* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    133    212     395
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02077   104.80195   -32.85551
    3     1 S   H    _H1_     3     1.02050    67.46857    71.59170
    4     1 S   H    _H2_     4     1.02130    45.37083  -134.63845
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C15    36     1.85660    97.13490  -158.15852
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C6_    37     1.53303   107.50699   180.00000
   38    37 S   CM   _C7_    38     1.35688   120.64907    89.73723
   39    37 S   CT   _C5_    55     1.52630   117.53587   -93.94797
   40    39 S   HC   _H3_    56     1.13018   107.95169  -140.68246
   41    38 S   CA   _C8_    39     1.47762   121.34998    -1.67456
   42    38 S   OH   _O37    53     1.37996   124.37152   179.25796
   43    42 S   HO   _H18    54     0.96338   109.87636    -0.89569
   44    39 S   OS   _O34    57     1.43301   114.95845   -21.12505
   45    39 S   CT   _C4_    69     1.52601   112.19059   100.98523
   46    45 S   HC   _H5_    70     1.08724   109.60183   -61.44176
   47    45 S   HC   _H6_    71     1.08743   109.63299   178.57371
   48    45 S   HC   _H7_    72     1.08749   109.65241    58.51819
   49    41 S   CA   _C9_    40     1.40562   119.25652    16.85188
   50    44 S   CT   _C17    58     1.42401   114.15456   -27.79375
   51    50 S   HC   _H4_    59     1.06749   109.57041   -50.65512
   52    49 S   CA   _C10    41     1.40196   120.27383   178.72743
   53    52 S   HA   _H8_    42     1.08602   120.40762  -178.66675
   54    33 S   CT   _C14    50     1.55174   108.24488   -60.04694
   55    54 S   HC   _H12    51     1.09794   109.86663   168.12791
   56    54 S   HC   _H13    52     1.09675   110.84721    51.14620
   57    33 S   CT   _C16    60     1.55064   108.41391    57.22109
   58    57 S   HC   _H14    61     1.08112   111.14853     7.72055
   59    57 S   HC   _H15    62     1.08597   109.08066  -108.96805
   60    50 S   CT   _C18    63     1.52229   107.90316  -170.63223
   61    60 S   HC   _H16    64     1.09432   108.64384   -41.94791
   62    60 S   HC   _H17    65     1.09474   108.61622  -158.78019
   63    52 S   CA   _C11    43     1.39283   120.25542     1.10765
   64    63 S   HA   _H9_    44     1.08540   120.04712   179.81129
   65    60 S   CO3  _C19    66     1.52809   115.14285    79.63651
   66    65 S   O2Z  _O36    67     1.26113   116.89735   -31.76243
   67    65 S   O2Z  _O35    68     1.26508   113.78807   148.12560
   68    63 S   CA   _C12    45     1.39154   119.88762    -0.60909
   69    68 S   HA   _H10    46     1.08660   119.46861   179.71607
   70    41 S   CA   _C13    47     1.40398   122.02602  -163.53246
   71    70 S   OH   _O33    48     1.36578   122.64842     2.24498
   72    71 S   HO   _H11    49     0.96908   110.00399   178.42331
  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  12   5   4   3
  19   2   1   1  20  14  13   6  14   3   1  13   4   2   1   1
  11  11   7   9   4   7   2   1   6   2   1   5   4   3   5   3
   2   1   1   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    54    57    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    49    54    55    56    39    50    57    58    59  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    49    52    54    55    56    42    39    40    44    50    51    57    58    59    60    45  
   35    36  
   36  
    0  
   38    41    49    70    54    55    56    42    43    39    40    44    50    57    58    59    45    46    47    48  
   41    49    52    68    70    71    54    42    43    39    40    44    57    45  
   40    44    50    51    57    60    45    46    47    48    41    42    54  
   44    50    45    46    47    48  
   49    52    53    63    68    69    70    71    72    54    55    56    42    43  
   43    49    70  
