* LIGAND DATABASE FILE (OPLS2005)
*
001      65    66    113    181     335
    1     0 S   NP   _N1_     1    28.71494    95.59775   -24.97883
    2     1 S   H    _HN1     2     1.02949    72.37553    19.19707
    3     1 S   H    _H1_     3     1.02828    35.24904  -171.20797
    4     1 S   H    _H2_     4     1.02785   113.77275   -83.58934
    5     1 S   CT   _CA1     5     1.50115   129.92080   121.37402
    6     5 S   HC   _HA1     6     1.09573   105.19458    93.98109
    7     5 S   CO3  _C1_     7     1.53789   112.46196   -26.25517
    8     7 S   O2Z  _O11     8     1.26373   115.00658   -42.54633
    9     7 S   O2Z  _O12     9     1.26240   114.94669   136.58315
   10     5 S   CT   _CB1    10     1.53077   107.41706  -148.03630
   11    10 S   HC   HB11    11     1.09833   109.37481   -49.69098
   12    10 S   HC   HB12    12     1.09813   110.44699    66.91899
   13    10 S   CT   _CG1    13     1.52987   112.60295  -170.66655
   14    13 S   HC   HG11    14     1.09582   110.62948   -65.61428
   15    13 S   HC   HG12    15     1.09670   109.78714    53.61726
   16    13 S   C    _CD1    16     1.51800   112.22523   174.07315
   17    16 S   O    _OE1    17     1.22732   123.28554     6.88088
   18    16 S   N    _N2_    18     1.38651   111.66760  -173.19144
   19    18 S   H    _HN2    19     1.01576   118.93274     1.73844
   20    18 S   CT1  _CA2    20     1.46198   123.40693   177.60723
   21    20 S   HC   _HA2    21     1.09735   109.36356     3.32826
   22    20 S   C    _C2_    22     1.53564   108.61106  -112.18456
   23    22 S   O    _O2_    23     1.23060   122.29298  -147.65356
   24    20 S   CT   _CB2    32     1.53324   111.58237   125.33900
   25    24 S   HC   HB21    33     1.09586   110.06792    56.40619
   26    24 S   HC   HB22    34     1.09461   109.96321   175.48503
   27    22 S   N    _N3_    24     1.38331   113.71176    39.76959
   28    27 S   H    _HN3    25     1.01580   119.58685    -3.26735
   29    24 S   S    _SG2    35     1.82831   111.50671   -64.52626
   30    27 S   CT   _CA3    26     1.45285   123.22175   177.15566
   31    30 S   HC   HA31    27     1.09549   107.50444   -64.74658
   32    30 S   HC   HA32    28     1.09556   107.99426    51.69590
   33    29 S   CT   _C10    36     1.85243    99.65930   173.09133
   34    33 S   HC   _H3_    37     1.09737   105.06079   -49.39829
   35    30 S   CO3  _C3_    29     1.52963   114.07332   173.69506
   36    35 S   O2Z  _O31    30     1.26377   116.06773    -0.76105
   37    35 S   O2Z  _O32    31     1.26427   114.41415   179.30226
   38    33 S   CA   _C7_    38     1.51930   110.79833    69.25219
   39    33 S   CT   _C11    49     1.55324   109.58539  -165.10307
   40    39 S   HC   _H4_    50     1.09753   110.28356   -55.28796
   41    38 S   CA   _C6_    39     1.40393   119.60728  -115.77984
   42    41 S   HA   _H7_    40     1.08741   120.44393     0.53082
   43    39 S   CA   _C12    51     1.51926   113.22949  -177.99055
   44    39 S   OH   _O35    64     1.43319   109.39808    61.54231
   45    44 S   HO   _H14    65     0.97262   107.94131   170.91135
   46    41 S   CA   _C5_    41     1.39586   120.69287  -179.36449
   47    46 S   HA   _H6_    42     1.08629   119.92865  -180.00000
   48    43 S   CA   _C13    52     1.40368   120.02908   115.17936
   49    48 S   HA   _H10    53     1.08767   120.36566     0.38461
   50    46 S   CA   _C4_    43     1.39281   120.08866     0.02798
   51    50 S   HA   _H5_    44     1.08612   120.04212  -180.00000
   52    48 S   CA   _C14    54     1.39624   120.76903  -179.14866
   53    52 S   HA   _H11    55     1.08664   118.79119   179.45607
   54    50 S   CA   _C9_    45     1.39285   119.91277    -0.01978
   55    54 S   HA   _H9_    46     1.08630   119.97470  -179.97202
   56    52 S   CA   _C15    56     1.39699   119.26086    -0.08393
