* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    129    205     377
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02070   104.89919     3.62423
    3     1 S   H    _H1_     3     1.02106    45.69016   105.31824
    4     1 S   H    _H2_     4     1.02087    67.07111  -100.74995
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C11    36     1.83949    98.14010   161.76359
   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   CA   _C8_    37     1.53423   112.86618   -59.98066
   38    33 S   CM   _C14    54     1.50445   112.15789   172.52430
   39    37 S   CA   _C7_    38     1.39518   119.99265   142.39849
   40    39 S   HA   _H7_    39     1.08667   120.53234    -0.03956
   41    38 S   CA   _C15    55     1.46197   125.76801    56.78778
   42    38 S   CM   _C13    66     1.33634   109.22327  -126.29851
   43    39 S   CA   _C6_    40     1.39439   120.01109   179.95154
   44    43 S   HA   _H6_    41     1.08699   119.45250  -179.98022
   45    41 S   CA   _C16    56     1.39540   120.04506   -93.55612
   46    45 S   HA   _H12    57     1.08724   120.81443     0.00000
   47    42 S   OS   _O35    67     1.39110   115.12811     1.14757
   48    42 S   OH   _O36    71     1.36902   124.60122  -176.95496
   49    48 S   HO   _H17    72     0.96574   110.46568  -179.97202
   50    43 S   CA   _C5_    42     1.39513   119.99890    -0.00000
   51    45 S   CA   _C17    58     1.39490   119.97885   180.00000
   52    51 S   HA   _H13    59     1.08583   119.91333   179.88636
   53    33 S   CT   _C12    68     1.55509   105.49397    66.79290
   54    53 S   HC   _H10    69     1.09608   112.73322   -99.43406
   55    53 S   HC   _H11    70     1.09821   113.08554    23.31944
   56    50 S   CA   _C10    43     1.39518   119.98999     0.02798
   57    56 S   HA   _H9_    44     1.08658   120.60183  -179.97202
   58    50 S   SY   _S1_    47     1.74599   120.01116   179.91607
   59    58 S   OY   _O33    48     1.45566   107.94084    24.60711
   60    58 S   OY   _O34    49     1.45715   108.89546   156.10317
   61    51 S   CA   _C18    60     1.39468   120.00317     0.02798
   62    61 S   HA   _H14    61     1.08596   119.94250   179.86012
   63    37 S   CA   _C9_    45     1.39513   120.01727   -37.66267
   64    63 S   HA   _H8_    46     1.08616   120.45742     0.00000
   65    58 S   CT   _C4_    50     1.77853   104.38808   -90.00140
   66    65 S   HC   _H3_    51     1.09091   108.41623  -179.98022
   67    65 S   HC   _H4_    52     1.09136   108.36983   -59.97634
   68    65 S   HC   _H5_    53     1.09112   108.40018    59.95595
   69    61 S   CA   _C19    62     1.39477   120.04863    -0.01978
   70    69 S   HA   _H15    63     1.08533   120.02265   179.92598
   71    41 S   CA   _C20    64     1.39501   119.97478    86.45106
   72    71 S   HA   _H16    65     1.08759   120.87234    -0.03956
  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  11   5   4   3
  17   2   1   1  16  16   9   4  13   8   9   3   8   4   5   2
   1  11   6   3   3   1   1   7   3   7   5   4   5   3   1   1
   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    63    38    41    42    47    53    54    55  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    43    56    63    64    38    41    45    71    42    47    53    54    55    48  
   35    36  
   36  
    0  
   39    40    43    44    50    56    57    63    64    38    41    42    47    53    54    55  
   41    45    46    51    69    71    72    42    47    53    54    55    48    49    39    63  
   40    43    44    50    56    63    64    58    53  
   43    44    50    63  
   45    46    51    52    61    69    70    71    72    42    47    53    48  
   47    53    54    55    48    49    45    71  
   44    50    56    57    63    58    59    60    65  
   50    56    58  
   46    51    52    61    62    69    71    72  
