* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    225     420
    1     0 S   NP   _N1_     1    28.28493    97.08873   -21.70350
    2     1 S   H    _HN1     2     1.02773   101.86237  -133.36996
    3     1 S   H    _H1_     3     1.02949    73.96513   -27.45939
    4     1 S   H    _H2_     4     1.02830    37.95548   122.66826
    5     1 S   CT   _CA1     5     1.50183   141.22973    75.30735
    6     5 S   HC   _HA1     6     1.09573   105.18014    88.37096
    7     5 S   CO3  _C1_     7     1.53791   112.06017   -31.78029
    8     7 S   O2Z  _O11     8     1.26387   114.99061   -48.16337
    9     7 S   O2Z  _O12     9     1.26202   114.93177   130.43545
   10     5 S   CT   _CB1    10     1.53054   107.34649  -153.76529
   11    10 S   HC   HB11    11     1.09840   109.42492   -49.03628
   12    10 S   HC   HB12    12     1.09809   110.44921    67.52725
   13    10 S   CT   _CG1    13     1.53042   112.66718  -169.94744
   14    13 S   HC   HG11    14     1.09582   110.65762   -64.65516
   15    13 S   HC   HG12    15     1.09656   109.83127    54.59326
   16    13 S   C    _CD1    16     1.51853   111.92625   175.10952
   17    16 S   O    _OE1    17     1.22811   123.21866     9.11667
   18    16 S   N    _N2_    18     1.38432   112.01192  -171.18885
   19    18 S   H    _HN2    19     1.01833   119.42389    -0.93482
   20    18 S   CT1  _CA2    20     1.45818   122.76833  -179.67374
   21    20 S   HC   _HA2    21     1.09740   108.42707    35.20480
   22    20 S   C    _C2_    22     1.53019   107.66054   -82.20372
   23    22 S   O    _O2_    23     1.22964   123.22892   -26.20951
   24    20 S   CT   _CB2    32     1.53244   112.09145   158.18412
   25    24 S   HC   HB21    33     1.09343   109.52308    59.72210
   26    24 S   HC   HB22    34     1.09536   110.40686   177.43158
   27    22 S   N    _N3_    24     1.38551   112.44794   156.46565
   28    27 S   H    _HN3    25     1.01643   120.32376    -2.31071
   29    24 S   S    _SG2    35     1.82906   111.02759   -63.32297
   30    27 S   CT   _CA3    26     1.45338   122.48205   178.58944
   31    30 S   HC   HA31    27     1.09568   107.83054   -55.26304
   32    30 S   HC   HA32    28     1.09562   107.59448    61.07217
   33    29 S   CT   _C16    36     1.90750   101.67960   142.76636
   34    30 S   CO3  _C3_    29     1.52885   114.32682  -177.19453
   35    34 S   O2Z  _O31    30     1.26339   116.08203    -0.33102
   36    34 S   O2Z  _O32    31     1.26442   114.40735   179.63523
   37    33 S   CT   _C10    37     1.57622   103.57288    65.16814
   38    37 S   HC   _H29    38     1.10026   107.81026    51.63111
   39    37 S   HC   _H30    39     1.09734   109.70299   -63.12816
   40    33 S   CT   _C12    60     1.60611   113.29772   -57.94579
   41    40 S   OM   _O16    61     1.32756   110.98933   -36.74130
   42    40 S   HC   _H32    62     1.09846   103.34040    89.59107
   43    33 S   CT   _C18    71     1.54529   103.18154   179.61134
   44    43 S   HC   _H38    72     1.09628   111.73599    64.86312
   45    43 S   HC   _H39    73     1.09722   111.68191   -55.80747
   46    43 S   HC   _H40    74     1.09360   112.27084  -174.68669
   47    37 S   CT   _C8_    40     1.53933   119.90415   171.95782
   48    47 S   HC   _H25    41     1.09764   107.48485  -163.27393
   49    47 S   HC   _H26    42     1.09314   109.85100   -48.18208
   50    47 S   C3T  _C13    43     1.49712   113.30617    78.03761
   51    50 S   HC   _H33    44     1.08111   113.80717    16.25911
   52    50 S   C3T  _C15    45     1.52440   121.33446  -139.79054
   53    52 S   CT   _C9_    46     1.50433   116.55473   150.78029
   54    53 S   HC   _H27    47     1.09725   108.27020   145.94221
   55    53 S   HC   _H28    48     1.09726   110.90905    30.04152
   56    50 S   O3T  _O19    66     1.43481   116.91290   153.05668
   57    52 S   CT   _C17    67     1.50230   123.07635    -8.18290
   58    57 S   HC   _H35    68     1.09529   112.08258   -37.52610
   59    57 S   HC   _H36    69     1.09508   110.43675  -156.96062
   60    57 S   HC   _H37    70     1.09386   110.98643    83.15895
   61    53 S   CT   _C7_    49     1.53963   113.62665   -93.51865
   62    61 S   HC   _H23    50     1.09867   106.56678  -167.64067
   63    61 S   HC   _H24    51     1.09726   110.21924   -53.04050
