* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    131    192     375
    1     0 S   NP   _N1_     1    29.53302    96.85411   -22.58091
    2     1 S   H    _HN1     2     1.02853    74.01891    25.83061
    3     1 S   H    _H1_     3     1.02949    42.69770   166.02234
    4     1 S   H    _H2_     4     1.02788    94.05095   -81.99552
    5     1 S   CT   _CA1     5     1.50485   148.78514   130.62141
    6     5 S   HC   _HA1     6     1.09702   104.64283    87.86232
    7     5 S   CO3  _C1_     7     1.54423   110.81397   -28.02774
    8     7 S   O2Z  _O11     8     1.26037   116.70603  -115.62172
    9     7 S   O2Z  _O12     9     1.26569   113.77770    62.96723
   10     5 S   CT   _CB1    10     1.53149   107.00887  -156.14292
   11    10 S   HC   HB11    11     1.09824   109.96871   -43.28770
   12    10 S   HC   HB12    12     1.09768   110.37141    73.53618
   13    10 S   CT   _CG1    13     1.52892   112.00810  -163.83617
   14    13 S   HC   HG11    14     1.09470   110.62154   -56.96481
   15    13 S   HC   HG12    15     1.09564   109.64443    62.09818
   16    13 S   C    _CD1    16     1.51669   112.60421  -178.12018
   17    16 S   O    _OE1    17     1.22724   123.27245   -10.27807
   18    16 S   N    _N2_    18     1.38591   111.52133   170.33084
   19    18 S   H    _HN2    19     1.01557   118.94983     1.66460
   20    18 S   CT1  _CA2    20     1.46020   123.63228  -178.52197
   21    20 S   HC   _HA2    21     1.09694   109.15059   -14.51824
   22    20 S   C    _C2_    22     1.53518   108.99608  -130.75896
   23    22 S   O    _O2_    23     1.23099   121.97983  -155.41919
   24    20 S   CT   _CB2    32     1.53611   111.72309   107.56772
   25    24 S   HC   HB21    33     1.09545   109.65546    60.65493
   26    24 S   HC   HB22    34     1.09529   110.18498   179.25612
   27    22 S   N    _N3_    24     1.38307   114.10500    31.34881
   28    27 S   H    _HN3    25     1.01642   119.52737    -3.37754
   29    24 S   S    _SG2    35     1.82385   112.47359   -60.11680
   30    27 S   CT   _CA3    26     1.45302   122.87411   178.00669
   31    30 S   HC   HA31    27     1.09557   107.41543   -65.35323
   32    30 S   HC   HA32    28     1.09569   107.97063    50.96864
   33    29 S   CT   _C18    36     1.83206    99.18401   178.86082
   34    33 S   F    F1__    37     1.36519   109.31245   -42.77308
   35    33 S   F    F2__    38     1.36670   107.81164    70.31314
   36    30 S   CO3  _C3_    29     1.52865   114.43922   172.89483
   37    36 S   O2Z  _O31    30     1.26352   116.17083    -4.01683
   38    36 S   O2Z  _O32    31     1.26430   114.41707   176.15285
   39    33 S   CA   _C17    39     1.51541   110.05954  -166.84600
   40    39 S   CA   _C16    40     1.40554   119.05204   -95.22640
   41    40 S   HA   _H19    41     1.08773   120.37516    -1.10003
   42    40 S   CA   _C15    42     1.39335   120.77235   178.57234
   43    42 S   HA   _H18    43     1.08615   120.05601   179.97202
   44    42 S   CA   _C14    44     1.39070   119.84838    -0.27196
   45    44 S   HA   _H17    45     1.08651   119.92475  -179.81337
   46    44 S   CA   _C13    46     1.39613   120.21196     0.05595
   47    46 S   HA   _H16    47     1.08550   117.60905  -179.79633
   48    39 S   CA   _C12    48     1.41121   121.80517    83.00607
   49    48 S   OS   _O34    49     1.37068   115.99465     1.68272
   50    49 S   CT   _C11    50     1.42627   118.13497  -176.55264
   51    50 S   HC   _H14    51     1.09645   110.17469    62.08905
   52    50 S   HC   _H15    52     1.09630   110.14602   -59.28808
   53    50 S   CT   _C10    53     1.52618   108.63215  -177.60804
   54    53 S   HC   _H12    54     1.09747   109.65557    59.76310
   55    53 S   HC   _H13    55     1.09654   109.78703   176.29578
   56    53 S   CT   _C9_    56     1.52737   112.89335   -61.17555
   57    56 S   HC   _H10    57     1.09641   110.08744    60.39555
   58    56 S   HC   _H11    58     1.09630   109.75106   -59.48088
   59    56 S   OS   _O33    59     1.43663   107.52737  -179.28072
   60    59 S   CA   _C6_    60     1.36588   110.59216  -179.09821
   61    60 S   CA   _C5_    61     1.38560   120.93836   -97.35429
   62    61 S   NB   _N5_    62     1.35131   121.86262  -179.67314
   63    61 S   CT   _C4_    72     1.49877   121.55858    -0.07402
   64    63 S   HC   _H3_    73     1.09349   110.70114    61.49921