    0  
   50    51    57    58    59    60    61    62    65    45    46    47    48  
   46    47    48    50  
   47    48  
   48  
    0  
   52    53    63    64    68    70    71    54    55    56    57  
   51    57    58    59    60    61    62    65    66    67    54  
   57    58    59    60    61    62    65  
   53    63    64    68    69    70    54    55    56  
   63    64    68    54  
   55    56    57    58    59    63    70  
   56    57  
   57  
   58    59    60    61    62    65  
   59    60  
   60  
   61    62    65    66    67  
   62    65    66    67  
   65    66    67  
   64    68    69    70    71  
   68    69    70  
   66    67  
   67  
    0  
   69    70    71    72  
   70    71  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   222.000  1.810
   33    37   317.000  1.510
   33    54   268.000  1.529
   33    57   268.000  1.529
   37    38   549.000  1.340
   37    39   317.000  1.510
   38    41   320.000  1.460
   38    42   510.000  1.338
   41    49   469.000  1.400
   41    70   469.000  1.400
   49    52   469.000  1.400
   49    54   317.000  1.510
   52    53   367.000  1.080
   52    63   469.000  1.400
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   42    43   553.000  0.945
   39    40   340.000  1.090
   39    44   320.000  1.410
   39    45   268.000  1.529
   44    50   320.000  1.410
   50    51   340.000  1.090
   50    57   268.000  1.529
   50    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   317.000  1.522
   65    66   656.000  1.250
   65    67   656.000  1.250
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    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    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    37    75.00000  112.20000
   29    33    54    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    39    65.00000  117.92700
   33    54    49    70.00000  112.17500
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   33    57    50    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   37    38    41    60.00000  123.20500
   37    38    42    80.00000  121.38400
   37    39    40    35.00000  109.50000
   37    39    44    85.00000  110.90400
   37    39    45    70.00000  112.02700
   38    41    49    60.00000  120.93500
   38    41    70    60.00000  120.93500
   38    42    43    70.00000  107.45700
   41    49    52    63.00000  120.00000
   41    49    54    70.00000  120.00000
   41    70    68    63.00000  120.00000
   41    70    71    70.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    63    63.00000  120.00000
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   52    63    64    35.00000  120.00000
   52    63    68    63.00000  120.00000
   63    52    53    35.00000  120.00000
   63    68    69    35.00000  120.00000
   63    68    70    63.00000  120.00000
   68    63    64    35.00000  120.00000
   68    70    71    70.00000  120.00000
   70    41    49    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  113.00000
   54    33    37    70.00000  112.02700
   54    49    52    70.00000  120.00000
   56    54    55    33.00000  107.80000
   42    38    41    85.00000  114.86500
   39    37    38    70.00000  124.00000
   39    44    50    60.00000  109.50000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    48    37.50000  110.70000
   44    39    40    35.00000  109.50000
   44    50    51    35.00000  109.50000
   44    50    57    50.00000  109.50000
   44    50    60    50.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    60    61    37.50000  110.70000
   50    60    62    37.50000  110.70000
   50    60    65    70.00000  109.69300
   57    33    37    70.00000  112.02700
   57    33    54    58.35000  112.70000
   57    50    51    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    50    51    37.50000  110.70000