   64    61 S   CT   _C11    52     1.54730   114.82835    72.36050
   65    64 S   HC   _H31    53     1.09595   109.02621    47.45755
   66    64 S   CM   _C4_    54     1.49215   110.21498   170.09631
   67    66 S   CO4  _C5_    55     1.47504   109.52231    99.62958
   68    67 S   O    _O17    56     1.21790   126.91457  -168.45095
   69    66 S   CM   _C6_    63     1.33573   128.19888   -82.73153
   70    69 S   HC   _H21    64     1.08475   120.71704     1.19567
   71    69 S   HC   _H22    65     1.08496   121.67540  -178.51958
   72    67 S   OS   _O18    57     1.36234   107.13425    10.15461
   73    64 S   CT   _C14    58     1.53945   113.94671   -78.29924
   74    73 S   HC   _H34    59     1.08406   109.60034    17.79511
  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
  18   2   1   1  17   7   6  15   6   5   5   2   1   1   8   5
   4  11   4  12  14   7   6   5   4   2   1   1  10   5   4  10
   6   8   7   3   4   1   1   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    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    73    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    50    64    72    73    74    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    52    73    40    41    42    56    43    44    45    46  
   39    47    48    49    50    40    43  
   47    48    49    50    40    43  
   41    42    43    44    45    46    47    61    64    65    66    67    72    73    74  
   42    43    64    72    73    74  
   43    64    72    73    74  
   44    45    46    47    73  
   45    46  
   46  
    0  
   48    49    50    51    52    53    56    57  
   49    50    51    52    56  
   50    51    52    56  
   51    52    53    54    55    61    56    57    58    59    60  
   52    53    56    57  
   53    54    55    61    62    63    64    56    57    58    59    60  
   54    55    61    62    63    64    65    66    73    56    57    58    59    60  
   55    61    62    63    64    56    57  
   61    62    63    64    56    57  
   57    58    59    60    61  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    65    66    67    72    73    74    69  
   63    64    65    66    73  
   64    65    66    73  
   65    66    67    68    72    73    74    69    70    71  
   66    67    72    73    74    69  
   67    68    72    73    74    69    70    71  
   68    72    73    74    69    70    71  
   72    73    69  
   70    71    72    73  
   71  
    0  
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   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    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   275.000  1.510
   50    51   340.000  1.088
   50    52   260.000  1.509
   50    56   335.000  1.432
   52    53   275.000  1.510
   52    56   335.000  1.432
   52    57   275.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   317.000  1.510
   64    73   268.000  1.529
   66    67   320.000  1.462
   66    69   549.000  1.340
   67    68   570.000  1.229
   67    72   214.000  1.327
   72    73   320.000  1.410
   73    74   340.000  1.090
   73    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   69    70   340.000  1.080
   69    71   340.000  1.080
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    73    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    37.50000  110.70000
   37    47    50    70.00000  112.37300
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    50    51    40.00000  115.04500
   47    50    52    60.00000  120.94000
   47    50    56    80.00000  116.47100
   49    47    48    33.00000  107.80000
   50    47    48    45.00000  109.38400
   50    47    49    45.00000  109.38400
   50    52    53    60.00000  120.94000
   50    52    56    15.00000   60.43100
   50    52    57    60.00000  120.94000
   50    56    52    15.00000   59.14900
   52    50    51    37.50000  117.20000
   52    53    54    45.00000  109.38400
   52    53    55    45.00000  109.38400
   52    53    61    70.00000  112.37300
   52    57    58    45.00000  109.38400
   52    57    59    45.00000  109.38400
   52    57    60    45.00000  109.38400
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    64    58.35000  112.70000
   55    53    54    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    55    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    70.00000  112.02700
