* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    129    211     384
    1     0 S   NP   _N1_     1    30.79464    92.08179   -17.48809
    2     1 S   H    _HN1     2     1.02757    87.09269   -26.85053
    3     1 S   H    _H1_     3     1.03499   147.69750    91.07551
    4     1 S   H    _H2_     4     1.02859    40.24614    95.74958
    5     1 S   CT   _CA1     5     1.50867    88.67620  -138.91482
    6     5 S   HC   _HA1     6     1.09674   105.04997    33.66525
    7     5 S   CO3  _C1_     7     1.54455   110.68118   -82.63513
    8     7 S   O2Z  _O11     8     1.26145   116.75113  -107.13492
    9     7 S   O2Z  _O12     9     1.26544   113.82698    71.50411
   10     5 S   CT   _CB1    10     1.52708   105.96262   149.21014
   11    10 S   HC   HB11    11     1.09902   109.58080   -52.74242
   12    10 S   HC   HB12    12     1.09234   108.87488    61.89016
   13    10 S   CT   _CG1    13     1.53043   114.87211  -174.42473
   14    13 S   HC   HG11    14     1.09415   112.41388   -48.65867
   15    13 S   HC   HG12    15     1.09540   110.60696    71.21427
   16    13 S   C    _CD1    16     1.51640   108.84374  -169.02883
   17    16 S   O    _OE1    17     1.22783   121.96851  -100.72199
   18    16 S   N    _N2_    18     1.38563   112.57523    76.66864
   19    18 S   H    _HN2    19     1.01635   118.86700     7.73723
   20    18 S   CT1  _CA2    20     1.46275   123.75489  -168.02467
   21    20 S   HC   _HA2    21     1.09752   108.95620    10.25344
   22    20 S   C    _C2_    22     1.53280   109.00622  -106.07454
   23    22 S   O    _O2_    23     1.23044   122.22951  -138.03684
   24    20 S   CT   _CB2    32     1.54045   111.26656   131.18566
   25    24 S   HC   HB21    33     1.09291   109.53221    66.55156
   26    24 S   HC   HB22    34     1.09475   109.53566  -175.38408
   27    22 S   N    _N3_    24     1.38482   113.57541    48.72626
   28    27 S   H    _HN3    25     1.01498   119.15807     0.95675
   29    24 S   S    _SG2    35     1.83378   110.93573   -55.48491
   30    27 S   CT   _CA3    26     1.45429   123.09714   176.15310
   31    30 S   HC   HA31    27     1.09549   108.84973    31.16318
   32    30 S   HC   HA32    28     1.09489   107.18244   148.05734
   33    29 S   CT   _C21    36     1.90272   102.88478   162.18354
   34    30 S   CO3  _C3_    29     1.52950   113.52290   -92.08392
   35    34 S   O2Z  _O31    30     1.26374   115.60088   -41.39890
   36    34 S   O2Z  _O32    31     1.26396   114.87349   139.64586
   37    33 S   CA   _C12    37     1.56452   116.32293   -51.77842
   38    33 S   CO4  _C16    54     1.54741    99.58253    68.89896
   39    38 S   O    _O21    55     1.23102   122.27137   -90.15878
   40    33 S   CT   _C20    67     1.55068   109.58472  -175.09360
   41    40 S   HC   _H34    68     1.10091   108.35277  -174.27200
   42    37 S   CA   _C11    38     1.42411   122.87609   152.08520
   43    38 S   CA   _C9_    56     1.48878   119.02589    85.93134
   44    40 S   CO3  _C19    69     1.54898   116.23977    68.56204
   45    44 S   O2Z  _O20    70     1.26620   114.19020   108.14905
   46    44 S   O2Z  _O24    71     1.26292   117.18370   -72.14326
   47    42 S   CA   _C7_    39     1.41107   121.71649  -176.93548
   48    47 S   HA   _H31    40     1.08899   120.28182   179.25375
   49    42 S   CO4  _C18    51     1.48525   123.96027     6.88835
   50    49 S   O    _O23    52     1.22599   122.59997  -160.59205
   51    49 S   HC   _H33    53     1.09744   117.80521    20.68439
   52    43 S   CA   _C5_    57     1.40413   118.05955  -174.52886
   53    52 S   HA   _H29    58     1.08755   121.17516    -1.66071
   54    47 S   CA   _C13    41     1.39265   121.26274    -2.63448
   55    52 S   CA   _C4_    59     1.39374   120.49255   177.83617
   56    55 S   HA   _H28    60     1.08630   120.03835  -179.88636
   57    54 S   CA   _C8_    42     1.38905   118.25939    -2.73130
   58    57 S   HA   _H32    43     1.08810   119.50960  -176.21255
   59    54 S   CT   _C22    47     1.49788   120.79036  -178.18706
   60    59 S   HC   _H35    48     1.09436   110.06107    87.17073
   61    59 S   HC   _H36    49     1.09515   110.91430  -152.32242
