* LIGAND DATABASE FILE (OPLS2005)
*
001      73    77    149    239     425
    1     0 S   NP   _N1_     1    29.29093    93.18963   -23.46727
    2     1 S   H    _HN1     2     1.02967    93.86863    15.98912
    3     1 S   H    _H1_     3     1.02838    17.56776   155.41702
    4     1 S   H    _H2_     4     1.02780   102.22804   -93.69659
    5     1 S   CT   _CA1     5     1.50114   127.44247   135.46127
    6     5 S   HC   _HA1     6     1.09575   105.26080    65.53829
    7     5 S   CO3  _C1_     7     1.53775   112.35743   -54.69413
    8     7 S   O2Z  _O11     8     1.26348   115.00580   -45.03707
    9     7 S   O2Z  _O12     9     1.26236   114.90860   134.19824
   10     5 S   CT   _CB1    10     1.53080   107.41418  -176.58683
   11    10 S   HC   HB11    11     1.09824   109.28664   -51.37006
   12    10 S   HC   HB12    12     1.09837   110.43351    65.12007
   13    10 S   CT   _CG1    13     1.53042   112.72663  -172.53647
   14    13 S   HC   HG11    14     1.09592   110.38064   -62.86413
   15    13 S   HC   HG12    15     1.09632   110.13278    56.44065
   16    13 S   C    _CD1    16     1.51739   112.10791   176.65262
   17    16 S   O    _OE1    17     1.22727   123.16979    -7.61182
   18    16 S   N    _N2_    18     1.38610   111.86869   172.84525
   19    18 S   H    _HN2    19     1.01587   119.12465     2.67584
   20    18 S   CT1  _CA2    20     1.46049   123.20798  -178.92936
   21    20 S   HC   _HA2    21     1.09504   109.21860    -1.08894
   22    20 S   C    _C2_    22     1.53501   109.16415  -116.26390
   23    22 S   O    _O2_    23     1.23051   121.98256  -147.92876
   24    20 S   CT   _CB2    32     1.53421   111.70626   121.08906
   25    24 S   HC   HB21    33     1.09680   109.31802    64.62604
   26    24 S   HC   HB22    34     1.09477   110.76532  -178.75259
   27    22 S   N    _N3_    24     1.38419   113.66385    39.54303
   28    27 S   H    _HN3    25     1.01484   119.00998    -0.62870
   29    24 S   S    _SG2    35     1.83296   115.19429   -54.54983
   30    27 S   CT   _CA3    26     1.45472   123.56812   175.01599
   31    30 S   HC   HA31    27     1.09516   109.36350    21.38825
   32    30 S   HC   HA32    28     1.09498   107.06271   138.44322
   33    29 S   CT   _C15    36     1.85474   101.09262   -65.95995
   34    33 S   HC   _H3_    37     1.07962   104.77492    53.22030
   35    30 S   CO3  _C3_    29     1.52942   113.15152  -102.16700
   36    35 S   O2Z  _O31    30     1.26403   115.45896   -41.66418
   37    35 S   O2Z  _O32    31     1.26366   114.93117   139.28781
   38    33 S   CT   _C7_    38     1.52312   110.79545   -71.94912
   39    38 S   HC   _H25    39     1.09771   110.55879    12.26723
   40    38 S   CO4  _C4_    40     1.50955   102.84906   -99.18670
   41    40 S   O    _O16    41     1.22198   125.45762   177.66359
   42    38 S   C3T  _C11    62     1.50809   119.63764   134.83669
   43    42 S   HC   _H29    63     1.08697   110.38508   173.32903
   44    40 S   OS   _O18    42     1.36568   110.55896    -0.63242
   45    71 S   O3T  _O20    64     1.43122   116.02565   161.56466
   46    33 S   CT   _C12    43     1.53336   107.81586   173.54813
   47    46 S   HC   _H30    44     1.09696   112.36114   -25.56724
   48    46 S   CT   _C9_    45     1.55213   116.70060  -152.35318
   49    48 S   HC   _H27    46     1.09082   105.78922   -65.09121
   50    48 S   CT   _C8_    47     1.53420   110.95275   176.45558
   51    50 S   HC   _H26    48     1.09537   111.56403    12.98086
   52    50 S   CO4  _C5_    49     1.50291   103.61432  -103.54992
   53    52 S   O    _O17    50     1.22191   125.21307   169.54925
   54    50 S   CT   _C17    70     1.52220   113.36348   137.36067
   55    54 S   HC   _H34    71     1.09433   112.06100    60.06426
   56    54 S   HC   _H35    72     1.09473   110.76414   -61.05173
   57    54 S   HC   _H36    73     1.09557   110.52423   179.38770
   58    52 S   OS   _O19    51     1.36081   110.65594   -11.75220
   59    48 S   CT   _C10    52     1.53003   114.21056    59.59881
   60    59 S   HC   _H28    53     1.09131   111.62355   -15.34286
   61    59 S   CT   _C6_    54     1.54442   115.09658  -139.84417
   62    61 S   HC   _H23    55     1.09792   108.55167   170.42012
   63    61 S   HC   _H24    56     1.09669   109.97974   -75.65269
   64    61 S   C3T  _C16    57     1.50532   112.68659    47.89244
   65    64 S   C3T  _C14    58     1.52618   115.95813    50.63223
   66    65 S   HC   _H32    59     1.08341   119.24958    10.28777
   67    64 S   CT   _C18    66     1.50298   117.22978  -107.92018
   68    67 S   HC   _H37    67     1.09497   112.12360  -173.26533
   69    67 S   HC   _H38    68     1.09221   111.79209    65.82495
