* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    148    243     445
    1     0 S   NP   _N1_     1    28.33010    93.85406   -21.31470
    2     1 S   H    _HN1     2     1.02777    86.92155  -127.92395
    3     1 S   H    _H1_     3     1.02956    90.58946   -19.59069
    4     1 S   H    _H2_     4     1.02840    33.03199   101.81649
    5     1 S   CT   _CA1     5     1.50113   143.66257   107.51954
    6     5 S   HC   _HA1     6     1.09557   105.28923    55.96046
    7     5 S   CO3  _C1_     7     1.53892   112.32376   -64.49584
    8     7 S   O2Z  _O11     8     1.26383   115.00808   -42.71348
    9     7 S   O2Z  _O12     9     1.26217   115.00861   136.53596
   10     5 S   CT   _CB1    10     1.53110   107.46689   174.17745
   11    10 S   HC   HB11    11     1.09825   109.78555   -47.82031
   12    10 S   HC   HB12    12     1.09774   110.16905    68.71054
   13    10 S   CT   _CG1    13     1.53018   112.56818  -168.67406
   14    13 S   HC   HG11    14     1.09555   110.68920   -57.78287
   15    13 S   HC   HG12    15     1.09639   109.84827    61.36891
   16    13 S   C    _CD1    16     1.51768   112.33517  -177.77024
   17    16 S   O    _OE1    17     1.22747   123.31374     3.03822
   18    16 S   N    _N2_    18     1.38557   111.71712  -178.08552
   19    18 S   H    _HN2    19     1.01564   119.14276     6.27957
   20    18 S   CT1  _CA2    20     1.45759   122.85638  -178.44594
   21    20 S   HC   _HA2    21     1.09574   108.62225    24.09567
   22    20 S   C    _C2_    22     1.52911   107.41497   -92.61999
   23    22 S   O    _O2_    23     1.22959   123.07705   -25.13331
   24    20 S   CT   _CB2    32     1.53291   112.28593   147.20645
   25    24 S   HC   HB21    33     1.09661   109.70459    63.67251
   26    24 S   HC   HB22    34     1.09561   111.09958  -178.91502
   27    22 S   N    _N3_    24     1.38492   112.49407   157.55045
   28    27 S   H    _HN3    25     1.01645   120.40034    -2.41443
   29    24 S   S    _SG2    35     1.82703   113.91480   -55.64141
   30    27 S   CT   _CA3    26     1.45361   122.51355   178.56142
   31    30 S   HC   HA31    27     1.09565   107.84413   -55.21077
   32    30 S   HC   HA32    28     1.09560   107.59729    61.15039
   33    29 S   CT   _C18    36     1.82391   100.01383   -71.03312
   34    33 S   HC   _H20    37     1.09600   107.58975   -66.19871
   35    33 S   HC   _H21    38     1.09322   111.15711    50.21951
   36    30 S   CO3  _C3_    29     1.52898   114.26165  -177.13078
   37    36 S   O2Z  _O31    30     1.26344   116.02870    -0.12511
   38    36 S   O2Z  _O32    31     1.26429   114.42679   179.84423
   39    33 S   CT   _C16    39     1.52732   110.80877   174.01061
   40    39 S   HC   _H7_    40     1.10029   108.79875    61.28239
   41    39 S   CO4  _C17    41     1.50716   112.19452   177.41669
   42    41 S   O    _O36    42     1.22055   126.47325   -29.05840
   43    41 S   OS   _O37    43     1.36602   109.15049   153.11378
   44    43 S   CT   _C6_    44     1.44029   110.07091    -1.41527
   45    44 S   HC   _H3_    45     1.09935   105.77643    92.08287
   46    39 S   CT   _C7_    46     1.54088   119.10436   -64.12171
   47    46 S   HC   _H4_    47     1.09634   108.88228    84.32138
   48    44 S   CT   _C5_    67     1.53968   111.13886  -149.29243
   49    46 S   CT   _C8_    48     1.54336   115.03573   -37.04211
   50    49 S   HC   _H11    49     1.09417   109.10437    44.12085
   51    49 S   HC   _H12    50     1.09143   111.41486   -70.12397
   52    62 S   CT   _C11    68     1.50900   119.12052   -23.29046
   53    48 S   CT   _C4_    71     1.54861   113.19092    28.50025
