* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    141    225     411
    1     0 S   NP   _N1_     1    28.88025    95.47674   -24.32621
    2     1 S   H    _HN1     2     1.02949    80.43979     4.15049
    3     1 S   H    _H1_     3     1.02828    27.92300   166.69319
    4     1 S   H    _H2_     4     1.02785   109.68163  -102.05434
    5     1 S   CT   _CA1     5     1.50119   129.83353   112.79458
    6     5 S   HC   _HA1     6     1.09574   105.18548    83.08419
    7     5 S   CO3  _C1_     7     1.53777   112.45897   -37.12541
    8     7 S   O2Z  _O11     8     1.26370   115.00147   -42.65670
    9     7 S   O2Z  _O12     9     1.26240   114.94157   136.43386
   10     5 S   CT   _CB1    10     1.53075   107.41548  -158.96166
   11    10 S   HC   HB11    11     1.09834   109.33055   -49.89946
   12    10 S   HC   HB12    12     1.09812   110.46671    66.69728
   13    10 S   CT   _CG1    13     1.52995   112.62087  -170.88501
   14    13 S   HC   HG11    14     1.09582   110.63088   -66.27975
   15    13 S   HC   HG12    15     1.09672   109.77785    52.95217
   16    13 S   C    _CD1    16     1.51808   112.20502   173.37386
   17    16 S   O    _OE1    17     1.22736   123.26538     7.34051
   18    16 S   N    _N2_    18     1.38648   111.67969  -172.62480
   19    18 S   H    _HN2    19     1.01570   118.95644     1.44942
   20    18 S   CT1  _CA2    20     1.46249   123.44204   177.33501
   21    20 S   HC   _HA2    21     1.09741   109.34178     4.46291
   22    20 S   C    _C2_    22     1.53633   108.56599  -110.97290
   23    22 S   O    _O2_    23     1.23060   122.33573  -147.75993
   24    20 S   CT   _CB2    32     1.53545   111.64331   126.48125
   25    24 S   HC   HB21    33     1.09488   109.39940    56.18558
   26    24 S   HC   HB22    34     1.09268   109.57370   175.00974
   27    22 S   N    _N3_    24     1.38351   113.74684    39.68732
   28    27 S   H    _HN3    25     1.01567   119.59123    -3.21522
   29    24 S   S    _SG2    35     1.82978   111.00274   -64.27358
   30    27 S   CT   _CA3    26     1.45285   123.22304   177.18151
   31    30 S   HC   HA31    27     1.09549   107.49838   -64.90906
   32    30 S   HC   HA32    28     1.09557   108.00172    51.53448
   33    29 S   CT   _C5_    36     1.88845   102.80669  -173.29138
   34    30 S   CO3  _C3_    29     1.52964   114.08000   173.53741
   35    34 S   O2Z  _O31    30     1.26378   116.07246    -0.78385
   36    34 S   O2Z  _O32    31     1.26432   114.40991   179.27964
   37    33 S   CT   _C7_    37     1.56927   107.34342  -165.88334
   38    37 S   HC   _H3_    38     1.10131   108.32126   172.94439
   39    33 S   CT   _C4_    69     1.54650   108.20085   -48.71320
   40    39 S   HC   _H4_    70     1.09518   111.92463    72.57698
   41    39 S   HC   _H5_    71     1.09646   111.06750  -168.51281
   42    39 S   HC   _H6_    72     1.09607   112.07388   -49.25269
   43    33 S   CT   _C6_    73     1.58375   108.18518    72.81933
   44    43 S   OM   _O33    74     1.32696   109.60239   176.81562
   45    43 S   HC   _H7_    75     1.10009   106.32928   -56.87466
   46    43 S   HC   _H8_    76     1.10259   106.01596    49.73409
   47    37 S   CT   _C8_    39     1.53942   116.46732   -65.33905
   48    47 S   HC   _H9_    40     1.09200   112.29019    32.14935
   49    47 S   HC   _H10    41     1.09310   110.37571   -91.14927
   50    37 S   OS   _O36    49     1.45186   111.05168    58.41550
   51    47 S   CA   _C9_    42     1.49076   100.55838   149.17578
   52    51 S   CA   _C14    43     1.40180   131.54519   165.37005
   53    52 S   CA   _C13    44     1.42133   115.85904  -177.26276
   54    52 S   NE   _N4_    64     1.41142   125.21202     0.99936
   55    53 S   CA   _C12    45     1.41443   121.62795    -3.98698
   56    53 S   CO4  _C21    52     1.48689   118.26077   175.22997
   57    56 S   O    _O34    53     1.22526   121.00161   170.87157
   58    54 S   CT   _C22    65     1.46335   119.77811    23.46437