   60    50    57    58.35000  112.70000
   60    65    66    70.00000  117.00000
   60    65    67    70.00000  117.00000
   62    60    61    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    35.00000  109.50000
   67    65    66    80.00000  126.00000
   45    39    40    37.50000  110.70000
   45    39    44    50.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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    37    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    39   0.30250  1.0 1.0
   29    33    37    39  -0.14950 -1.0 2.0
   29    33    37    39   0.36900  1.0 3.0
   29    33    54    49   0.56750  1.0 1.0
   29    33    54    49  -0.07550 -1.0 2.0
   29    33    54    49   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   29    33    57    50   0.44750  1.0 1.0
   29    33    57    50  -0.17800 -1.0 2.0
   29    33    57    50   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   33    37    38    41   7.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    39    40   0.34800  1.0 3.0
   33    37    39    44   0.09700  1.0 1.0
   33    37    39    44   0.15600 -1.0 2.0
   33    37    39    44  -0.50800  1.0 3.0
   33    37    39    45   0.46850  1.0 1.0
   33    37    39    45   0.08550 -1.0 2.0
   33    37    39    45   0.09800  1.0 3.0
   37    33    54    49   0.21200  1.0 1.0
   37    33    54    49   0.16900 -1.0 2.0
   37    33    54    49  -1.15100  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    56   0.15000  1.0 3.0
   37    33    57    50   0.34400  1.0 1.0
   37    33    57    50   0.09450 -1.0 2.0
   37    33    57    50   0.11100  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    38   -41    49   0.15800  1.0 1.0
   37    38   -41    49   1.85350 -1.0 2.0
   37    38   -41    49  -0.48700  1.0 3.0
   37    38    41    70   0.15800  1.0 1.0
   37    38    41    70   1.85350 -1.0 2.0
   37    38    41    70  -0.48700  1.0 3.0
   37    38    42    43  -0.66100  1.0 1.0
   37    38    42    43   1.20850 -1.0 2.0
   37    38    42    43  -0.36000  1.0 3.0
   37    39   -44    50  -0.77900  1.0 1.0
   37    39   -44    50  -0.36900 -1.0 2.0
   37    39   -44    50   0.40400  1.0 3.0
   37    39    45    46   0.15000  1.0 3.0
   37    39    45    47   0.15000  1.0 3.0
   37    39    45    48   0.15000  1.0 3.0
   38    37    39    40   0.00000  1.0 1.0
   38    37    39    44   0.39000  1.0 1.0
   38    37    39    44  -0.05800 -1.0 2.0
   38    37    39    44  -0.55150  1.0 3.0
   38    37    39    45   0.09850  1.0 1.0
   38    37    39    45   0.15250 -1.0 2.0
   38    37    39    45  -0.50650  1.0 3.0
   38    41    49    52   3.62500 -1.0 2.0
   38    41    49    54   3.62500 -1.0 2.0
   38    41    70    68   3.62500 -1.0 2.0
   38    41    70    71   3.62500 -1.0 2.0
   41    38    42    43   2.00000 -1.0 2.0
   41    49    52    53   3.62500 -1.0 2.0
   41    49    52    63   3.62500 -1.0 2.0
   41    49   -54    33   0.04150 -1.0 2.0
   41    49    54    55   0.00000  1.0 1.0
   41    49    54    56   0.00000  1.0 1.0
   41    70    71    72   0.84100 -1.0 2.0
   49    41    70    68   3.62500 -1.0 2.0
   49    41    70    71   3.62500 -1.0 2.0
   49    52    63    64   3.62500 -1.0 2.0
   49    52   -63    68   3.62500 -1.0 2.0
   52    49    54    33   0.04150 -1.0 2.0
   52    49    54    55   0.00000  1.0 1.0
   52    49    54    56   0.00000  1.0 1.0
   52    63    68    69   3.62500 -1.0 2.0
   52    63    68    70   3.62500 -1.0 2.0
   53    52    63    64   3.62500 -1.0 2.0
   53    52    63    68   3.62500 -1.0 2.0
   63    68   -70    41   3.62500 -1.0 2.0
   63    68    70    71   3.62500 -1.0 2.0
   64    63    68    69   3.62500 -1.0 2.0
   64    63    68    70   3.62500 -1.0 2.0
   68    70    71    72   0.84100 -1.0 2.0
   69    68    70    41   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   70    41   -49    52   3.62500 -1.0 2.0