   51    52    61    71  
   53    54    55    48    49  
   49    53  
    0  
   56    57    63    64    58    59    60    65    66    67    68  
   52    61    62    69    70    71  
   61    62    69  
   54    55    63  
   55  
    0  
   57    63    64    58    59    60    65  
   63    64    58  
   59    60    65    66    67    68    63  
   60    65    66    67    68  
   65    66    67    68  
   62    69    70    71    72  
   69    70    71  
   64  
    0  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.282500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   40   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700   0.138000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.2500   0.862400   2.0025   1.7750   0.025682759  -1.666211680
   59   2.9600   0.1700  -0.530000   1.6780   1.4800   0.001000000  -0.126889456
   60   2.9600   0.1700  -0.530000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5000   0.0660  -0.476500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.178700   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.178700   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.178700   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   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    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    38   317.000  1.510
   33    53   268.000  1.529
   37    39   469.000  1.400
   37    63   469.000  1.400
   39    40   367.000  1.080
   39    43   469.000  1.400
   43    44   367.000  1.080
   43    50   469.000  1.400
   50    56   469.000  1.400
   50    58   225.000  1.779
   56    57   367.000  1.080
   56    63   469.000  1.400
   63    64   367.000  1.080
   58    59   735.000  1.471
   58    60   735.000  1.471
   58    65   205.000  1.840
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   38    41   320.000  1.460
   38    42   549.000  1.340
   41    45   469.000  1.400
   41    71   469.000  1.400
   45    46   367.000  1.080
   45    51   469.000  1.400
   51    52   367.000  1.080
   51    61   469.000  1.400
   61    62   367.000  1.080
   61    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   42    47   440.000  1.360
   42    48   510.000  1.338
   47    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   48    49   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    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    80.00000  109.48900
   29    33    38    75.00000  112.20000
   29    33    53    75.00000  111.63000
   33    37    39    70.00000  120.00000
   33    37    63    70.00000  120.00000
   33    38    41    60.00000  124.00000
   33    38    42    70.00000  124.00000
   33    53    47    50.00000  109.50000
   33    53    54    37.50000  110.70000
   33    53    55    37.50000  110.70000
   37    39    40    35.00000  120.00000
   37    39    43    63.00000  120.00000
   37    63    56    63.00000  120.00000
   37    63    64    35.00000  120.00000
   39    43    44    35.00000  120.00000
   39    43    50    63.00000  120.00000
   43    39    40    35.00000  120.00000
   43    50    56    63.00000  120.00000
   43    50    58    65.00000  117.06700
   50    43    44    35.00000  120.00000
   50    56    57    35.00000  120.00000
   50    56    63    63.00000  120.00000
   50    58    59   100.00000  107.67100
   50    58    60   100.00000  107.67100
   50    58    65    80.00000  103.86900
   56    63    64    35.00000  120.00000
   63    37    39    63.00000  120.00000
   63    56    57    35.00000  120.00000
   58    50    56    65.00000  117.06700
   58    65    66    45.00000  108.39800
   58    65    67    45.00000  108.39800
   58    65    68    45.00000  108.39800
   60    58    59   115.00000  120.17200
   65    58    59   100.00000  108.55000
   65    58    60   100.00000  108.55000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   38    33    37    70.00000  112.99600