   54    53 S   HC   _H8_    72     1.08823   113.70603    67.81647
   55    53 S   HC   _H9_    73     1.09701   111.06123   -53.08731
   56    53 S   HC   _H10    74     1.09546   112.82123  -169.95466
   57    49 S   CT   _C9_    51     1.53799   115.91631   161.18404
   58    57 S   HC   _H13    52     1.09695   108.12636   179.54286
   59    57 S   HC   _H14    53     1.10000   105.58623   -68.71787
   60    52 S   OH   _O35    69     1.42753   110.98336   -76.56516
   61    60 S   HO   _H19    70     0.97280   108.68833   -50.69663
   62    57 S   CT   _C10    54     1.53026   121.69515    52.48989
   63    62 S   HC   _H5_    55     1.10244   104.30164  -142.78118
   64    62 S   CT   _C15    56     1.52693   117.48341   101.95575
   65    64 S   HC   _H17    57     1.09274   113.67590   -33.98716
   66    64 S   HC   _H18    58     1.09478   111.53263    87.91718
   67    64 S   OS   _O34    59     1.45013   106.99370  -153.95583
   68    67 S   CT   _C12    60     1.43450   108.14441    -3.08223
   69    68 S   HC   _H6_    61     1.09656   107.81890   -95.48251
   70    68 S   CT   _C13    62     1.52594   114.39911   141.51406
   71    70 S   HC   _H15    63     1.09378   111.08750   144.87466
   72    70 S   HC   _H16    64     1.09218   112.58990    19.02290
   73    70 S   CO4  _C14    65     1.51861   103.04400   -99.82903
   74    73 S   O    _O33    66     1.22507   123.25056  -172.08872
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  19   7  12   5  20
   9   5   4  22   9   3   2   1  10   4   3   9   2   9   5   6
   3   2   6   6   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    49  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    49    50    51    57    48  
   41    42    43    44    46    47    49  
   42    43    44    45    46    47    49    48  
   43    44    46  
   44    45    46    47    49    73    48    52    53  
   45    46    47    49    50    51    57    62    68    70    73    74    48    52    60    53    54    55    56  
   46    47    49    73    48    52    53  
   47    49    50    51    57    58    59    62    73    48    52    53  
   49    50    51    57    48  
   52    60    61    53    54    55    56    49    57    62    63    64    67    68    69    70    71    72    73    74  
   50    51    57    58    59    62    63    64    52  
   51    57    58    59    62  
   57    58    59    62  
   60    61    53    54    55    56    57    58    59    62    63    64    65    66    67    68    69    70    71    72    73    74  
   54    55    56    60    62    68    70    73    74  
   55    56    73  
   56    73  
   73  
   58    59    62    63    64    65    66    67    68    60  
   59    62    63    64  
   62    63    64  
   61    62    63    64    67    68    69    70    73  
   62    68  
   63    64    65    66    67    68    69    70    73  
   64    65    66    67    68  
   65    66    67    68    69    70  
   66    67    68  
   67    68  
   68    69    70    71    72    73  
   69    70    71    72    73    74  
   70    71    72    73  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    52   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   320.000  1.410
   67    68   320.000  1.410
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    52   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.522
   73    74   570.000  1.229
   73    48   317.000  1.522
   48    52   268.000  1.529
   48    53   268.000  1.529
   52    60   320.000  1.410
   60    61   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    49    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    49    58.35000  112.70000
   44    48    73    63.00000  111.10000
   44    48    52    58.35000  112.70000