   59    58 S   HC   _H16    66     1.09446   110.90203   -90.27190
   60    58 S   HC   _H17    67     1.09659   112.42525   148.46599
   61    58 S   HC   _H18    68     1.09404   111.71566    32.79551
   62    55 S   CA   _C11    46     1.38815   120.83059     2.02729
   63    62 S   HA   _H11    47     1.08445   121.44931   179.33677
   64    55 S   OH   _O35    50     1.36984   123.47290  -178.79813
   65    64 S   HO   _H19    51     0.97366   108.85664     2.67284
   66    56 S   CA   _C20    54     1.47621   118.96846   -10.50478
   67    51 S   CA   _C10    48     1.39638   107.24802   -14.76017
   68    66 S   CA   _C19    55     1.40195   119.37945  -168.38321
   69    68 S   HA   _H15    56     1.08677   121.15381    -0.31279
   70    68 S   CA   _C18    57     1.39088   119.80788   179.17197
   71    70 S   HA   _H14    58     1.08603   120.16486  -179.70392
   72    70 S   CA   _C17    59     1.39027   119.66242    -0.27766
   73    72 S   HA   _H13    60     1.08657   119.95593  -179.11751
   74    72 S   CA   _C16    61     1.39902   120.21381     0.59347
   75    74 S   HA   _H12    62     1.08707   117.30901  -178.47299
   76    66 S   CA   _C15    63     1.40352   118.84073    11.80707
  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
  16   2   1   1  17   8   9   3   2   1   5   2   1   1   9   5
   4   6  10  15  13  13   8   9   3   6   3   2   1   4   2   2
   1   8   1   7   4   6   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    50    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    51    67    50    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    51    52    62    67    50    39    40    41    42    43    44    45    46  
   47    48    49    51    67    50    39    43  
   40    41    42    43    44    45    46    47    50  
   41    42    43  
   42    43  
   43  
   44    45    46    47    50  
   45    46  
   46  
    0  
   48    49    51    52    53    62    67    50    54  
   49    51    52    67    50  
   51    52    67    50  
   51    52    55    62    63    67  
   52    53    55    62    63    67    56    76    54    58  
   53    55    62    67    64    56    57    66    74    76    54    58    59    60    61  
   55    62    63    67    64    65    56    57    66    68    76    54    58  
   58    59    60    61    55    56    66    67    68    72    74    75    76  
   62    63    67    64    65    56    57    66  
   57    66    68    69    70    74    76    62    64  
   66    68    76  
   59    60    61    66    74    76  
   60    61    76  
   61    76  
   76  
   63    67    64    65  
   67    64  
   65    67  
    0  
   68    69    70    71    72    74    75    76  
    0  
   69    70    71    72    73    74    76  
   70    71    72    76  
   71    72    73    74    75    76  
   72    73    74  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   45   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.005000   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
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    43   268.000  1.529
   37    38   340.000  1.090
   37    47   268.000  1.529
   37    50   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   317.000  1.510
   51    52   469.000  1.400
   51    67   469.000  1.400
   52    53   469.000  1.400
   52    54   481.000  1.340
   53    55   469.000  1.400
   53    56   310.000  1.470
   55    62   469.000  1.400
   55    64   450.000  1.364
   62    63   367.000  1.080
   62    67   469.000  1.400
   67    50   450.000  1.364
   64    65   553.000  0.945
   56    57   570.000  1.229
   56    66   310.000  1.470
   66    68   469.000  1.400
   66    76   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    54   481.000  1.340
   54    58   382.000  1.448
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   570.000  1.307
   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    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    37    50    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    50.00000  109.50000