   62    59 S   HC   _H37    50     1.09513   110.88598   -33.35273
   63    55 S   CA   _C6_    61     1.39041   119.89059    -0.20842
   64    63 S   HA   _H30    62     1.08680   119.71614  -179.81869
   65    37 S   CA   _C15    44     1.41596   122.33877   -32.05761
   66    63 S   CA   _C14    63     1.39534   119.89923     0.32746
   67    65 S   OH   _O26    45     1.36699   120.32336    -4.00888
   68    67 S   HO   _H39    46     0.97566   110.68111  -171.30426
   69    43 S   CA   _C10    64     1.39935   122.03457     3.61709
   70    66 S   OH   _O25    72     1.36963   115.66100   179.52399
   71    70 S   HO   _H38    73     0.97403   108.86826   177.32138
   72    69 S   CO4  _C17    65     1.48328   119.96100     3.77009
   73    72 S   O    _O22    66     1.22739   119.43567  -167.80537
  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
  19   2   1   1  19  13   4  11   6  10  10   5   2   1  12   4
   4   1   1   8   4   8   6   3   8   3   4   2   1   1   6   3
   2   5   1   1   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    65    38    39    43    72    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    47    57    65    67    49    38    39    43    52    69    72    73    40    41    44    45    46  
   35    36  
   36  
    0  
   42    47    48    54    57    58    65    67    68    49    50    51    38    39    43    72    40    41    44  
   39    43    52    53    55    66    69    72    40    41    44    42    65  
   43    52    69    40  
   41    44    45    46    42    43    65    66    69    72    73  
   44    45    46    69    72    73  
   47    48    54    57    65    67    59    49    50    51  
   52    53    55    56    63    66    69    72    73    70  
   45    46    69    72    73  
   46    72  
   72  
   48    54    57    58    65    59    60    61    62    49    50    51  
   54    57    59    49  
   50    51    54    65  
   51  
    0  
   53    55    56    63    64    66    69    72  
   55    56    63    69  
   57    58    65    67    59    60    61    62  
   56    63    64    66    69    70  
   63    64    66  
   58    65    67    68    59    60    61    62  
   65    67    59  
   60    61    62    65  
   61    62  
   62  
    0  
   64    66    69    72    70    71  
   66    69    70  
   67    68  
   69    72    73    70    71  
   68  
    0  
   72    73    70    71  
   71    72  
    0  
   73  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   51   2.4200   0.0150   0.000000   1.3810   1.2100   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   73   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    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  1.522
   33    40   268.000  1.529
   37    42   469.000  1.400
   37    65   469.000  1.400
   42    47   469.000  1.400
   42    49   310.000  1.470
   47    48   367.000  1.080
   47    54   469.000  1.400
   54    57   469.000  1.400
   54    59   317.000  1.510
   57    58   367.000  1.080
   57    65   469.000  1.400
   65    67   450.000  1.364
   67    68   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   49    50   570.000  1.229
   49    51   340.000  1.090
   38    39   570.000  1.229
   38    43   310.000  1.470
   43    52   469.000  1.400
   43    69   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    56   367.000  1.080
   55    63   469.000  1.400
   63    64   367.000  1.080
   63    66   469.000  1.400
   66    69   469.000  1.400
   66    70   450.000  1.364
   69    72   310.000  1.470
   72    73   570.000  1.229
   72    40   317.000  1.522
   40    41   340.000  1.090
   40    44   317.000  1.522
   44    45   656.000  1.250
   44    46   656.000  1.250
   70    71   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  110.18000
   29    33    40    75.00000  111.63000
   33    37    42    70.00000  120.00000
   33    37    65    70.00000  120.00000
   33    38    39    80.00000  120.40000
   33    38    43    65.00000  115.47100
   33    40    72    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    44    70.00000  109.69300
   37    42    47    63.00000  120.00000
   37    42    49    60.00000  119.52600