   61    64    73    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    65.00000  116.34900
   64    66    69    70.00000  124.00000
   64    73    72    50.00000  109.50000
   64    73    74    37.50000  110.70000
   64    73    40    58.35000  112.70000
   66    64    65    35.00000  109.50000
   66    67    68    80.00000  123.72100
   66    67    72    90.00000  111.29400
   66    69    70    35.00000  120.00000
   66    69    71    35.00000  120.00000
   67    72    73    83.00000  116.90000
   72    67    68    83.00000  123.40000
   72    73    74    35.00000  109.50000
   72    73    40    50.00000  109.50000
   73    64    65    37.50000  110.70000
   73    64    66    70.00000  112.02700
   73    40    41    50.00000  109.50000
   73    40    42    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    73    74    37.50000  110.70000
   42    40    41    45.00000  125.66300
   69    66    67    65.00000  118.96000
   71    69    70    35.00000  117.00000
   56    50    51    50.00000  114.27700
   56    50    52    15.00000   60.43100
   56    52    53    80.00000  116.47100
   57    52    53    58.35000  112.70000
   57    52    56    80.00000  116.47100
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    73   0.44750  1.0 1.0
   29    33    40    73  -0.17800 -1.0 2.0
   29    33    40    73   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.15000  1.0 3.0
   33    37    47    50   0.47050  1.0 1.0
   33    37    47    50   0.03900 -1.0 2.0
   33    37    47    50   0.20100  1.0 3.0
   37    33    40    73   0.56750  1.0 1.0
   37    33    40    73  -0.07550 -1.0 2.0
   37    33    40    73   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    50    51   0.15000  1.0 3.0
   37    47    50    52   0.07850  1.0 1.0
   37    47    50    52  -0.03950 -1.0 2.0
   37    47    50    52   0.67350  1.0 3.0
   37    47    50    56   0.02550  1.0 1.0
   37    47    50    56  -0.02600 -1.0 2.0
   37    47    50    56   1.20400  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    50   0.15000  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    50   0.15000  1.0 3.0
   47    50    52    53   0.56750  1.0 1.0
   47    50    52    53  -0.07550 -1.0 2.0
   47    50    52    53   0.20000  1.0 3.0
   47    50   -52    56   0.02550  1.0 1.0
   47    50   -52    56  -0.02600 -1.0 2.0
   47    50   -52    56   1.20400  1.0 3.0
   47    50    52    57   0.56750  1.0 1.0
   47    50    52    57  -0.07550 -1.0 2.0
   47    50    52    57   0.20000  1.0 3.0
   47    50   -56    52   0.06250  1.0 1.0
   47    50   -56    52  -0.01100 -1.0 2.0
   47    50   -56    52   0.28050  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    56   0.23400  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    56   0.23400  1.0 3.0
   50    52    53    54   0.15000  1.0 3.0
   50    52    53    55   0.15000  1.0 3.0
   50    52    53    61   0.07850  1.0 1.0
   50    52    53    61  -0.03950 -1.0 2.0
   50    52    53    61   0.67350  1.0 3.0
   50    52    57    58   0.15000  1.0 3.0
   50    52    57    59   0.15000  1.0 3.0
   50    52    57    60   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50   -52    56   0.23400  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50   -56    52   0.36800  1.0 3.0
   52    53    61    62   0.15000  1.0 3.0
   52    53    61    63   0.15000  1.0 3.0
   52    53    61    64   0.47050  1.0 1.0
   52    53    61    64   0.03900 -1.0 2.0
   52    53    61    64   0.20100  1.0 3.0
   53    52   -56    50   0.06250  1.0 1.0
   53    52   -56    50  -0.01100 -1.0 2.0
   53    52   -56    50   0.28050  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    60   0.15000  1.0 3.0
   53    61    64    65   0.15000  1.0 3.0
   53    61    64    66   0.34400  1.0 1.0
   53    61    64    66   0.09450 -1.0 2.0
   53    61    64    66   0.11100  1.0 3.0
   53    61    64    73   0.56750  1.0 1.0
   53    61    64    73  -0.07550 -1.0 2.0
   53    61    64    73   0.20000  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    64   0.15000  1.0 3.0
   55    53    61    62   0.15000  1.0 3.0
   55    53    61    63   0.15000  1.0 3.0
   55    53    61    64   0.15000  1.0 3.0
   61    64    66    67   0.09700  1.0 1.0
   61    64    66    67   0.15600 -1.0 2.0
