50000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    59    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    63    58.35000  112.70000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   61    59    60    33.00000  107.80000
   63    47    50    50.00000  115.00000
   63    59    60    37.50000  110.70000
   63    59    61    37.50000  110.70000
   65    63    64    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    47   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.00000  1.0 1.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    42    46    48   0.15800  1.0 1.0
   38    42    46    48   1.85350 -1.0 2.0
   38    42    46    48  -0.48700  1.0 3.0
   38    42    46    66   0.15800  1.0 1.0
   38    42    46    66   1.85350 -1.0 2.0
   38    42    46    66  -0.48700  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    48    49   3.62500 -1.0 2.0
   42    46    48    53   3.62500 -1.0 2.0
   42    46    66    62   3.62500 -1.0 2.0
   42    46    66    67   3.62500 -1.0 2.0
   43    42    46    48   0.56550  1.0 3.0
   43    42    46    66   0.56550  1.0 3.0
   46    48    53    54   3.62500 -1.0 2.0
   46    48    53    58   3.62500 -1.0 2.0
   48    46    66    62   3.62500 -1.0 2.0
   48    46    66    67   3.62500 -1.0 2.0
   48    53   -58    62   3.62500 -1.0 2.0
   48    53    58    72   3.62500 -1.0 2.0
   49    48    53    54   3.62500 -1.0 2.0
   49    48    53    58   3.62500 -1.0 2.0
   53    58    62    66   3.62500 -1.0 2.0
   53    58    62    68   3.62500 -1.0 2.0
   53    58    72    69   1.63200 -1.0 2.0
   54    53    58    62   3.62500 -1.0 2.0
   54    53    58    72   3.62500 -1.0 2.0
   58    62   -66    46   3.62500 -1.0 2.0
   58    62    66    67   3.62500 -1.0 2.0
   58    62   -68    69   1.63200 -1.0 2.0
   62    58   -72    69   1.63200 -1.0 2.0
   62    68    69    70   0.08050  1.0 3.0
   62    68    69    71   0.08050  1.0 3.0
   62    68   -69    72  -0.25600  1.0 1.0
   62    68   -69    72  -0.40050 -1.0 2.0
   62    68   -69    72   0.34700  1.0 3.0
   66    46    48    49   3.62500 -1.0 2.0
   66    46   -48    53   3.62500 -1.0 2.0
   66    62    68    69   1.63200 -1.0 2.0
   68    62    66    46   3.62500 -1.0 2.0
   68    62    66    67   3.62500 -1.0 2.0
   68    69   -72    58  -0.25600  1.0 1.0
   68    69   -72    58  -0.40050 -1.0 2.0
   68    69   -72    58   0.34700  1.0 3.0
   70    69    72    58   0.08050  1.0 3.0
   71    69    72    58   0.08050  1.0 3.0
   72    58    62    66   3.62500 -1.0 2.0
   72    58   -62    68   3.62500 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    44    47    50  -0.54700  1.0 1.0
   40    44    47    50   1.23000 -1.0 2.0
   40    44    47    63  -0.54700  1.0 1.0
   40    44    47    63   1.23000 -1.0 2.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    47   7.00000 -1.0 2.0
   44    47    50    51   0.00000  1.0 1.0
   44    47    50    52   0.00000  1.0 1.0
   44    47    50    55   0.25450  1.0 1.0
   44    47    50    55  -0.61700 -1.0 2.0
   44    47    50    55  -0.23550  1.0 3.0
   44    47    63    59   0.25450  1.0 1.0
   44    47    63    59  -0.61700 -1.0 2.0
   44    47    63    59  -0.23550  1.0 3.0
   44    47    63    64   0.00000  1.0 1.0
   44    47    63    65   0.00000  1.0 1.0
   45    44    47    50   1.00000 -1.0 2.0
   45    44    47    63   1.00000 -1.0 2.0
   47    50    55    56   0.22950  1.0 3.0
   47    50    55    57   0.22950  1.0 3.0
   47    50   -55    59   1.26750  1.0 1.0
   47    50   -55    59  -0.00950 -1.0 2.0
   47    50   -55    59   0.30600  1.0 3.0
   50    47   -63    59   0.00000  1.0 1.0
   50    47    63    64   0.00000  1.0 1.0
   50    47    63    65   0.00000  1.0 1.0
   50    55    59    60   0.15000  1.0 3.0
   50    55    59    61   0.15000  1.0 3.0
   50    55   -59    63   0.56750  1.0 1.0
   50    55   -59    63  -0.07550 -1.0 2.0
   50    55   -59    63   0.20000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    59   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    59   0.15000  1.0 3.0
   55    59   -63    47   1.26750  1.0 1.0
   55    59   -63    47  -0.00950 -1.0 2.0
   55    59   -63    47   0.30600  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59    63    65   0.15000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    63   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    63   0.15000  1.0 3.0
   60    59    63    47   0.22950  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   61    59    63    47   0.22950  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    65   0.15000  1.0 3.0
   63    47    50    51   0.00000  1.0 1.0
   63    47    50    52   0.00000  1.0 1.0
   63    47   -50    55   0.00000  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   48    66    46    42   4.00000 -1.0 2.0
   53    49    48    46   1.10000 -1.0 2.0
   58    54    53    48   1.10000 -1.0 2.0
   62    72    58    53   4.00000 -1.0 2.0
   66    68    62    58   4.00000 -1.0 2.0
   62    67    66    46   1.10000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   47    45    44    40  15.00000 -1.0 2.0
   63    44    47    50   1.00000 -1.0 2.0
END
