* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    148    240     444
    1     0 S   NP   _N1_     1    28.70425    94.33997   -21.47590
    2     1 S   H    _HN1     2     1.02779    91.36950   -72.81124
    3     1 S   H    _H1_     3     1.02960    92.03878    35.57145
    4     1 S   H    _H2_     4     1.02837    27.94853   159.56312
    5     1 S   CT   _CA1     5     1.50105   138.70258   160.27374
    6     5 S   HC   _HA1     6     1.09574   105.26123    58.81880
    7     5 S   CO3  _C1_     7     1.53811   112.34240   -61.44307
    8     7 S   O2Z  _O11     8     1.26358   115.01458   -45.19137
    9     7 S   O2Z  _O12     9     1.26238   114.91492   134.01885
   10     5 S   CT   _CB1    10     1.53096   107.43608   176.73673
   11    10 S   HC   HB11    11     1.09820   109.40860   -50.81719
   12    10 S   HC   HB12    12     1.09823   110.39034    65.75285
   13    10 S   CT   _CG1    13     1.52992   112.62980  -171.93786
   14    13 S   HC   HG11    14     1.09594   110.35796   -61.75661
   15    13 S   HC   HG12    15     1.09638   110.08521    57.43436
   16    13 S   C    _CD1    16     1.51801   112.28553   177.78300
   17    16 S   O    _OE1    17     1.22716   123.25704    -6.79035
   18    16 S   N    _N2_    18     1.38594   111.59674   173.48455
   19    18 S   H    _HN2    19     1.01586   119.00189     1.46380
   20    18 S   CT1  _CA2    20     1.46256   123.47178  -178.02078
   21    20 S   HC   _HA2    21     1.09732   109.45114   -12.10047
   22    20 S   C    _C2_    22     1.53426   108.24596  -127.83584
   23    22 S   O    _O2_    23     1.23011   122.26906  -145.36483
   24    20 S   CT   _CB2    32     1.53600   111.20054   110.06336
   25    24 S   HC   HB21    33     1.09020   108.98510    55.31848
   26    24 S   HC   HB22    34     1.09488   110.05376   173.87695
   27    22 S   N    _N3_    24     1.38519   113.34672    41.95534
   28    27 S   H    _HN3    25     1.01527   118.90011    -0.63858
   29    24 S   S    _SG2    35     1.82654   111.22986   -66.91682
   30    27 S   CT   _CA3    26     1.45451   123.49038   175.17887
   31    30 S   HC   HA31    27     1.09519   109.30480    23.17290
   32    30 S   HC   HA32    28     1.09497   107.10865   140.17956
   33    29 S   CT   _C15    36     1.90344   104.19865   160.48821
   34    30 S   CO3  _C3_    29     1.52917   113.05279  -100.35414
   35    34 S   O2Z  _O31    30     1.26406   115.37305   -45.39668
   36    34 S   O2Z  _O32    31     1.26350   115.00603   135.53279
   37    33 S   CT   _C8_    37     1.56525   102.66689   160.89251
   38    37 S   HC   _H10    38     1.10358   107.39614    42.60350
   39    33 S   CT   _C14    58     1.61913   112.94877   -83.14693
   40    33 S   CT   _C16    71     1.54454   106.10022    42.78362
   41    40 S   HC   _H17    72     1.09402   112.44935   -67.18818
   42    40 S   HC   _H18    73     1.08696   113.57266   173.49612
   43    40 S   HC   _H19    74     1.09490   112.39774    52.81377
   44    37 S   CO4  _C7_    39     1.52469   121.24497   -75.93577
   45    44 S   O    _O33    40     1.22345   125.69100    29.90938
   46    39 S   CT   _C17    59     1.55965   112.21385   -29.84066
   47    46 S   HC   _H20    60     1.09556   111.80423    72.80428
   48    46 S   HC   _H21    61     1.09386   112.56734   -48.57371
   49    46 S   HC   _H22    62     1.09678   110.97288  -168.86518
   50    39 S   CT   _C18    63     1.55016   113.40915    88.96233
   51    50 S   HC   _H23    64     1.09189   111.96032   -65.74780
   52    50 S   HC   _H24    65     1.09714   110.61903   175.90514
   53    50 S   HC   _H25    66     1.09250   113.13404    56.32637
   54    44 S   CT   _C6_    41     1.51492   111.32903  -152.36625
   55    54 S   HC   _H8_    42     1.09400   108.87737   112.88371