   44    48    53    58.35000  112.70000
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    57    58.35000  112.70000
   49    46    47    37.50000  110.70000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   49    57    62    58.35000  112.70000
   51    49    50    33.00000  107.80000
   57    49    50    37.50000  110.70000
   57    49    51    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    64    58.35000  112.70000
   57    62    52    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    67    50.00000  109.50000
   62    52    68    58.35000  112.70000
   62    52    48    58.35000  112.70000
   62    52    60    50.00000  109.50000
   64    62    63    37.50000  110.70000
   64    67    68    60.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   67    68    69    35.00000  109.50000
   67    68    70    50.00000  109.50000
   67    68    52    50.00000  109.50000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    63.00000  111.10000
   68    52    48    58.35000  112.70000
   68    52    60    50.00000  109.50000
   70    68    69    37.50000  110.70000
   70    73    74    80.00000  120.40000
   70    73    48    70.00000  116.00000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    48    52    63.00000  111.10000
   73    48    53    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    73    74    80.00000  120.40000
   48    52    60    50.00000  109.50000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    37.50000  110.70000
   52    62    63    37.50000  110.70000
   52    62    64    58.35000  112.70000
   52    68    69    37.50000  110.70000
   52    68    70    58.35000  112.70000
   52    60    61    55.00000  108.50000
   53    48    52    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    49   0.56750  1.0 1.0
   33    39    46    49  -0.07550 -1.0 2.0
   33    39    46    49   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    49    50   0.15000  1.0 3.0
   39    46    49    51   0.15000  1.0 3.0
   39    46    49    57   0.56750  1.0 1.0
   39    46    49    57  -0.07550 -1.0 2.0
   39    46    49    57   0.20000  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    49   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    49  -0.95700  1.0 1.0
   41    39    46    49  -0.18200 -1.0 2.0
   41    39    46    49   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    49   0.62750  1.0 1.0
   43    44    46    49  -0.30950 -1.0 2.0
   43    44    46    49   0.27300  1.0 3.0
   43    44    48    73  -0.09450  1.0 1.0
   43    44    48    73  -1.12950 -1.0 2.0
   43    44    48    73   0.54000  1.0 3.0
   43    44    48    52   0.62750  1.0 1.0
   43    44    48    52  -0.30950 -1.0 2.0
   43    44    48    52   0.27300  1.0 3.0
   43    44    48    53   0.62750  1.0 1.0
   43    44    48    53  -0.30950 -1.0 2.0
   43    44    48    53   0.27300  1.0 3.0
   44    46    49    50   0.15000  1.0 3.0
   44    46    49    51   0.15000  1.0 3.0
   44    46    49    57   0.56750  1.0 1.0
   44    46    49    57  -0.07550 -1.0 2.0
   44    46    49    57   0.20000  1.0 3.0
   44    48    52    62   0.56750  1.0 1.0
   44    48    52    62  -0.07550 -1.0 2.0
   44    48    52    62   0.20000  1.0 3.0
   44    48    52    68   0.56750  1.0 1.0
   44    48    52    68  -0.07550 -1.0 2.0
   44    48    52    68   0.20000  1.0 3.0
   44    48    52    60   0.86500  1.0 1.0
   44    48    52    60  -0.17500 -1.0 2.0
   44    48    52    60   0.20800  1.0 3.0
   44    48    53    54   0.15000  1.0 3.0
   44    48    53    55   0.15000  1.0 3.0