   70    67 S   HC   _H39    69     1.09529   110.03496   -54.04884
   71    65 S   C3T  _C13    60     1.50728   121.02249  -143.61215
   72    71 S   HC   _H31    61     1.08830   114.30072   -60.44203
   73    64 S   O3T  _O21    65     1.43413   117.86540   116.31004
  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  10   5   4   3
  16   8   2   1   1  13   8   9   3  10   4   6   6  11   4  16
   8  11   8   9   3   5   2   1   1   6   8   4  11   5   4   9
   8   4   5   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47    48    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    46    47    48    49    50    59    71    42    43    45  
   38    39    40    44    46    47    48    42  
   36    37  
   37  
    0  
   39    40    41    44    46    47    48    65    71    72    42    43    45  
   40    41    44    46    71    42    43    45  
   41    44    46    47    48    71    42    43    45  
   44    46    42  
   43    45    73    44    46    64    65    66    71    72  
   45    65    71    72  
   46    47    48    49    50    59  
   73    64    65    66    71    72  
   47    48    49    50    51    52    58    59    60    61    54  
   48    49    50    59  
   49    50    51    52    53    58    59    60    61    62    63    64    54    55    56    57  
   50    51    52    58    59    60    61    54  
   51    52    53    58    59    60    61    54    55    56    57  
   52    53    58    59    54    55    56    57  
   53    58    59    60    61    54    55    56    57  
   58    59    54  
   55    56    57    58    59  
   56    57  
   57  
    0  
   59    60    61    62    63    64  
   60    61    62    63    64    65    73    67  
   61    62    63    64  
   62    63    64    65    66    71    73    67    68    69    70  
   63    64    65    73    67  
   64    65    73    67  
   65    66    71    72    73    67    68    69    70  
   66    71    72    73    67    68    69    70  
   71    72    73    67  
   68    69    70    71    73  
   69    70    73  
   70    73  
   73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   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   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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   340.000  1.090
   33    38   268.000  1.529
   33    46   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   275.000  1.510
   40    41   570.000  1.229
   40    44   214.000  1.327
   44    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    59   268.000  1.529
   50    51   340.000  1.090
   50    52   317.000  1.522
   50    54   268.000  1.529
   52    53   570.000  1.229
   52    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   275.000  1.510
   64    65   260.000  1.509
   64    73   335.000  1.432
   64    67   275.000  1.510
   65    66   340.000  1.088
   65    71   260.000  1.509
   65    73   335.000  1.432
   71    72   340.000  1.088
   71    42   260.000  1.509
   71    45   335.000  1.432
   42    43   340.000  1.088
   42    45   335.000  1.432
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    70.00000  112.37300
   33    46    44    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    44    81.00000  111.40000
   38    42    71    60.00000  120.94000
   38    42    43    40.00000  115.04500
   38    42    45    80.00000  116.47100
   40    38    39    35.00000  109.50000
   40    44    46    83.00000  116.90000
   44    40    41    83.00000  123.40000
   44    46    47    35.00000  109.50000
   44    46    48    50.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    48    49    37.50000  110.70000
   46    48    50    58.35000  112.70000
   46    48    59    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    50    51    37.50000  110.70000
   48    50    52    63.00000  111.10000
   48    50    54    58.35000  112.70000
   48    59    58    50.00000  109.50000
   48    59    60    37.50000  110.70000
   48    59    61    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    52    53    80.00000  120.40000
   50    52    58    81.00000  111.40000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   52    50    51    35.00000  109.50000
   52    58    59    83.00000  116.90000
   58    52    53    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   59    48    49    37.50000  110.70000
   59    48    50    58.35000  112.70000
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    64    70.00000  112.37300
   61    59    60    37.50000  110.70000
   61    64    65    60.00000  120.94000
   61    64    73    80.00000  116.47100
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    45.00000  109.38400
   64    61    63    45.00000  109.38400
   64    65    66    37.50000  117.20000
   64    65    71    60.00000  120.94000