   70    41    49    54   3.62500 -1.0 2.0
   54    33   -37    38   0.09850  1.0 1.0
   54    33   -37    38   0.15250 -1.0 2.0
   54    33   -37    38  -0.50650  1.0 3.0
   54    33    37    39   0.46850  1.0 1.0
   54    33    37    39   0.08550 -1.0 2.0
   54    33    37    39   0.09800  1.0 3.0
   54    33    57    50   0.56750  1.0 1.0
   54    33    57    50  -0.07550 -1.0 2.0
   54    33    57    50   0.20000  1.0 3.0
   54    33    57    58   0.15000  1.0 3.0
   54    33    57    59   0.15000  1.0 3.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    63   3.62500 -1.0 2.0
   42    38    41    49  -0.01750  1.0 1.0
   42    38    41    49  -0.32000 -1.0 2.0
   42    38    41    49   0.00600  1.0 3.0
   42    38    41    70  -0.01750  1.0 1.0
   42    38    41    70  -0.32000 -1.0 2.0
   42    38    41    70   0.00600  1.0 3.0
   39    37    38    41   7.00000 -1.0 2.0
   39    37    38    42   7.00000 -1.0 2.0
   39    44    50    51   0.37050  1.0 3.0
   39    44    50    57   0.06250  1.0 1.0
   39    44    50    57  -0.01100 -1.0 2.0
   39    44    50    57   0.28050  1.0 3.0
   39    44    50    60   0.06250  1.0 1.0
   39    44    50    60  -0.01100 -1.0 2.0
   39    44    50    60   0.28050  1.0 3.0
   40    39    44    50   0.37050  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    48   0.15000  1.0 3.0
   44    39    45    46   0.23400  1.0 3.0
   44    39    45    47   0.23400  1.0 3.0
   44    39    45    48   0.23400  1.0 3.0
   44    50   -57    33   0.62750  1.0 1.0
   44    50   -57    33  -0.30950 -1.0 2.0
   44    50   -57    33   0.27300  1.0 3.0
   44    50    57    58   0.23400  1.0 3.0
   44    50    57    59   0.23400  1.0 3.0
   44    50    60    61   0.23400  1.0 3.0
   44    50    60    62   0.23400  1.0 3.0
   44    50    60    65  -3.35100  1.0 1.0
   44    50    60    65  -0.37050 -1.0 2.0
   44    50    60    65   0.22400  1.0 3.0
   50    60    65    66   0.41150 -1.0 2.0
   50    60    65    67   0.41150 -1.0 2.0
   51    50    57    33   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    60    61   0.15000  1.0 3.0
   51    50    60    62   0.15000  1.0 3.0
   51    50    60    65  -0.11250  1.0 3.0
   57    33    37    38   0.09850  1.0 1.0
   57    33    37    38   0.15250 -1.0 2.0
   57    33    37    38  -0.50650  1.0 3.0
   57    33   -37    39   0.46850  1.0 1.0
   57    33   -37    39   0.08550 -1.0 2.0
   57    33   -37    39   0.09800  1.0 3.0
   57    33    54    49  -0.03700  1.0 1.0
   57    33    54    49   0.37200 -1.0 2.0
   57    33    54    49  -0.47300  1.0 3.0
   57    33    54    55   0.15000  1.0 3.0
   57    33    54    56   0.15000  1.0 3.0
   57    50    60    61   0.15000  1.0 3.0
   57    50    60    62   0.15000  1.0 3.0
   57    50    60    65  -1.63150  1.0 1.0
   57    50    60    65  -0.43550 -1.0 2.0
   57    50    60    65   0.24500  1.0 3.0
   60    50    57    33   0.56750  1.0 1.0
   60    50    57    33  -0.07550 -1.0 2.0
   60    50    57    33   0.20000  1.0 3.0
   60    50    57    58   0.15000  1.0 3.0
   60    50    57    59   0.15000  1.0 3.0
   61    60    65    66   0.00000  1.0 1.0
   61    60    65    67   0.00000  1.0 1.0
   62    60    65    66   0.00000  1.0 1.0
   62    60    65    67   0.00000  1.0 1.0
   45    39    44    50   0.06250  1.0 1.0
   45    39    44    50  -0.01100 -1.0 2.0
   45    39    44    50   0.28050  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
   35    30    34    36  10.50000 -1.0 2.0
   33    39    37    38   1.10000 -1.0 2.0
   41    42    38    37   1.10000 -1.0 2.0
   49    70    41    38   4.00000 -1.0 2.0
   52    54    49    41   4.00000 -1.0 2.0
   63    53    52    49   1.10000 -1.0 2.0
   68    64    63    52   1.10000 -1.0 2.0
   70    69    68    63   1.10000 -1.0 2.0
   68    71    70    41   4.00000 -1.0 2.0
   66    60    65    67  10.50000 -1.0 2.0
END