   65    63 S   HC   _H4_    74     1.09498   110.80392  -178.83299
   66    63 S   HC   _H5_    75     1.09447   110.25330   -59.43903
   67    62 S   CQ   _C8_    63     1.34850   117.51268     0.49416
   68    67 S   NB   _N4_    64     1.34985   123.78596     1.43053
   69    67 S   NE   _N6_    69     1.38085   118.09244  -177.48503
   70    69 S   H    _H6_    70     1.00880   119.77378     0.41684
   71    69 S   H    _H7_    71     1.01384   119.40835   174.44028
   72    60 S   CA   _C7_    65     1.38751   121.57042    86.83850
   73    72 S   NE   _N7_    66     1.39035   120.79132    -2.58490
   74    73 S   H    _H8_    67     1.01214   118.48963    28.50985
   75    73 S   H    _H9_    68     1.01226   117.10156  -179.86438
  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   6   5   4   3
   9   4   3   2   1   1  10   8   4   6   3   5   3   4   2   5
   7   9   5   4   7   5   4   6   3   2   7  12  10  10   5   2
   1   1   6   7   3   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    48    49    50  
   41    42    43    44    45    46    48    49  
   42    43    44    48  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49  
   46    47    48  
   47    48    49    50  
   48    49  
   49    50    51    52    53  
   50    51    52    53    54    55    56  
   51    52    53    54    55    56    57    58    59  
   52    53    54    55    56  
   53    54    55    56  
   54    55    56    57    58    59    60  
   55    56    57    58    59  
   56    57    58    59  
   57    58    59    60    61    72  
   58    59    60  
   59    60  
   60    61    62    68    72    73    63  
   61    62    67    68    72    73    74    75    63    64    65    66  
   62    67    68    72    73    69    63    64    65    66  
   67    68    72    69    70    71    63    64    65    66  
   64    65    66    67    72  
   65    66  
   66  
    0  
   68    72    73    69    70    71  
   72    73    74    75    69    70    71  
   70    71    72  
   71  
    0  
   73    74    75  
   74    75  
   75  
    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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0700  -0.392000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.549000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   63   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5500   0.0700   1.042000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   69   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   70   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700   0.864000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   74   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   75   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    34   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    48   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   450.000  1.364
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   320.000  1.410
   59    60   450.000  1.364
   60    61   469.000  1.400
   60    72   469.000  1.400
   61    62   483.000  1.339
   61    63   317.000  1.510
   62    67   502.000  1.324
   67    68   502.000  1.324
   67    69   410.000  1.375
   68    72   483.000  1.339
   72    73   481.000  1.340
   73    74   434.000  1.010
   73    75   434.000  1.010
   69    70   434.000  1.010
   69    71   434.000  1.010
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    34    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    48    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    48    46    63.00000  120.00000
   39    48    49    70.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    35.00000  120.00000
   42    44    46    63.00000  120.00000
   44    42    43    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  120.00000
   48    39    40    63.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    50    75.00000  111.00000
   49    50    51    35.00000  109.50000
   49    50    52    35.00000  109.50000
   49    50    53    50.00000  109.50000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    50.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    75.00000  111.00000
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    60    61    70.00000  120.00000
   59    60    72    70.00000  120.00000
   60    61    62    70.00000  124.00000
   60    61    63    70.00000  120.00000
   60    72    68    70.00000  124.00000
