* LIGAND DATABASE FILE (OPLS2005)
*
001      66    68    116    188     342
    1     0 S   NP   _N1_     1    28.81202    94.15831   -19.78204
    2     1 S   H    _HN1     2     1.02959    95.11721    32.67114
    3     1 S   H    _H1_     3     1.02836    33.63992   146.03718
    4     1 S   H    _H2_     4     1.02780    82.69052   -75.19699
    5     1 S   CT   _CA1     5     1.50117   143.02458   167.12876
    6     5 S   HC   _HA1     6     1.09575   105.22521    46.83550
    7     5 S   CO3  _C1_     7     1.53776   112.40727   -73.37735
    8     7 S   O2Z  _O11     8     1.26360   114.99947   -43.50417
    9     7 S   O2Z  _O12     9     1.26239   114.91927   135.66513
   10     5 S   CT   _CB1    10     1.53087   107.42884   164.75245
   11    10 S   HC   HB11    11     1.09828   109.31092   -50.72601
   12    10 S   HC   HB12    12     1.09819   110.42743    65.81607
   13    10 S   CT   _CG1    13     1.53017   112.68939  -171.81655
   14    13 S   HC   HG11    14     1.09591   110.48795   -64.50553
   15    13 S   HC   HG12    15     1.09655   109.95256    54.74567
   16    13 S   C    _CD1    16     1.51793   112.27245   175.08789
   17    16 S   O    _OE1    17     1.22737   123.25238    -0.09487
   18    16 S   N    _N2_    18     1.38682   111.68463  -179.93147
   19    18 S   H    _HN2    19     1.01584   119.11765     1.30911
   20    18 S   CT1  _CA2    20     1.46063   123.11571   179.25323
   21    20 S   HC   _HA2    21     1.09509   109.00407    -4.97051
   22    20 S   C    _C2_    22     1.53418   108.14593  -120.10922
   23    22 S   O    _O2_    23     1.23007   122.27057  -141.62010
   24    20 S   CT   _CB2    32     1.53421   111.96094   117.02502
   25    24 S   HC   HB21    33     1.09599   110.19708    59.62366
   26    24 S   HC   HB22    34     1.09496   110.64047   177.73817
   27    22 S   N    _N3_    24     1.38600   113.40229    45.27038
   28    27 S   H    _HN3    25     1.01511   118.98487     0.37378
   29    24 S   S    _SG2    35     1.82489   113.43063   -60.75814
   30    27 S   CT   _CA3    26     1.45488   123.40856   177.56900
   31    30 S   HC   HA31    27     1.09533   109.12409    25.72693
   32    30 S   HC   HA32    28     1.09504   107.11264   142.47708
   33    29 S   OS   _O20    36     1.66497    98.83284   -60.43566
   34    30 S   CO3  _C3_    29     1.52786   113.24737   -97.81533
   35    34 S   O2Z  _O31    30     1.26447   115.45664   -51.96186
   36    34 S   O2Z  _O32    31     1.26325   115.14749   128.51923
   37    33 S   CT   _C18    37     1.43475   116.12597  -109.47149
   38    37 S   HC   _H30    38     1.09955   110.26644    19.12448
   39    37 S   CA   _C12    39     1.51869   109.59764  -100.51902
   40    37 S   CT   _C17    51     1.53905   109.11977   138.08733
   41    40 S   HC   _H29    52     1.09662   112.56845   165.43494
   42    39 S   CA   _C5_    40     1.40440   121.54078   -40.65222
   43    42 S   HA   _H23    41     1.08764   120.43749     0.66411
   44    40 S   CO4  _C16    53     1.51117   111.08246   -72.99822
   45    44 S   O    _O16    54     1.21556   127.69346   -61.65300
   46    40 S   OS   _O17    64     1.45303   111.20692    44.08192
   47    42 S   CA   _C8_    42     1.39601   120.70648  -179.36727
   48    47 S   HA   _H26    43     1.08599   119.45992  -179.83687
   49    44 S   CA   _C11    55     1.43633   107.12927   117.21489
   50    47 S   CA   _C14    44     1.39204   119.51954     0.22728
   51    49 S   CA   _C4_    56     1.37944   130.75970  -175.89191
   52    51 S   HA   _H22    57     1.08367   121.97563    -2.54906