   44    48    53    56   0.15000  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    48    73  -0.11250  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   45    44    48    53   0.15000  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    73  -0.95700  1.0 1.0
   46    44    48    73  -0.18200 -1.0 2.0
   46    44    48    73   0.29450  1.0 3.0
   46    44    48    52   0.56750  1.0 1.0
   46    44    48    52  -0.07550 -1.0 2.0
   46    44    48    52   0.20000  1.0 3.0
   46    44    48    53   0.56750  1.0 1.0
   46    44    48    53  -0.07550 -1.0 2.0
   46    44    48    53   0.20000  1.0 3.0
   46    49    57    58   0.15000  1.0 3.0
   46    49    57    59   0.15000  1.0 3.0
   46    49    57    62   0.56750  1.0 1.0
   46    49    57    62  -0.07550 -1.0 2.0
   46    49    57    62   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    57   0.15000  1.0 3.0
   49    57    62    63   0.15000  1.0 3.0
   49    57    62    64   0.56750  1.0 1.0
   49    57    62    64  -0.07550 -1.0 2.0
   49    57    62    64   0.20000  1.0 3.0
   49    57    62    52   0.56750  1.0 1.0
   49    57    62    52  -0.07550 -1.0 2.0
   49    57    62    52   0.20000  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    59   0.15000  1.0 3.0
   50    49    57    62   0.15000  1.0 3.0
   51    49    57    58   0.15000  1.0 3.0
   51    49    57    59   0.15000  1.0 3.0
   51    49    57    62   0.15000  1.0 3.0
   57    62    64    65   0.15000  1.0 3.0
   57    62    64    66   0.15000  1.0 3.0
   57    62    64    67   0.62750  1.0 1.0
   57    62    64    67  -0.30950 -1.0 2.0
   57    62    64    67   0.27300  1.0 3.0
   57    62    52    68   0.56750  1.0 1.0
   57    62    52    68  -0.07550 -1.0 2.0
   57    62    52    68   0.20000  1.0 3.0
   57    62    52    48   0.56750  1.0 1.0
   57    62    52    48  -0.07550 -1.0 2.0
   57    62    52    48   0.20000  1.0 3.0
   57    62    52    60   0.86500  1.0 1.0
   57    62    52    60  -0.17500 -1.0 2.0
   57    62    52    60   0.20800  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    52   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    52   0.15000  1.0 3.0
   62    64   -67    68   0.06250  1.0 1.0
   62    64   -67    68  -0.01100 -1.0 2.0
   62    64   -67    68   0.28050  1.0 3.0
   62    52    60    61  -0.11600  1.0 1.0
   62    52    60    61  -0.09450 -1.0 2.0
   62    52    60    61   0.21250  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    67   0.23400  1.0 3.0
   63    62    52    68   0.15000  1.0 3.0
   63    62    52    48   0.15000  1.0 3.0
   63    62    52    60   0.23400  1.0 3.0
   64    62   -52    68   0.56750  1.0 1.0
   64    62   -52    68  -0.07550 -1.0 2.0
   64    62   -52    68   0.20000  1.0 3.0
   64    62    52    48   0.56750  1.0 1.0
   64    62    52    48  -0.07550 -1.0 2.0
   64    62    52    48   0.20000  1.0 3.0
   64    62    52    60   0.86500  1.0 1.0
   64    62    52    60  -0.17500 -1.0 2.0
   64    62    52    60   0.20800  1.0 3.0
   64    67    68    69   0.37050  1.0 3.0
   64    67    68    70   0.06250  1.0 1.0
   64    67    68    70  -0.01100 -1.0 2.0
   64    67    68    70   0.28050  1.0 3.0
   64    67   -68    52   0.06250  1.0 1.0
   64    67   -68    52  -0.01100 -1.0 2.0
   64    67   -68    52   0.28050  1.0 3.0
   65    64    67    68   0.37050  1.0 3.0
   66    64    67    68   0.37050  1.0 3.0
   67    68    70    71   0.23400  1.0 3.0
   67    68    70    72   0.23400  1.0 3.0
   67    68    70    73  -0.09450  1.0 1.0
   67    68    70    73  -1.12950 -1.0 2.0
   67    68    70    73   0.54000  1.0 3.0
   67    68   -52    62   0.62750  1.0 1.0
   67    68   -52    62  -0.30950 -1.0 2.0
   67    68   -52    62   0.27300  1.0 3.0
   67    68    52    48   0.62750  1.0 1.0
   67    68    52    48  -0.30950 -1.0 2.0