   56    54 S   HC   _H9_    43     1.09278   110.67786  -125.17956
   57    54 S   CT   _C5_    44     1.53695   102.36410    -6.29753
   58    57 S   HC   _H3_    45     1.10003   108.39793   -82.57902
   59    37 S   CT   _C9_    46     1.55937   117.51560   160.98555
   60    57 S   CT   _C4_    67     1.52180   112.26070   159.27239
   61    60 S   HC   _H5_    68     1.09416   112.31708   -52.22184
   62    60 S   HC   _H6_    69     1.09416   111.09285  -173.95525
   63    60 S   HC   _H7_    70     1.09559   110.04117    66.82578
   64    59 S   CT   _C10    47     1.54204   114.81938    49.27902
   65    64 S   HC   _H11    48     1.09527   111.76068   158.68309
   66    64 S   HC   _H12    49     1.09216   113.41558    39.07289
   67    64 S   CT   _C11    50     1.53237   105.07592   -85.29555
   68    67 S   HC   _H13    51     1.09069   112.85975   126.36532
   69    67 S   HC   _H14    52     1.09799   108.71506  -116.37977
   70    67 S   CT   _C12    53     1.53706   105.19978     0.46897
   71    70 S   HC   _H4_    54     1.09725   109.58507  -146.71277
   72    59 S   CT   _C13    55     1.52076   107.55570   -62.81819
   73    72 S   HC   _H15    56     1.09254   113.75361   -50.37343
   74    72 S   HC   _H16    57     1.09735   111.47167  -171.68759
  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  13   5   4   3
  25   2   1   1  25   9  23   8   2   1   1  10   5  11   4   3
   2   7   3   2   1  11   5   4  14   7  15   5   2   1   1  10
   6   5   7   4   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    59    70    39    46    50    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    54    57    59    64    67    70    71    72    39    46    47    48    49    50    51    52    53    40    41    42    43  
   35    36  
   36  
    0  
   38    44    45    54    55    56    57    58    59    64    65    66    67    70    72    73    74    39    46    50    60    40    41    42    43  
   44    45    54    57    59    64    72    39    40  
   46    47    48    49    50    51    52    53    40    41    42    43    44    59    64    67    68    69    70    71    72    73    74  
   41    42    43    44    46    50    59    70  
   42    43  
   43  
    0  
   45    54    55    56    57    58    59    64    72    60  
   54    55    56    57    59  
   47    48    49    50    51    52    53    67    70    71    72  
   48    49    50    70  
   49    50    70  
   50    70  
   51    52    53    67    70    71    72  
   52    53    70  
   53    70  
   70  
   55    56    57    58    59    64    72    60    61    62    63  
   56    57    58    59    60  
   57    58    59    60  
   58    59    64    65    66    67    70    72    73    74    60    61    62    63  
   59    64    72    60    61    62    63  
   64    65    66    67    68    69    70    71    72    73    74    60    61    62    63  
   61    62    63    64    72  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71    72    73    74  
   66    67    68    69    70    72  
   67    68    69    70    72  
   68    69    70    71    72    73    74  
   69    70    71    72  
   70    71    72  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   268.000  1.529
   33    39   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    44   317.000  1.522
   37    59   268.000  1.529
   44    45   570.000  1.229
   44    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    60   268.000  1.529
   59    64   268.000  1.529
   59    72   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    39   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   39    46   268.000  1.529
   39    50   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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  111.63000
   29    33    39    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    37    59    58.35000  112.70000