   37    65    57    63.00000  120.00000
   37    65    67    70.00000  120.00000
   42    47    48    35.00000  120.00000
   42    47    54    63.00000  120.00000
   42    49    50    75.00000  123.78400
   42    49    51    35.00000  115.00000
   47    54    57    63.00000  120.00000
   47    54    59    70.00000  120.00000
   54    47    48    35.00000  120.00000
   54    57    58    35.00000  120.00000
   54    57    65    63.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    35.00000  109.50000
   57    65    67    70.00000  120.00000
   65    37    42    63.00000  120.00000
   65    57    58    35.00000  120.00000
   65    67    68    35.00000  113.00000
   59    54    57    70.00000  120.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   49    42    47    60.00000  119.52600
   51    49    50    35.00000  123.00000
   38    33    37    70.00000  110.93000
   38    43    52    60.00000  119.52600
   38    43    69    60.00000  119.52600
   43    38    39    75.00000  123.78400
   43    52    53    35.00000  120.00000
   43    52    55    63.00000  120.00000
   43    69    66    63.00000  120.00000
   43    69    72    60.00000  119.52600
   52    55    56    35.00000  120.00000
   52    55    63    63.00000  120.00000
   55    52    53    35.00000  120.00000
   55    63    64    35.00000  120.00000
   55    63    66    63.00000  120.00000
   63    55    56    35.00000  120.00000
   63    66    69    63.00000  120.00000
   63    66    70    70.00000  120.00000
   66    63    64    35.00000  120.00000
   66    69    72    60.00000  119.52600
   66    70    71    35.00000  113.00000
   69    43    52    63.00000  120.00000
   69    72    73    75.00000  123.78400
   69    72    40    65.00000  115.47100
   72    40    41    35.00000  109.50000
   72    40    44    70.00000  107.85200
   40    33    37    70.00000  112.17500
   40    33    38    63.00000  111.10000
   40    72    73    80.00000  120.40000
   40    44    45    70.00000  117.00000
   40    44    46    70.00000  117.00000
   44    40    41    35.00000  109.50000
   46    44    45    80.00000  126.00000
   70    66    69    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    42  -0.16000  1.0 1.0
   29    33    37    42  -0.03200 -1.0 2.0
   29    33    37    42   0.04500  1.0 3.0
   29    33    37    65  -0.16000  1.0 1.0
   29    33    37    65  -0.03200 -1.0 2.0
   29    33    37    65   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    43   0.65300  1.0 1.0
   29    33    38    43  -0.03850 -1.0 2.0
   29    33    38    43   0.33900  1.0 3.0
   29    33    40    72   0.56750  1.0 1.0
   29    33    40    72  -0.07550 -1.0 2.0
   29    33    40    72   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    42    47   3.62500 -1.0 2.0
   33    37    42    49   3.62500 -1.0 2.0
   33    37    65    57   3.62500 -1.0 2.0
   33    37    65    67   3.62500 -1.0 2.0
   33    38    43    52   2.26350  1.0 1.0
   33    38    43    52   0.76750 -1.0 2.0
   33    38    43    52   0.22500  1.0 3.0
   33    38    43    69   2.26350  1.0 1.0
   33    38    43    69   0.76750 -1.0 2.0
   33    38    43    69   0.22500  1.0 3.0
   33    40    44    45   0.41150 -1.0 2.0
   33    40    44    46   0.41150 -1.0 2.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    43   0.65300  1.0 1.0
   37    33    38    43  -0.03850 -1.0 2.0
   37    33    38    43   0.33900  1.0 3.0
   37    33    40    72   0.56750  1.0 1.0
   37    33    40    72  -0.07550 -1.0 2.0
   37    33    40    72   0.20000  1.0 3.0
   37    33    40    41   0.43200  1.0 3.0
   37    33    40    44  -2.95950  1.0 1.0
   37    33    40    44   0.02300  1.0 3.0
   37    42    47    48   3.62500 -1.0 2.0
   37    42    47    54   3.62500 -1.0 2.0
   37    42    49    50   1.05000 -1.0 2.0
   37    42    49    51   0.56600 -1.0 2.0
   37    65    67    68   0.84100 -1.0 2.0
   42    37    65    57   3.62500 -1.0 2.0
   42    37    65    67   3.62500 -1.0 2.0
   42    47   -54    57   3.62500 -1.0 2.0
   42    47    54    59   3.62500 -1.0 2.0
   47    42    49    50   1.05000 -1.0 2.0
   47    42    49    51   0.56600 -1.0 2.0
   47    54    57    58   3.62500 -1.0 2.0
   47    54    57    65   3.62500 -1.0 2.0