   38    41    45    60.00000  118.70000
   38    41    71    60.00000  118.70000
   38    42    47    80.00000  120.01400
   38    42    48    80.00000  121.38400
   41    45    46    35.00000  120.00000
   41    45    51    63.00000  120.00000
   41    71    69    63.00000  120.00000
   41    71    72    35.00000  120.00000
   45    51    52    35.00000  120.00000
   45    51    61    63.00000  120.00000
   51    45    46    35.00000  120.00000
   51    61    62    35.00000  120.00000
   51    61    69    63.00000  120.00000
   61    51    52    35.00000  120.00000
   61    69    70    35.00000  120.00000
   61    69    71    63.00000  120.00000
   69    61    62    35.00000  120.00000
   69    71    72    35.00000  120.00000
   71    41    45    63.00000  120.00000
   71    69    70    35.00000  120.00000
   42    38    41    60.00000  123.66000
   42    47    53    90.00000  111.18400
   42    48    49    70.00000  107.45700
   47    53    54    35.00000  109.50000
   47    53    55    35.00000  109.50000
   53    33    37    70.00000  112.17500
   53    33    38    70.00000  112.02700
   55    53    54    33.00000  107.80000
   48    42    47   115.00000  116.36000
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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    39  -0.16000  1.0 1.0
   29    33    37    39  -0.03200 -1.0 2.0
   29    33    37    39   0.04500  1.0 3.0
   29    33    37    63  -0.16000  1.0 1.0
   29    33    37    63  -0.03200 -1.0 2.0
   29    33    37    63   0.04500  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    53    47   0.56750  1.0 1.0
   29    33    53    47  -0.07550 -1.0 2.0
   29    33    53    47   0.20000  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    55   0.15000  1.0 3.0
   33    37    39    40   3.62500 -1.0 2.0
   33    37    39    43   3.62500 -1.0 2.0
   33    37    63    56   3.62500 -1.0 2.0
   33    37    63    64   3.62500 -1.0 2.0
   33    38    41    45  -0.02500  1.0 1.0
   33    38    41    45  -0.32150 -1.0 2.0
   33    38    41    45  -0.01500  1.0 3.0
   33    38    41    71  -0.02500  1.0 1.0
   33    38    41    71  -0.32150 -1.0 2.0
   33    38    41    71  -0.01500  1.0 3.0
   33    38   -42    47   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   37    33    38    41   0.09700  1.0 1.0
   37    33    38    41   0.15600 -1.0 2.0
   37    33    38    41  -0.50800  1.0 3.0
   37    33    38    42   1.44450  1.0 1.0
   37    33    38    42   0.06600 -1.0 2.0
   37    33    38    42   0.29250  1.0 3.0
   37    33    53    47  -0.64350  1.0 1.0
   37    33    53    47  -0.04200 -1.0 2.0
   37    33    53    47   0.19800  1.0 3.0
   37    33    53    54   0.43200  1.0 3.0
   37    33    53    55   0.43200  1.0 3.0
   37    39    43    44   3.62500 -1.0 2.0
   37    39    43    50   3.62500 -1.0 2.0
   39    37    63    56   3.62500 -1.0 2.0
   39    37    63    64   3.62500 -1.0 2.0
   39    43   -50    56   3.62500 -1.0 2.0
   39    43    50    58   3.62500 -1.0 2.0
   40    39    43    44   3.62500 -1.0 2.0
   40    39    43    50   3.62500 -1.0 2.0
   43    50    56    57   3.62500 -1.0 2.0
   43    50    56    63   3.62500 -1.0 2.0
   43    50    58    59   0.19500  1.0 1.0
   43    50    58    59   0.12000 -1.0 2.0
   43    50    58    60   0.19500  1.0 1.0
   43    50    58    60   0.12000 -1.0 2.0
   43    50    58    65   0.07000  1.0 1.0
   43    50    58    65  -0.56050 -1.0 2.0
   43    50    58    65   0.52800  1.0 3.0
   44    43    50    56   3.62500 -1.0 2.0
   44    43    50    58   3.62500 -1.0 2.0
   50    56   -63    37   3.62500 -1.0 2.0
   50    56    63    64   3.62500 -1.0 2.0
   50    58    65    66   0.00000  1.0 1.0
   50    58    65    67   0.00000  1.0 1.0
   50    58    65    68   0.00000  1.0 1.0
   56    50    58    59   0.19500  1.0 1.0
   56    50    58    59   0.12000 -1.0 2.0