   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    51    70.00000  112.17500
   37    50    67    75.00000  111.00000
   47    37    38    37.50000  110.70000
   47    51    52    70.00000  120.00000
   47    51    67    70.00000  120.00000
   49    47    48    33.00000  107.80000
   51    47    48    35.00000  109.50000
   51    47    49    35.00000  109.50000
   51    52    53    63.00000  120.00000
   51    52    54    70.00000  120.10000
   51    67    62    63.00000  120.00000
   51    67    50    70.00000  120.00000
   52    53    55    63.00000  120.00000
   52    53    56    60.00000  119.52600
   52    54    76    50.00000  129.00000
   52    54    58    50.00000  120.00000
   53    55    62    63.00000  120.00000
   53    55    64    70.00000  120.00000
   53    56    57    75.00000  123.78400
   53    56    66    65.00000  116.00000
   55    62    63    35.00000  120.00000
   55    62    67    63.00000  120.00000
   55    64    65    35.00000  113.00000
   62    67    50    70.00000  120.00000
   67    51    52    63.00000  120.00000
   67    62    63    35.00000  120.00000
   50    37    38    35.00000  109.50000
   50    37    47    50.00000  109.50000
   64    55    62    70.00000  120.00000
   56    53    55    60.00000  119.52600
   56    66    68    60.00000  119.52600
   56    66    76    60.00000  119.52600
   66    56    57    75.00000  123.78400
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   66    76    74    63.00000  120.00000
   66    76    54    70.00000  120.10000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    54    70.00000  120.10000
   76    66    68    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    54    58    50.00000  120.00000
   54    52    53    70.00000  120.10000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    39    58.35000  112.70000
   45    43    44    45.00000  125.66300
   46    43    44    45.00000  125.66300
   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    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    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    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    37    50   0.56750  1.0 1.0
   29    33    37    50  -0.07550 -1.0 2.0
   29    33    37    50   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.56750  1.0 1.0
   29    33    43    44  -0.07550 -1.0 2.0
   29    33    43    44   0.20000  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    51  -0.03700  1.0 1.0
   33    37    47    51   0.37200 -1.0 2.0
   33    37    47    51  -0.47300  1.0 3.0
   33    37    50    67  -0.32850  1.0 1.0
   33    37    50    67  -0.35800 -1.0 2.0
   33    37    50    67   0.33950  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.62750  1.0 1.0
   37    33    43    44  -0.30950 -1.0 2.0
   37    33    43    44   0.27300  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    51    52   0.04150 -1.0 2.0
   37    47   -51    67   0.04150 -1.0 2.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    51   0.43200  1.0 3.0
   38    37    50    67   0.08050  1.0 3.0
   47    37   -50    67  -0.32850  1.0 1.0
   47    37   -50    67  -0.35800 -1.0 2.0
   47    37   -50    67   0.33950  1.0 3.0
   47    51    52    53   3.62500 -1.0 2.0
   47    51    52    54   3.62500 -1.0 2.0
   47    51    67    62   3.62500 -1.0 2.0
   47    51   -67    50   3.62500 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    67   0.00000  1.0 1.0
   49    47    51    52   0.00000  1.0 1.0
   49    47    51    67   0.00000  1.0 1.0
   51    52    53    55   3.62500 -1.0 2.0
   51    52    53    56   3.62500 -1.0 2.0
   51    52    54    76   0.17750 -1.0 2.0
   51    52    54    58  -1.00000  1.0 1.0
   51    52    54    58   1.25000 -1.0 2.0
   51    67   -50    37   1.63200 -1.0 2.0
   52    51    67    62   3.62500 -1.0 2.0
   52    51    67    50   3.62500 -1.0 2.0