   47    54    59    60   0.00000  1.0 1.0
   47    54    59    61   0.00000  1.0 1.0
   47    54    59    62   0.00000  1.0 1.0
   48    47    54    57   3.62500 -1.0 2.0
   48    47    54    59   3.62500 -1.0 2.0
   54    57   -65    37   3.62500 -1.0 2.0
   54    57    65    67   3.62500 -1.0 2.0
   57    54    59    60   0.00000  1.0 1.0
   57    54    59    61   0.00000  1.0 1.0
   57    54    59    62   0.00000  1.0 1.0
   57    65    67    68   0.84100 -1.0 2.0
   58    57    65    37   3.62500 -1.0 2.0
   58    57    65    67   3.62500 -1.0 2.0
   65    37   -42    47   3.62500 -1.0 2.0
   65    37    42    49   3.62500 -1.0 2.0
   59    54    57    58   3.62500 -1.0 2.0
   59    54    57    65   3.62500 -1.0 2.0
   49    42    47    48   3.62500 -1.0 2.0
   49    42    47    54   3.62500 -1.0 2.0
   38    33    37    42   0.04300 -1.0 2.0
   38    33    37    65   0.04300 -1.0 2.0
   38    33    40    72   0.11950  1.0 1.0
   38    33    40    72   0.20300 -1.0 2.0
   38    33    40    72  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    44  -0.30950  1.0 1.0
   38    33    40    44   1.11150 -1.0 2.0
   38    33    40    44   0.40350  1.0 3.0
   38    43    52    53   3.62500 -1.0 2.0
   38    43    52    55   3.62500 -1.0 2.0
   38    43    69    66   3.62500 -1.0 2.0
   38    43   -69    72   3.62500 -1.0 2.0
   39    38    43    52   1.05000 -1.0 2.0
   39    38    43    69   1.05000 -1.0 2.0
   43    52    55    56   3.62500 -1.0 2.0
   43    52    55    63   3.62500 -1.0 2.0
   43    69    72    73   1.05000 -1.0 2.0
   43    69    72    40   2.26350  1.0 1.0
   43    69    72    40   0.76750 -1.0 2.0
   43    69    72    40   0.22500  1.0 3.0
   52    43    69    66   3.62500 -1.0 2.0
   52    43    69    72   3.62500 -1.0 2.0
   52    55    63    64   3.62500 -1.0 2.0
   52    55   -63    66   3.62500 -1.0 2.0
   53    52    55    56   3.62500 -1.0 2.0
   53    52    55    63   3.62500 -1.0 2.0
   55    63    66    69   3.62500 -1.0 2.0
   55    63    66    70   3.62500 -1.0 2.0
   56    55    63    64   3.62500 -1.0 2.0
   56    55    63    66   3.62500 -1.0 2.0
   63    66   -69    43   3.62500 -1.0 2.0
   63    66    69    72   3.62500 -1.0 2.0
   63    66    70    71   0.84100 -1.0 2.0
   64    63    66    69   3.62500 -1.0 2.0
   64    63    66    70   3.62500 -1.0 2.0
   66    69    72    73   1.05000 -1.0 2.0
   66    69    72    40   2.26350  1.0 1.0
   66    69    72    40   0.76750 -1.0 2.0
   66    69    72    40   0.22500  1.0 3.0
   69    43    52    53   3.62500 -1.0 2.0
   69    43   -52    55   3.62500 -1.0 2.0
   69    66    70    71   0.84100 -1.0 2.0
   69    72   -40    33   0.05850 -1.0 2.0
   69    72   -40    33   0.17250  1.0 3.0
   69    72    40    41   0.00000  1.0 1.0
   69    72    40    44   0.65300  1.0 1.0
   69    72    40    44  -0.03850 -1.0 2.0
   69    72    40    44   0.33900  1.0 3.0
   72    40    44    45   0.30150 -1.0 2.0
   72    40    44    46   0.30150 -1.0 2.0
   73    72    40    33   0.30150 -1.0 2.0
   73    72    40    41   0.00000  1.0 1.0
   73    72    40    44   0.30150 -1.0 2.0
   40    33    37    42   0.04150 -1.0 2.0
   40    33    37    65   0.04150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    43   0.05850 -1.0 2.0
   40    33   -38    43   0.17250  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    46   0.00000  1.0 1.0
   70    66    69    43   3.62500 -1.0 2.0
   70    66    69    72   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   42    65    37    33   4.00000 -1.0 2.0
   47    49    42    37   4.00000 -1.0 2.0
   54    48    47    42   1.10000 -1.0 2.0
   57    59    54    47   4.00000 -1.0 2.0
   65    58    57    54   1.10000 -1.0 2.0
   57    67    65    37   4.00000 -1.0 2.0
   42    51    49    50  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   52    69    43    38   4.00000 -1.0 2.0
   55    53    52    43   1.10000 -1.0 2.0
   63    56    55    52   1.10000 -1.0 2.0
   66    64    63    55   1.10000 -1.0 2.0
   69    70    66    63   4.00000 -1.0 2.0
   66    72    69    43   4.00000 -1.0 2.0
   69    40    72    73  10.50000 -1.0 2.0
   45    40    44    46  10.50000 -1.0 2.0
END