   33    39    70    58.35000  112.70000
   33    39    46    58.35000  112.70000
   33    39    50    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    80.00000  120.40000
   37    44    54    70.00000  116.00000
   37    59    57    58.35000  112.70000
   37    59    64    58.35000  112.70000
   37    59    72    58.35000  112.70000
   44    37    38    35.00000  109.50000
   44    54    55    35.00000  109.50000
   44    54    56    35.00000  109.50000
   44    54    57    63.00000  111.10000
   54    44    45    80.00000  120.40000
   54    57    58    37.50000  110.70000
   54    57    59    58.35000  112.70000
   54    57    60    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    37.50000  110.70000
   57    54    56    37.50000  110.70000
   57    59    64    58.35000  112.70000
   57    59    72    58.35000  112.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    37.50000  110.70000
   59    37    38    37.50000  110.70000
   59    37    44    63.00000  111.10000
   59    57    58    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    67    58.35000  112.70000
   59    72    70    58.35000  112.70000
   59    72    73    37.50000  110.70000
   59    72    74    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    58.35000  112.70000
   67    70    39    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    39    46    58.35000  112.70000
   70    39    50    58.35000  112.70000
   72    59    64    58.35000  112.70000
   72    70    71    37.50000  110.70000
   74    72    73    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    70    71    37.50000  110.70000
   39    70    72    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    48    37.50000  110.70000
   39    46    49    37.50000  110.70000
   39    50    51    37.50000  110.70000
   39    50    52    37.50000  110.70000
   39    50    53    37.50000  110.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    39    46    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    39    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   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    38   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    37    59   0.44750  1.0 1.0
   29    33    37    59  -0.17800 -1.0 2.0
   29    33    37    59   0.20200  1.0 3.0
   29    33    39    70   0.44750  1.0 1.0
   29    33    39    70  -0.17800 -1.0 2.0
   29    33    39    70   0.20200  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   29    33    39    50   0.44750  1.0 1.0
   29    33    39    50  -0.17800 -1.0 2.0
   29    33    39    50   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    54   0.60050  1.0 1.0
   33    37    44    54   0.05600 -1.0 2.0
   33    37    44    54   0.26150  1.0 3.0
   33    37    59    57   0.56750  1.0 1.0
   33    37    59    57  -0.07550 -1.0 2.0
   33    37    59    57   0.20000  1.0 3.0
   33    37    59    64   0.56750  1.0 1.0
   33    37    59    64  -0.07550 -1.0 2.0
   33    37    59    64   0.20000  1.0 3.0
   33    37    59    72   0.56750  1.0 1.0
   33    37    59    72  -0.07550 -1.0 2.0
   33    37    59    72   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    48   0.15000  1.0 3.0
   33    39    46    49   0.15000  1.0 3.0
   33    39    50    51   0.15000  1.0 3.0
   33    39    50    52   0.15000  1.0 3.0
   33    39    50    53   0.15000  1.0 3.0
   37    33    39    70   0.56750  1.0 1.0
   37    33    39    70  -0.07550 -1.0 2.0
   37    33    39    70   0.20000  1.0 3.0
   37    33    39    46   0.56750  1.0 1.0
   37    33    39    46  -0.07550 -1.0 2.0
   37    33    39    46   0.20000  1.0 3.0
   37    33    39    50   0.56750  1.0 1.0
   37    33    39    50  -0.07550 -1.0 2.0
   37    33    39    50   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    54    55   0.00000  1.0 1.0