   60    72    73    70.00000  120.10000
   61    62    67    70.00000  118.60000
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    66    35.00000  109.50000
   62    67    68    70.00000  129.10000
   62    67    69    85.00000  116.09700
   67    68    72    70.00000  118.60000
   67    69    70    50.00000  113.31100
   67    69    71    50.00000  113.31100
   68    72    73    80.00000  117.25000
   72    60    61    63.00000  120.00000
   72    73    74    35.00000  113.50000
   72    73    75    35.00000  113.50000
   75    73    74    35.00000  109.00000
   69    67    68    85.00000  116.09700
   71    69    70    35.00000  109.00000
   63    61    62    75.00000  115.74700
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    48  -0.16000  1.0 1.0
   29    33    39    48  -0.03200 -1.0 2.0
   29    33    39    48   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    48    46   3.62500 -1.0 2.0
   33    39    48    49   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   39    48    49    50   1.63200 -1.0 2.0
   40    39    48    46   3.62500 -1.0 2.0
   40    39    48    49   3.62500 -1.0 2.0
   40    42    44    45   3.62500 -1.0 2.0
   40    42   -44    46   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    46    47   3.62500 -1.0 2.0
   42    44    46    48   3.62500 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    46   -48    39   3.62500 -1.0 2.0
   44    46    48    49   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   1.63200 -1.0 2.0
   47    46    48    39   3.62500 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   48    39    40    41   3.62500 -1.0 2.0
   48    39   -40    42   3.62500 -1.0 2.0
   48    49    50    51   0.08050  1.0 3.0
   48    49    50    52   0.08050  1.0 3.0
   48    49    50    53  -0.32850  1.0 1.0
   48    49    50    53  -0.35800 -1.0 2.0
   48    49    50    53   0.33950  1.0 3.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.23400  1.0 3.0
   49    50    53    56   0.62750  1.0 1.0
   49    50    53    56  -0.30950 -1.0 2.0
   49    50    53    56   0.27300  1.0 3.0
   50    53    56    57   0.15000  1.0 3.0
   50    53    56    58   0.15000  1.0 3.0
   50    53    56    59   0.62750  1.0 1.0
   50    53    56    59  -0.30950 -1.0 2.0
   50    53    56    59   0.27300  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    56   0.15000  1.0 3.0
   53    56    59    60  -0.32850  1.0 1.0
   53    56    59    60  -0.35800 -1.0 2.0
   53    56    59    60   0.33950  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.23400  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.23400  1.0 3.0
   56    59    60    61   1.63200 -1.0 2.0
   56    59    60    72   1.63200 -1.0 2.0
   57    56    59    60   0.08050  1.0 3.0
   58    56    59    60   0.08050  1.0 3.0
   59    60    61    62   3.62500 -1.0 2.0
   59    60    61    63   3.62500 -1.0 2.0
   59    60    72    68   3.62500 -1.0 2.0
   59    60    72    73   3.62500 -1.0 2.0
   60    61    62    67   3.62500 -1.0 2.0
   60    61    63    64   0.00000  1.0 1.0
   60    61    63    65   0.00000  1.0 1.0
   60    61    63    66   0.00000  1.0 1.0
   60    72    73    74   1.00000 -1.0 2.0
   60    72    73    75   1.00000 -1.0 2.0
   61    60    72    68   3.62500 -1.0 2.0
   61    60    72    73   3.62500 -1.0 2.0
   61    62   -67    68   3.62500 -1.0 2.0
   61    62    67    69   3.62500 -1.0 2.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    66   0.00000  1.0 1.0
   62    67    68    72   3.62500 -1.0 2.0
   62    67    69    70   1.75000 -1.0 2.0
   62    67    69    71   1.75000 -1.0 2.0
   67    68   -72    60   3.62500 -1.0 2.0
   67    68    72    73   3.62500 -1.0 2.0
   68    67    69    70   1.75000 -1.0 2.0
   68    67    69    71   1.75000 -1.0 2.0
   68    72    73    74   1.75000 -1.0 2.0
   68    72    73    75   1.75000 -1.0 2.0
   72    60   -61    62   3.62500 -1.0 2.0
   72    60    61    63   3.62500 -1.0 2.0
   69    67    68    72   3.62500 -1.0 2.0
   63    61    62    67   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   40    48    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   46    49    48    39   4.00000 -1.0 2.0
   61    72    60    59   4.00000 -1.0 2.0
   63    62    61    60   4.00000 -1.0 2.0
   68    69    67    62   4.00000 -1.0 2.0
   68    73    72    60   4.00000 -1.0 2.0
   75    72    73    74   1.00000 -1.0 2.0
   71    67    69    70   1.00000 -1.0 2.0
END