   67    68    52    48   0.27300  1.0 3.0
   67    68    52    60   3.69350  1.0 1.0
   67    68    52    60  -1.82950 -1.0 2.0
   68    70    73    74   0.30150 -1.0 2.0
   68    70   -73    48   0.60050  1.0 1.0
   68    70   -73    48   0.05600 -1.0 2.0
   68    70   -73    48   0.26150  1.0 3.0
   68    52    60    61  -0.11600  1.0 1.0
   68    52    60    61  -0.09450 -1.0 2.0
   68    52    60    61   0.21250  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73  -0.11250  1.0 3.0
   69    68    52    62   0.15000  1.0 3.0
   69    68    52    48   0.15000  1.0 3.0
   69    68    52    60   0.23400  1.0 3.0
   70    68    52    62   0.56750  1.0 1.0
   70    68    52    62  -0.07550 -1.0 2.0
   70    68    52    62   0.20000  1.0 3.0
   70    68   -52    48   0.56750  1.0 1.0
   70    68   -52    48  -0.07550 -1.0 2.0
   70    68   -52    48   0.20000  1.0 3.0
   70    68    52    60   0.86500  1.0 1.0
   70    68    52    60  -0.17500 -1.0 2.0
   70    68    52    60   0.20800  1.0 3.0
   70    73    48    44   0.60050  1.0 1.0
   70    73    48    44   0.05600 -1.0 2.0
   70    73    48    44   0.26150  1.0 3.0
   70    73   -48    52   0.60050  1.0 1.0
   70    73   -48    52   0.05600 -1.0 2.0
   70    73   -48    52   0.26150  1.0 3.0
   70    73    48    53   0.60050  1.0 1.0
   70    73    48    53   0.05600 -1.0 2.0
   70    73    48    53   0.26150  1.0 3.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    48   0.00000  1.0 1.0
   72    70    73    74   0.00000  1.0 1.0
   72    70    73    48   0.00000  1.0 1.0
   73    48    52    62  -0.95700  1.0 1.0
   73    48    52    62  -0.18200 -1.0 2.0
   73    48    52    62   0.29450  1.0 3.0
   73    48   -52    68  -0.95700  1.0 1.0
   73    48   -52    68  -0.18200 -1.0 2.0
   73    48   -52    68   0.29450  1.0 3.0
   73    48    52    60  -0.09450  1.0 1.0
   73    48    52    60  -1.12950 -1.0 2.0
   73    48    52    60   0.54000  1.0 3.0
   73    48    53    54  -0.11250  1.0 3.0
   73    48    53    55  -0.11250  1.0 3.0
   73    48    53    56  -0.11250  1.0 3.0
   74    73    48    44   0.30150 -1.0 2.0
   74    73    48    52   0.30150 -1.0 2.0
   74    73    48    53   0.30150 -1.0 2.0
   48    44    46    39   0.56750  1.0 1.0
   48    44    46    39  -0.07550 -1.0 2.0
   48    44    46    39   0.20000  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    49   0.56750  1.0 1.0
   48    44    46    49  -0.07550 -1.0 2.0
   48    44    46    49   0.20000  1.0 3.0
   48    52    60    61  -0.11600  1.0 1.0
   48    52    60    61  -0.09450 -1.0 2.0
   48    52    60    61   0.21250  1.0 3.0
   52    62    64    65   0.15000  1.0 3.0
   52    62    64    66   0.15000  1.0 3.0
   52    62   -64    67   0.62750  1.0 1.0
   52    62   -64    67  -0.30950 -1.0 2.0
   52    62   -64    67   0.27300  1.0 3.0
   52    68    70    71   0.15000  1.0 3.0
   52    68    70    72   0.15000  1.0 3.0
   52    68   -70    73  -0.95700  1.0 1.0
   52    68   -70    73  -0.18200 -1.0 2.0
   52    68   -70    73   0.29450  1.0 3.0
   52    48    53    54   0.15000  1.0 3.0
   52    48    53    55   0.15000  1.0 3.0
   52    48    53    56   0.15000  1.0 3.0
   53    48    52    62   0.56750  1.0 1.0
   53    48    52    62  -0.07550 -1.0 2.0
   53    48    52    62   0.20000  1.0 3.0
   53    48    52    68   0.56750  1.0 1.0
   53    48    52    68  -0.07550 -1.0 2.0
   53    48    52    68   0.20000  1.0 3.0
   53    48    52    60   0.86500  1.0 1.0
   53    48    52    60  -0.17500 -1.0 2.0
   53    48    52    60   0.20800  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
   39    43    41    42  10.50000 -1.0 2.0
   70    48    73    74  10.50000 -1.0 2.0
END