   37    44    54    56   0.00000  1.0 1.0
   37    44   -54    57   0.60050  1.0 1.0
   37    44   -54    57   0.05600 -1.0 2.0
   37    44   -54    57   0.26150  1.0 3.0
   37    59    64    65   0.15000  1.0 3.0
   37    59    64    66   0.15000  1.0 3.0
   37    59    64    67   0.56750  1.0 1.0
   37    59    64    67  -0.07550 -1.0 2.0
   37    59    64    67   0.20000  1.0 3.0
   37    59   -72    70   0.56750  1.0 1.0
   37    59   -72    70  -0.07550 -1.0 2.0
   37    59   -72    70   0.20000  1.0 3.0
   37    59    72    73   0.15000  1.0 3.0
   37    59    72    74   0.15000  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    54   0.00000  1.0 1.0
   38    37    59    57   0.15000  1.0 3.0
   38    37    59    64   0.15000  1.0 3.0
   38    37    59    72   0.15000  1.0 3.0
   44    37   -59    57  -0.95700  1.0 1.0
   44    37   -59    57  -0.18200 -1.0 2.0
   44    37   -59    57   0.29450  1.0 3.0
   44    37    59    64  -0.95700  1.0 1.0
   44    37    59    64  -0.18200 -1.0 2.0
   44    37    59    64   0.29450  1.0 3.0
   44    37    59    72  -0.95700  1.0 1.0
   44    37    59    72  -0.18200 -1.0 2.0
   44    37    59    72   0.29450  1.0 3.0
   44    54    57    58  -0.11250  1.0 3.0
   44    54   -57    59  -0.95700  1.0 1.0
   44    54   -57    59  -0.18200 -1.0 2.0
   44    54   -57    59   0.29450  1.0 3.0
   44    54    57    60  -0.95700  1.0 1.0
   44    54    57    60  -0.18200 -1.0 2.0
   44    54    57    60   0.29450  1.0 3.0
   45    44    54    55   0.00000  1.0 1.0
   45    44    54    56   0.00000  1.0 1.0
   45    44    54    57   0.30150 -1.0 2.0
   54    57   -59    37   0.56750  1.0 1.0
   54    57   -59    37  -0.07550 -1.0 2.0
   54    57   -59    37   0.20000  1.0 3.0
   54    57    59    64   0.56750  1.0 1.0
   54    57    59    64  -0.07550 -1.0 2.0
   54    57    59    64   0.20000  1.0 3.0
   54    57    59    72   0.56750  1.0 1.0
   54    57    59    72  -0.07550 -1.0 2.0
   54    57    59    72   0.20000  1.0 3.0
   54    57    60    61   0.15000  1.0 3.0
   54    57    60    62   0.15000  1.0 3.0
   54    57    60    63   0.15000  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    60   0.15000  1.0 3.0
   56    54    57    58   0.15000  1.0 3.0
   56    54    57    59   0.15000  1.0 3.0
   56    54    57    60   0.15000  1.0 3.0
   57    59    64    65   0.15000  1.0 3.0
   57    59    64    66   0.15000  1.0 3.0
   57    59    64    67   0.56750  1.0 1.0
   57    59    64    67  -0.07550 -1.0 2.0
   57    59    64    67   0.20000  1.0 3.0
   57    59    72    70   0.56750  1.0 1.0
   57    59    72    70  -0.07550 -1.0 2.0
   57    59    72    70   0.20000  1.0 3.0
   57    59    72    73   0.15000  1.0 3.0
   57    59    72    74   0.15000  1.0 3.0
   58    57    59    37   0.15000  1.0 3.0
   58    57    59    64   0.15000  1.0 3.0
   58    57    59    72   0.15000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    37    44    45   0.30150 -1.0 2.0
   59    37   -44    54   0.60050  1.0 1.0
   59    37   -44    54   0.05600 -1.0 2.0
   59    37   -44    54   0.26150  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   59    64    67    68   0.15000  1.0 3.0
   59    64    67    69   0.15000  1.0 3.0
   59    64   -67    70   0.56750  1.0 1.0
   59    64   -67    70  -0.07550 -1.0 2.0
   59    64   -67    70   0.20000  1.0 3.0
   64    59   -72    70   0.56750  1.0 1.0
   64    59   -72    70  -0.07550 -1.0 2.0
   64    59   -72    70   0.20000  1.0 3.0
   64    59    72    73   0.15000  1.0 3.0
   64    59    72    74   0.15000  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67   -70    72   0.56750  1.0 1.0
   64    67   -70    72  -0.07550 -1.0 2.0
   64    67   -70    72   0.20000  1.0 3.0
   64    67    70    39   0.56750  1.0 1.0
   64    67    70    39  -0.07550 -1.0 2.0