   53    50 S   CA   _C9_    45     1.39112   120.73336     0.08156
   54    53 S   HA   _H27    46     1.08625   120.49626   179.85598
   55    50 S   OH   _O18    49     1.36617   121.06655   179.98022
   56    55 S   HO   _H31    50     0.97241   108.54445     0.34492
   57    51 S   CA   _C7_    58     1.39399   116.86392   175.89234
   58    57 S   HA   _H25    59     1.08652   119.36469  -179.33530
   59    39 S   CA   _C6_    47     1.40370   119.68813   140.49683
   60    59 S   HA   _H24    48     1.08745   120.41805    -0.63396
   61    57 S   CA   _C15    60     1.40649   120.14664    -0.12354
   62    61 S   CA   _C10    61     1.39654   121.66742     1.50740
   63    62 S   HA   _H28    62     1.08414   121.24748  -179.78602
   64    61 S   OH   _O19    65     1.36810   120.34894  -177.37744
   65    64 S   HO   _H32    66     0.97640   108.05146    19.07896
   66    49 S   CA   _C13    63     1.38021   105.79311     1.32530
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   9   2   1   1  15   7  13  10   5   8   4   8   4   6   7   3
   8   6   7   4   5   3   2   1   7   3   1   1   5   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    59    40    41    44    46  
   35    36  
   36  
    0  
   38    39    42    43    47    53    59    60    40    41    44    45    49    66    46  
   39    42    59    40    41    44    46  
   42    43    47    48    50    53    54    59    60    40    41    44    46  
   41    44    45    49    51    62    66    46    42    59  
   44    45    49    66    46  
   43    47    48    50    53    59    60    55  
   47    48    50    59  
   45    49    51    52    57    62    66    46  
   49    51    66    46  
   49    51    61    62    63    66  
   48    50    53    54    59    55    56  
   50    53    55  
   51    52    57    58    61    62    63    66  
   53    54    59    60    55    56  
   52    57    58    61    62    66    64  
   57    58    61    66  
   54    59    60    55    56  
   59    60    55  
   56    59  
    0  
   58    61    62    63    66    64    65  
   61    62    64  
   60  
    0  
   62    63    66    64    65  
   63    66    64    65  
   66    64  
   65    66  
    0  
    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   0.047500   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   2.9000   0.1400  -0.415000   1.7660   1.5600   0.020110767  -0.896042159
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.255000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   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   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   655.000  1.490
   33    37   320.000  1.410
   37    38   340.000  1.090
   37    39   317.000  1.510
   37    40   268.000  1.529
   39    42   469.000  1.400
   39    59   469.000  1.400
   42    43   367.000  1.080
   42    47   469.000  1.400
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    53   469.000  1.400
   50    55   450.000  1.364
   53    54   367.000  1.080
   53    59   469.000  1.400
   59    60   367.000  1.080
   55    56   553.000  0.945
   40    41   340.000  1.090
   40    44   317.000  1.522
   40    46   320.000  1.410
   44    45   570.000  1.229
   44    49   310.000  1.470
   49    51   469.000  1.400
   49    66   469.000  1.400
   51    52   367.000  1.080
   51    57   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    46   450.000  1.364
   64    65   553.000  0.945
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    35.00000  109.50000
   33    37    39    85.00000  111.85700
   33    37    40    50.00000  109.50000