   57    38 S   CA   _C8_    47     1.40439   121.84738    64.92082
   58    57 S   HA   _H8_    48     1.08723   120.59851    -0.66852
   59    56 S   CA   _C16    57     1.39685   121.00311    -0.10835
   60    59 S   HA   _H12    58     1.08660   121.96608  -179.58316
   61    56 S   NO2  _N4_    61     1.45851   119.49873   179.89165
   62    61 S   ON   _O34    62     1.23865   117.69131    20.41689
   63    61 S   ON   _O33    63     1.23865   117.69158  -159.58964
   64    43 S   CA   _C17    59     1.40472   121.02261   -64.22648
   65    64 S   HA   _H13    60     1.08770   120.25267    -0.86275
  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   9   5   4   3
  15   7   2   1   1  13  12   5   8   4  11   3   1   6   3   8
   4   5   3   8   3   3   2   7   1   1   6   3   3   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    57    39    40    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    54    57    58    39    40    43    48    64    44    45  
   38    41    57    39    40    43    44  
   36    37  
   37  
    0  
   41    42    46    47    50    54    55    57    58    39    40    43    44  
   40    43    48    49    52    59    64    65    44    45    41    57  
   43    48    64    44    45  
   42    46    47    50    51    54    57    58  
   46    47    50    57  
   48    49    52    53    56    59    60    64    65    44    45  
   45    48    64  
    0  
   47    50    51    54    55    57  
   50    51    54  
   49    52    53    56    59    64    65    61  
   52    53    56    64  
   51    54    55    57    58  
   54    55    57  
   53    56    59    60    64    61    62    63  
   56    59    61  
   55    57    58  
   57    58  
   59    60    64    65    61    62    63  
   58  
    0  
   60    64    65    61    62    63  
   64    65    61  
   62    63    64  
   63  
    0  
   65  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   62   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   63   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    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    39   268.000  1.529
   38    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   39    40   340.000  1.090
   39    43   317.000  1.510
   39    44   320.000  1.410
   43    48   469.000  1.400
   43    64   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    59   469.000  1.400
   56    61   400.000  1.460
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   61    62   550.000  1.225
   61    63   550.000  1.225
   44    45   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    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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    70.00000  112.17500
   33    39    44    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    63.00000  120.00000
   38    57    54    63.00000  120.00000
   38    57    58    35.00000  120.00000
   41    46    47    35.00000  120.00000
   41    46    50    63.00000  120.00000
   46    41    42    35.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    54    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    57    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  120.00000
   57    38    41    63.00000  120.00000
   57    54    55    35.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    48    70.00000  120.00000
   39    43    64    70.00000  120.00000
   39    44    45    55.00000  108.50000
   43    39    40    35.00000  109.50000
   43    48    49    35.00000  120.00000
   43    48    52    63.00000  120.00000
   43    64    59    63.00000  120.00000
   43    64    65    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    56    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    56    59    63.00000  120.00000
   52    56    61    85.00000  120.00000
   56    52    53    35.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    64    63.00000  120.00000