   56    50    58    60   0.19500  1.0 1.0
   56    50    58    60   0.12000 -1.0 2.0
   56    50    58    65   0.07000  1.0 1.0
   56    50    58    65  -0.56050 -1.0 2.0
   56    50    58    65   0.52800  1.0 3.0
   57    56    63    37   3.62500 -1.0 2.0
   57    56    63    64   3.62500 -1.0 2.0
   63    37    39    40   3.62500 -1.0 2.0
   63    37   -39    43   3.62500 -1.0 2.0
   58    50    56    57   3.62500 -1.0 2.0
   58    50    56    63   3.62500 -1.0 2.0
   59    58    65    66   0.26000  1.0 3.0
   59    58    65    67   0.26000  1.0 3.0
   59    58    65    68   0.26000  1.0 3.0
   60    58    65    66   0.26000  1.0 3.0
   60    58    65    67   0.26000  1.0 3.0
   60    58    65    68   0.26000  1.0 3.0
   38    33    37    39   0.18050 -1.0 2.0
   38    33    37    63   0.18050 -1.0 2.0
   38    33   -53    47   0.61850  1.0 1.0
   38    33   -53    47  -0.22750 -1.0 2.0
   38    33   -53    47   0.15300  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    55   0.15000  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    51   3.62500 -1.0 2.0
   38    41    71    69   3.62500 -1.0 2.0
   38    41    71    72   3.62500 -1.0 2.0
   38    42   -47    53  -2.26850  1.0 1.0
   38    42   -47    53   3.39050 -1.0 2.0
   38    42    48    49  -0.66100  1.0 1.0
   38    42    48    49   1.20850 -1.0 2.0
   38    42    48    49  -0.36000  1.0 3.0
   41    38    42    47   7.00000 -1.0 2.0
   41    38    42    48   7.00000 -1.0 2.0
   41    45    51    52   3.62500 -1.0 2.0
   41    45    51    61   3.62500 -1.0 2.0
   45    41    71    69   3.62500 -1.0 2.0
   45    41    71    72   3.62500 -1.0 2.0
   45    51    61    62   3.62500 -1.0 2.0
   45    51   -61    69   3.62500 -1.0 2.0
   46    45    51    52   3.62500 -1.0 2.0
   46    45    51    61   3.62500 -1.0 2.0
   51    61    69    70   3.62500 -1.0 2.0
   51    61    69    71   3.62500 -1.0 2.0
   52    51    61    62   3.62500 -1.0 2.0
   52    51    61    69   3.62500 -1.0 2.0
   61    69   -71    41   3.62500 -1.0 2.0
   61    69    71    72   3.62500 -1.0 2.0
   62    61    69    70   3.62500 -1.0 2.0
   62    61    69    71   3.62500 -1.0 2.0
   70    69    71    41   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    41    45    46   3.62500 -1.0 2.0
   71    41   -45    51   3.62500 -1.0 2.0
   42    38    41    45   0.15800  1.0 1.0
   42    38    41    45   1.85350 -1.0 2.0
   42    38    41    45  -0.48700  1.0 3.0
   42    38    41    71   0.15800  1.0 1.0
   42    38    41    71   1.85350 -1.0 2.0
   42    38    41    71  -0.48700  1.0 3.0
   42    47   -53    33  -0.46850  1.0 1.0
   42    47   -53    33   0.09300 -1.0 2.0
   42    47   -53    33  -0.12850  1.0 3.0
   42    47    53    54   0.08050  1.0 3.0
   42    47    53    55   0.08050  1.0 3.0
   47    42    48    49   2.00000 -1.0 2.0
   53    33    37    39   0.04150 -1.0 2.0
   53    33    37    63   0.04150 -1.0 2.0
   53    33    38    41  -0.01700  1.0 1.0
   53    33    38    41   0.06550 -1.0 2.0
   53    33    38    41  -0.91500  1.0 3.0
   53    33   -38    42   0.09850  1.0 1.0
   53    33   -38    42   0.15250 -1.0 2.0
   53    33   -38    42  -0.50650  1.0 3.0
   48    42    47    53   2.00000 -1.0 2.0
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
   39    63    37    33   4.00000 -1.0 2.0
   43    40    39    37   1.10000 -1.0 2.0
   50    44    43    39   1.10000 -1.0 2.0
   56    58    50    43   4.00000 -1.0 2.0
   63    57    56    50   1.10000 -1.0 2.0
   56    64    63    37   1.10000 -1.0 2.0
   33    41    38    42   1.10000 -1.0 2.0
   45    71    41    38   4.00000 -1.0 2.0
   51    46    45    41   1.10000 -1.0 2.0
   61    52    51    45   1.10000 -1.0 2.0
   69    62    61    51   1.10000 -1.0 2.0
   71    70    69    61   1.10000 -1.0 2.0
   69    72    71    41   1.10000 -1.0 2.0
   47    48    42    38   1.10000 -1.0 2.0
END