   37    39    42    70.00000  120.00000
   37    39    59    70.00000  120.00000
   37    40    41    37.50000  110.70000
   37    40    44    63.00000  111.10000
   37    40    46    50.00000  109.50000
   39    37    38    35.00000  109.50000
   39    42    43    35.00000  120.00000
   39    42    47    63.00000  120.00000
   39    59    53    63.00000  120.00000
   39    59    60    35.00000  120.00000
   42    47    48    35.00000  120.00000
   42    47    50    63.00000  120.00000
   47    42    43    35.00000  120.00000
   47    50    53    63.00000  120.00000
   47    50    55    70.00000  120.00000
   50    47    48    35.00000  120.00000
   50    53    54    35.00000  120.00000
   50    53    59    63.00000  120.00000
   50    55    56    35.00000  113.00000
   53    59    60    35.00000  120.00000
   59    39    42    63.00000  120.00000
   59    53    54    35.00000  120.00000
   55    50    53    70.00000  120.00000
   40    37    38    37.50000  110.70000
   40    37    39    70.00000  112.17500
   40    44    45    80.00000  120.40000
   40    44    49    65.00000  115.47100
   40    46    66    75.00000  111.00000
   44    40    41    35.00000  109.50000
   44    49    51    60.00000  119.52600
   44    49    66    60.00000  119.52600
   49    44    45    75.00000  123.78400
   49    51    52    35.00000  120.00000
   49    51    57    63.00000  120.00000
   49    66    62    63.00000  120.00000
   49    66    46    70.00000  120.00000
   51    57    58    35.00000  120.00000
   51    57    61    63.00000  120.00000
   57    51    52    35.00000  120.00000
   57    61    62    63.00000  120.00000
   57    61    64    70.00000  120.00000
   61    57    58    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    66    63.00000  120.00000
   61    64    65    35.00000  113.00000
   62    66    46    70.00000  120.00000
   66    49    51    63.00000  120.00000
   66    62    63    35.00000  120.00000
   46    40    41    35.00000  109.50000
   46    40    44    90.00000  108.74100
   64    61    62    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    39   0.37500  1.0 3.0
   29    33    37    40   0.37500  1.0 3.0
   33    37    39    42   0.64500  1.0 1.0
   33    37    39    42   0.14800 -1.0 2.0
   33    37    39    42   0.20650  1.0 3.0
   33    37    39    59   0.64500  1.0 1.0
   33    37    39    59   0.14800 -1.0 2.0
   33    37    39    59   0.20650  1.0 3.0
   33    37    40    41   0.23400  1.0 3.0
   33    37    40    44  -0.09450  1.0 1.0
   33    37    40    44  -1.12950 -1.0 2.0
   33    37    40    44   0.54000  1.0 3.0
   33    37    40    46   1.11900  1.0 1.0
   33    37    40    46  -1.16350 -1.0 2.0
   33    37    40    46  -0.34150  1.0 3.0
   37    39    42    43   3.62500 -1.0 2.0
   37    39    42    47   3.62500 -1.0 2.0
   37    39    59    53   3.62500 -1.0 2.0
   37    39    59    60   3.62500 -1.0 2.0
   37    40    44    45   0.30150 -1.0 2.0
   37    40    44    49   0.05850 -1.0 2.0
   37    40    44    49   0.17250  1.0 3.0
   37    40    46    66  -0.32850  1.0 1.0
   37    40    46    66  -0.35800 -1.0 2.0
   37    40    46    66   0.33950  1.0 3.0
   38    37    39    42   0.00000  1.0 1.0
   38    37    39    59   0.00000  1.0 1.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    44  -0.11250  1.0 3.0
   38    37    40    46   0.23400  1.0 3.0
   39    37    40    41   0.43200  1.0 3.0
   39    37    40    44   0.56750  1.0 1.0
   39    37    40    44  -0.07550 -1.0 2.0
   39    37    40    44   0.20000  1.0 3.0
   39    37    40    46  -0.64350  1.0 1.0
   39    37    40    46  -0.04200 -1.0 2.0