   61    64    66    67  -0.50800  1.0 3.0
   61    64    66    69   0.09850  1.0 1.0
   61    64    66    69   0.15250 -1.0 2.0
   61    64    66    69  -0.50650  1.0 3.0
   61    64    73    72   0.62750  1.0 1.0
   61    64    73    72  -0.30950 -1.0 2.0
   61    64    73    72   0.27300  1.0 3.0
   61    64    73    74   0.15000  1.0 3.0
   61    64    73    40   0.56750  1.0 1.0
   61    64    73    40  -0.07550 -1.0 2.0
   61    64    73    40   0.20000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    73   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    73   0.15000  1.0 3.0
   64    66    67    68  -0.64400  1.0 1.0
   64    66    67    68   0.26850 -1.0 2.0
   64    66   -67    72  -0.15000  1.0 1.0
   64    66   -67    72   0.89550 -1.0 2.0
   64    66   -67    72  -0.06900  1.0 3.0
   64    66    69    70   7.00000 -1.0 2.0
   64    66    69    71   7.00000 -1.0 2.0
   64    73    40    33   0.56750  1.0 1.0
   64    73    40    33  -0.07550 -1.0 2.0
   64    73    40    33   0.20000  1.0 3.0
   64    73    40    41   0.62750  1.0 1.0
   64    73    40    41  -0.30950 -1.0 2.0
   64    73    40    41   0.27300  1.0 3.0
   64    73    40    42   0.15000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    69   0.00000  1.0 1.0
   65    64    73    72   0.23400  1.0 3.0
   65    64    73    74   0.15000  1.0 3.0
   65    64    73    40   0.15000  1.0 3.0
   66    64   -73    72   0.61850  1.0 1.0
   66    64   -73    72  -0.22750 -1.0 2.0
   66    64   -73    72   0.15300  1.0 3.0
   66    64    73    74   0.15000  1.0 3.0
   66    64    73    40   0.34400  1.0 1.0
   66    64    73    40   0.09450 -1.0 2.0
   66    64    73    40   0.11100  1.0 3.0
   66    67   -72    73   2.00000 -1.0 2.0
   67    66    69    70   7.00000 -1.0 2.0
   67    66    69    71   7.00000 -1.0 2.0
   67    72   -73    64  -0.25900  1.0 1.0
   67    72   -73    64  -0.47000 -1.0 2.0
   67    72   -73    64   0.11750  1.0 3.0
   67    72    73    74   0.08050  1.0 3.0
   67    72    73    40  -0.25900  1.0 1.0
   67    72    73    40  -0.47000 -1.0 2.0
   67    72    73    40   0.11750  1.0 3.0
   68    67    72    73   3.00000 -1.0 2.0
   72    73    40    33   0.62750  1.0 1.0
   72    73    40    33  -0.30950 -1.0 2.0
   72    73    40    33   0.27300  1.0 3.0
   72    73    40    41   1.11900  1.0 1.0
   72    73    40    41  -1.16350 -1.0 2.0
   72    73    40    41  -0.34150  1.0 3.0
   72    73    40    42   0.23400  1.0 3.0
   73    64   -66    67   0.09700  1.0 1.0
   73    64   -66    67   0.15600 -1.0 2.0
   73    64   -66    67  -0.50800  1.0 3.0
   73    64    66    69   0.09850  1.0 1.0
   73    64    66    69   0.15250 -1.0 2.0
   73    64    66    69  -0.50650  1.0 3.0
   74    73    40    33   0.15000  1.0 3.0
   74    73    40    41   0.23400  1.0 3.0
   74    73    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   69    66    67    68   1.00000 -1.0 2.0
   69    66    67    72  -0.56150  1.0 1.0
   69    66    67    72   2.19150 -1.0 2.0
   56    50   -52    53   0.02550  1.0 1.0
   56    50   -52    53  -0.02600 -1.0 2.0
   56    50   -52    53   1.20400  1.0 3.0
   56    50   -52    57   0.02550  1.0 1.0
   56    50   -52    57  -0.02600 -1.0 2.0
   56    50   -52    57   1.20400  1.0 3.0
   56    52    53    54   0.23400  1.0 3.0
   56    52    53    55   0.23400  1.0 3.0
   56    52    53    61   0.02550  1.0 1.0
   56    52    53    61  -0.02600 -1.0 2.0
   56    52    53    61   1.20400  1.0 3.0
   56    52    57    58   0.23400  1.0 3.0
   56    52    57    59   0.23400  1.0 3.0
   56    52    57    60   0.23400  1.0 3.0
   57    52    53    54   0.15000  1.0 3.0
   57    52    53    55   0.15000  1.0 3.0
   57    52    53    61   0.56750  1.0 1.0
   57    52    53    61  -0.07550 -1.0 2.0
   57    52    53    61   0.20000  1.0 3.0
   57    52   -56    50   0.06250  1.0 1.0
   57    52   -56    50  -0.01100 -1.0 2.0
   57    52   -56    50   0.28050  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    73   0.56750  1.0 1.0
   43    33    40    73  -0.07550 -1.0 2.0
   43    33    40    73   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  1.0 3.0
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
   64    67    66    69   1.10000 -1.0 2.0
   66    72    67    68  10.50000 -1.0 2.0
   70    71    69    66   1.10000 -1.0 2.0
END