   64    67    70    39   0.20000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70   -72    59   0.56750  1.0 1.0
   67    70   -72    59  -0.07550 -1.0 2.0
   67    70   -72    59   0.20000  1.0 3.0
   67    70    72    73   0.15000  1.0 3.0
   67    70    72    74   0.15000  1.0 3.0
   67    70    39    33   0.56750  1.0 1.0
   67    70    39    33  -0.07550 -1.0 2.0
   67    70    39    33   0.20000  1.0 3.0
   67    70    39    46   0.56750  1.0 1.0
   67    70    39    46  -0.07550 -1.0 2.0
   67    70    39    46   0.20000  1.0 3.0
   67    70    39    50   0.56750  1.0 1.0
   67    70    39    50  -0.07550 -1.0 2.0
   67    70    39    50   0.20000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    39   0.15000  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    39   0.15000  1.0 3.0
   70    39    46    47   0.15000  1.0 3.0
   70    39    46    48   0.15000  1.0 3.0
   70    39    46    49   0.15000  1.0 3.0
   70    39    50    51   0.15000  1.0 3.0
   70    39    50    52   0.15000  1.0 3.0
   70    39    50    53   0.15000  1.0 3.0
   71    70    72    59   0.15000  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    74   0.15000  1.0 3.0
   71    70    39    33   0.15000  1.0 3.0
   71    70    39    46   0.15000  1.0 3.0
   71    70    39    50   0.15000  1.0 3.0
   72    59    64    65   0.15000  1.0 3.0
   72    59    64    66   0.15000  1.0 3.0
   72    59   -64    67   0.56750  1.0 1.0
   72    59   -64    67  -0.07550 -1.0 2.0
   72    59   -64    67   0.20000  1.0 3.0
   72    70   -39    33   0.56750  1.0 1.0
   72    70   -39    33  -0.07550 -1.0 2.0
   72    70   -39    33   0.20000  1.0 3.0
   72    70    39    46   0.56750  1.0 1.0
   72    70    39    46  -0.07550 -1.0 2.0
   72    70    39    46   0.20000  1.0 3.0
   72    70    39    50   0.56750  1.0 1.0
   72    70    39    50  -0.07550 -1.0 2.0
   72    70    39    50   0.20000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    44  -0.95700  1.0 1.0
   39    33    37    44  -0.18200 -1.0 2.0
   39    33    37    44   0.29450  1.0 3.0
   39    33    37    59   0.56750  1.0 1.0
   39    33    37    59  -0.07550 -1.0 2.0
   39    33    37    59   0.20000  1.0 3.0
   39    33    40    41   0.15000  1.0 3.0
   39    33    40    42   0.15000  1.0 3.0
   39    33    40    43   0.15000  1.0 3.0
   39    70   -72    59   0.56750  1.0 1.0
   39    70   -72    59  -0.07550 -1.0 2.0
   39    70   -72    59   0.20000  1.0 3.0
   39    70    72    73   0.15000  1.0 3.0
   39    70    72    74   0.15000  1.0 3.0
   46    39    50    51   0.15000  1.0 3.0
   46    39    50    52   0.15000  1.0 3.0
   46    39    50    53   0.15000  1.0 3.0
   50    39    46    47   0.15000  1.0 3.0
   50    39    46    48   0.15000  1.0 3.0
   50    39    46    49   0.15000  1.0 3.0
   60    57    59    37   0.56750  1.0 1.0
   60    57    59    37  -0.07550 -1.0 2.0
   60    57    59    37   0.20000  1.0 3.0
   60    57    59    64   0.56750  1.0 1.0
   60    57    59    64  -0.07550 -1.0 2.0
   60    57    59    64   0.20000  1.0 3.0
   60    57    59    72   0.56750  1.0 1.0
   60    57    59    72  -0.07550 -1.0 2.0
   60    57    59    72   0.20000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    37    59   0.56750  1.0 1.0
   40    33    37    59  -0.07550 -1.0 2.0
   40    33    37    59   0.20000  1.0 3.0
   40    33    39    70   0.56750  1.0 1.0
   40    33    39    70  -0.07550 -1.0 2.0
   40    33    39    70   0.20000  1.0 3.0
   40    33    39    46   0.56750  1.0 1.0
   40    33    39    46  -0.07550 -1.0 2.0
   40    33    39    46   0.20000  1.0 3.0
   40    33    39    50   0.56750  1.0 1.0
   40    33    39    50  -0.07550 -1.0 2.0
   40    33    39    50   0.20000  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
   37    54    44    45  10.50000 -1.0 2.0
END