   52    53   -55    62   3.62500 -1.0 2.0
   52    53    55    64   3.62500 -1.0 2.0
   52    53    56    57   1.05000 -1.0 2.0
   52    53    56    66   0.56600 -1.0 2.0
   52    54    58    59   0.00000  1.0 1.0
   52    54    58    60   0.00000  1.0 1.0
   52    54    58    61   0.00000  1.0 1.0
   53    52    54    76   0.17750 -1.0 2.0
   53    52    54    58  -1.00000  1.0 1.0
   53    52    54    58   1.25000 -1.0 2.0
   53    55    62    63   3.62500 -1.0 2.0
   53    55    62    67   3.62500 -1.0 2.0
   53    55    64    65   0.84100 -1.0 2.0
   53    56    66    68   0.56600 -1.0 2.0
   53    56   -66    76   0.56600 -1.0 2.0
   55    53    56    57   1.05000 -1.0 2.0
   55    53    56    66   0.56600 -1.0 2.0
   55    62   -67    51   3.62500 -1.0 2.0
   55    62    67    50   3.62500 -1.0 2.0
   62    55    64    65   0.84100 -1.0 2.0
   62    67    50    37   1.63200 -1.0 2.0
   63    62    67    51   3.62500 -1.0 2.0
   63    62    67    50   3.62500 -1.0 2.0
   67    51   -52    53   3.62500 -1.0 2.0
   67    51    52    54   3.62500 -1.0 2.0
   50    37    47    48   0.23400  1.0 3.0
   50    37    47    49   0.23400  1.0 3.0
   50    37   -47    51  -0.64350  1.0 1.0
   50    37   -47    51  -0.04200 -1.0 2.0
   50    37   -47    51   0.19800  1.0 3.0
   64    55    62    63   3.62500 -1.0 2.0
   64    55    62    67   3.62500 -1.0 2.0
   56    53    55    62   3.62500 -1.0 2.0
   56    53    55    64   3.62500 -1.0 2.0
   56    66    68    69   3.62500 -1.0 2.0
   56    66    68    70   3.62500 -1.0 2.0
   56    66    76    74   3.62500 -1.0 2.0
   56    66    76    54   3.62500 -1.0 2.0
   57    56    66    68   1.05000 -1.0 2.0
   57    56    66    76   1.05000 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68    70    72   3.62500 -1.0 2.0
   66    76   -54    52   0.17750 -1.0 2.0
   66    76    54    58  -1.00000  1.0 1.0
   66    76    54    58   1.25000 -1.0 2.0
   68    66    76    74   3.62500 -1.0 2.0
   68    66    76    54   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70   -72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   70    72    74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74   -76    66   3.62500 -1.0 2.0
   72    74    76    54   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    54    52   0.17750 -1.0 2.0
   74    76    54    58  -1.00000  1.0 1.0
   74    76    54    58   1.25000 -1.0 2.0
   75    74    76    66   3.62500 -1.0 2.0
   75    74    76    54   3.62500 -1.0 2.0
   76    66    68    69   3.62500 -1.0 2.0
   76    66   -68    70   3.62500 -1.0 2.0
   76    54    58    59   0.00000  1.0 1.0
   76    54    58    60   0.00000  1.0 1.0
   76    54    58    61   0.00000  1.0 1.0
   54    52    53    55   3.62500 -1.0 2.0
   54    52   -53    56   3.62500 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    47   0.56750  1.0 1.0
   39    33    37    47  -0.07550 -1.0 2.0
   39    33    37    47   0.20000  1.0 3.0
   39    33    37    50   0.62750  1.0 1.0
   39    33    37    50  -0.30950 -1.0 2.0
   39    33    37    50   0.27300  1.0 3.0
   39    33    43    44   0.62750  1.0 1.0
   39    33    43    44  -0.30950 -1.0 2.0
   39    33    43    44   0.27300  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   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    37    50   0.62750  1.0 1.0
   43    33    37    50  -0.30950 -1.0 2.0
   43    33    37    50   0.27300  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  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
   52    67    51    47   4.00000 -1.0 2.0
   53    54    52    51   4.00000 -1.0 2.0
   55    56    53    52   4.00000 -1.0 2.0
   62    64    55    53   4.00000 -1.0 2.0
   67    63    62    55   1.10000 -1.0 2.0
   62    50    67    51   4.00000 -1.0 2.0
   53    66    56    57  10.50000 -1.0 2.0
   68    76    66    56   4.00000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   74    54    76    66   4.00000 -1.0 2.0
   58    52    54    76   1.00000 -1.0 2.0
END