   56    61    62    80.00000  117.50000
   56    61    63    80.00000  117.50000
   59    64    65    35.00000  120.00000
   64    43    48    63.00000  120.00000
   64    59    60    35.00000  120.00000
   61    56    59    85.00000  120.00000
   63    61    62    80.00000  125.30000
   44    39    40    35.00000  109.50000
   44    39    43    90.00000  112.51600
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    57    54   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    48   0.04150 -1.0 2.0
   33    39    43    64   0.04150 -1.0 2.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.43200  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43  -0.94300  1.0 1.0
   38    33    39    43   1.32550 -1.0 2.0
   38    33    39    43  -0.07100  1.0 3.0
   38    33    39    44   1.13150  1.0 1.0
   38    33    39    44  -1.01400 -1.0 2.0
   38    41    46    47   3.62500 -1.0 2.0
   38    41    46    50   3.62500 -1.0 2.0
   41    38    57    54   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    46    50    51   3.62500 -1.0 2.0
   41    46   -50    54   3.62500 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    50   3.62500 -1.0 2.0
   46    50    54    55   3.62500 -1.0 2.0
   46    50    54    57   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   50    54   -57    38   3.62500 -1.0 2.0
   50    54    57    58   3.62500 -1.0 2.0
   51    50    54    55   3.62500 -1.0 2.0
   51    50    54    57   3.62500 -1.0 2.0
   55    54    57    38   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    46   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    57   0.04150 -1.0 2.0
   39    43    48    49   3.62500 -1.0 2.0
   39    43    48    52   3.62500 -1.0 2.0
   39    43    64    59   3.62500 -1.0 2.0
   39    43    64    65   3.62500 -1.0 2.0
   40    39    43    48   0.00000  1.0 1.0
   40    39    43    64   0.00000  1.0 1.0
   40    39    44    45   0.19450  1.0 3.0
   43    39    44    45   0.31900  1.0 1.0
   43    39    44    45  -0.11800 -1.0 2.0
   43    39    44    45   0.38750  1.0 3.0
   43    48    52    53   3.62500 -1.0 2.0
   43    48    52    56   3.62500 -1.0 2.0
   48    43    64    59   3.62500 -1.0 2.0
   48    43    64    65   3.62500 -1.0 2.0
   48    52   -56    59   3.62500 -1.0 2.0
   48    52    56    61   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    56   3.62500 -1.0 2.0
   52    56    59    60   3.62500 -1.0 2.0
   52    56    59    64   3.62500 -1.0 2.0
   52    56    61    62   0.69950 -1.0 2.0
   52    56    61    63   0.69950 -1.0 2.0
   53    52    56    59   3.62500 -1.0 2.0
   53    52    56    61   3.62500 -1.0 2.0
   56    59   -64    43   3.62500 -1.0 2.0
   56    59    64    65   3.62500 -1.0 2.0
   59    56    61    62   0.69950 -1.0 2.0
   59    56    61    63   0.69950 -1.0 2.0
   60    59    64    43   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   64    43    48    49   3.62500 -1.0 2.0
   64    43   -48    52   3.62500 -1.0 2.0
   61    56    59    60   3.62500 -1.0 2.0
   61    56    59    64   3.62500 -1.0 2.0
   44    39    43    48   0.14300 -1.0 2.0
   44    39    43    48   0.00300  1.0 3.0
   44    39    43    64   0.14300 -1.0 2.0
   44    39    43    64   0.00300  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
   36    30    35    37  10.50000 -1.0 2.0
   41    57    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   50    47    46    41   1.10000 -1.0 2.0
   54    51    50    46   1.10000 -1.0 2.0
   57    55    54    50   1.10000 -1.0 2.0
   54    58    57    38   1.10000 -1.0 2.0
   48    64    43    39   4.00000 -1.0 2.0
   52    49    48    43   1.10000 -1.0 2.0
   56    53    52    48   1.10000 -1.0 2.0
   59    61    56    52   4.00000 -1.0 2.0
   64    60    59    56   1.10000 -1.0 2.0
   59    65    64    43   1.10000 -1.0 2.0
   62    56    61    63  10.50000 -1.0 2.0
END