   39    37    40    46   0.19800  1.0 3.0
   39    42    47    48   3.62500 -1.0 2.0
   39    42    47    50   3.62500 -1.0 2.0
   42    39    59    53   3.62500 -1.0 2.0
   42    39    59    60   3.62500 -1.0 2.0
   42    47   -50    53   3.62500 -1.0 2.0
   42    47    50    55   3.62500 -1.0 2.0
   43    42    47    48   3.62500 -1.0 2.0
   43    42    47    50   3.62500 -1.0 2.0
   47    50    53    54   3.62500 -1.0 2.0
   47    50    53    59   3.62500 -1.0 2.0
   47    50    55    56   0.84100 -1.0 2.0
   48    47    50    53   3.62500 -1.0 2.0
   48    47    50    55   3.62500 -1.0 2.0
   50    53   -59    39   3.62500 -1.0 2.0
   50    53    59    60   3.62500 -1.0 2.0
   53    50    55    56   0.84100 -1.0 2.0
   54    53    59    39   3.62500 -1.0 2.0
   54    53    59    60   3.62500 -1.0 2.0
   59    39    42    43   3.62500 -1.0 2.0
   59    39   -42    47   3.62500 -1.0 2.0
   55    50    53    54   3.62500 -1.0 2.0
   55    50    53    59   3.62500 -1.0 2.0
   40    37    39    42   0.04150 -1.0 2.0
   40    37    39    59   0.04150 -1.0 2.0
   40    44    49    51   2.26350  1.0 1.0
   40    44    49    51   0.76750 -1.0 2.0
   40    44    49    51   0.22500  1.0 3.0
   40    44   -49    66   2.26350  1.0 1.0
   40    44   -49    66   0.76750 -1.0 2.0
   40    44   -49    66   0.22500  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    49   0.00000  1.0 1.0
   41    40    46    66   0.08050  1.0 3.0
   44    40   -46    66  -0.25600  1.0 1.0
   44    40   -46    66  -0.40050 -1.0 2.0
   44    40   -46    66   0.34700  1.0 3.0
   44    49    51    52   3.62500 -1.0 2.0
   44    49    51    57   3.62500 -1.0 2.0
   44    49    66    62   3.62500 -1.0 2.0
   44    49   -66    46   3.62500 -1.0 2.0
   45    44    49    51   1.05000 -1.0 2.0
   45    44    49    66   1.05000 -1.0 2.0
   49    51    57    58   3.62500 -1.0 2.0
   49    51    57    61   3.62500 -1.0 2.0
   49    66   -46    40   1.63200 -1.0 2.0
   51    49    66    62   3.62500 -1.0 2.0
   51    49    66    46   3.62500 -1.0 2.0
   51    57   -61    62   3.62500 -1.0 2.0
   51    57    61    64   3.62500 -1.0 2.0
   52    51    57    58   3.62500 -1.0 2.0
   52    51    57    61   3.62500 -1.0 2.0
   57    61    62    63   3.62500 -1.0 2.0
   57    61    62    66   3.62500 -1.0 2.0
   57    61    64    65   0.84100 -1.0 2.0
   58    57    61    62   3.62500 -1.0 2.0
   58    57    61    64   3.62500 -1.0 2.0
   61    62   -66    49   3.62500 -1.0 2.0
   61    62    66    46   3.62500 -1.0 2.0
   62    61    64    65   0.84100 -1.0 2.0
   62    66    46    40   1.63200 -1.0 2.0
   63    62    66    49   3.62500 -1.0 2.0
   63    62    66    46   3.62500 -1.0 2.0
   66    49    51    52   3.62500 -1.0 2.0
   66    49   -51    57   3.62500 -1.0 2.0
   46    40    44    45   0.30150 -1.0 2.0
   46    40   -44    49   0.65300  1.0 1.0
   46    40   -44    49  -0.03850 -1.0 2.0
   46    40   -44    49   0.33900  1.0 3.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    66   3.62500 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   42    59    39    37   4.00000 -1.0 2.0
   47    43    42    39   1.10000 -1.0 2.0
   50    48    47    42   1.10000 -1.0 2.0
   53    55    50    47   4.00000 -1.0 2.0
   59    54    53    50   1.10000 -1.0 2.0
   53    60    59    39   1.10000 -1.0 2.0
   40    49    44    45  10.50000 -1.0 2.0
   51    66    49    44   4.00000 -1.0 2.0
   57    52    51    49   1.10000 -1.0 2.0
   61    58    57    51   1.10000 -1.0 2.0
   62    64    61    57   4.00000 -1.0 2.0
   66    63    62    61   1.10000 -1.0 2.0
   62    46    66    49   4.00000 -1.0 2.0
END