   64    65    73    15.00000   60.43100
   64    73    65    15.00000   59.14900
   64    67    68    45.00000  109.38400
   64    67    69    45.00000  109.38400
   64    67    70    45.00000  109.38400
   65    71    72    37.50000  117.20000
   65    71    42    60.00000  120.94000
   65    71    45    80.00000  116.47100
   71    65    66    37.50000  117.20000
   71    42    43    37.50000  117.20000
   71    42    45    15.00000   60.43100
   71    45    42    15.00000   59.14900
   42    38    39    45.00000  109.38400
   42    38    40    63.00000  111.10000
   42    71    72    37.50000  117.20000
   45    71    72    50.00000  114.27700
   45    71    42    15.00000   60.43100
   45    42    43    50.00000  114.27700
   73    64    65    15.00000   60.43100
   73    65    66    50.00000  114.27700
   73    65    71    80.00000  116.47100
   67    64    65    60.00000  120.94000
   67    64    73    80.00000  116.47100
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    63.00000  111.10000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    46    44   0.56750  1.0 1.0
   29    33    46    44  -0.07550 -1.0 2.0
   29    33    46    44   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38   -40    44   0.36750  1.0 3.0
   33    38    42    71   0.07850  1.0 1.0
   33    38    42    71  -0.03950 -1.0 2.0
   33    38    42    71   0.67350  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    45   0.02550  1.0 1.0
   33    38    42    45  -0.02600 -1.0 2.0
   33    38    42    45   1.20400  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.56750  1.0 1.0
   33    46    48    50  -0.07550 -1.0 2.0
   33    46    48    50   0.20000  1.0 3.0
   33    46    48    59   0.56750  1.0 1.0
   33    46    48    59  -0.07550 -1.0 2.0
   33    46    48    59   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    46    44   0.23400  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33   -46    44   0.62750  1.0 1.0
   38    33   -46    44  -0.30950 -1.0 2.0
   38    33   -46    44   0.27300  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.56750  1.0 1.0
   38    33    46    48  -0.07550 -1.0 2.0
   38    33    46    48   0.20000  1.0 3.0
   38    40   -44    46   1.63150  1.0 1.0
   38    40   -44    46   2.92000 -1.0 2.0
   38    42   -45    71   0.06250  1.0 1.0
   38    42   -45    71  -0.01100 -1.0 2.0
   38    42   -45    71   0.28050  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    42    71   0.15000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    45   0.23400  1.0 3.0
   40    38    42    71  -0.95700  1.0 1.0
   40    38    42    71  -0.18200 -1.0 2.0
   40    38    42    71   0.29450  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    45  -0.09450  1.0 1.0
   40    38    42    45  -1.12950 -1.0 2.0
   40    38    42    45   0.54000  1.0 3.0
   40    44   -46    33  -0.25900  1.0 1.0
   40    44   -46    33  -0.47000 -1.0 2.0
   40    44   -46    33   0.11750  1.0 3.0
   40    44    46    47   0.08050  1.0 3.0
   40    44    46    48  -0.25900  1.0 1.0
   40    44    46    48  -0.47000 -1.0 2.0
   40    44    46    48   0.11750  1.0 3.0
   41    40    44    46   3.00000 -1.0 2.0
   44    46    48    49   0.23400  1.0 3.0
   44    46    48    50   0.62750  1.0 1.0
   44    46    48    50  -0.30950 -1.0 2.0
   44    46    48    50   0.27300  1.0 3.0
   44    46    48    59   0.62750  1.0 1.0
   44    46    48    59  -0.30950 -1.0 2.0
   44    46    48    59   0.27300  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33   -38    40  -0.95700  1.0 1.0
   46    33   -38    40  -0.18200 -1.0 2.0
   46    33   -38    40   0.29450  1.0 3.0
   46    33    38    42   0.47050  1.0 1.0
   46    33    38    42   0.03900 -1.0 2.0
   46    33    38    42   0.20100  1.0 3.0
   46    48    50    51   0.15000  1.0 3.0
   46    48    50    52  -0.95700  1.0 1.0
   46    48    50    52  -0.18200 -1.0 2.0
   46    48    50    52   0.29450  1.0 3.0
   46    48    50    54   0.56750  1.0 1.0
   46    48    50    54  -0.07550 -1.0 2.0
   46    48    50    54   0.20000  1.0 3.0
   46    48    59    58   0.62750  1.0 1.0
   46    48    59    58  -0.30950 -1.0 2.0
   46    48    59    58   0.27300  1.0 3.0
   46    48    59    60   0.15000  1.0 3.0
   46    48    59    61   0.56750  1.0 1.0
   46    48    59    61  -0.07550 -1.0 2.0
   46    48    59    61   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    59   0.15000  1.0 3.0
   48    50    52    53   0.30150 -1.0 2.0
   48    50   -52    58   0.36750  1.0 3.0
   48    50    54    55   0.15000  1.0 3.0
   48    50    54    56   0.15000  1.0 3.0
   48    50    54    57   0.15000  1.0 3.0
   48    59    61    62   0.15000  1.0 3.0
   48    59    61    63   0.15000  1.0 3.0
   48    59    61    64   0.47050  1.0 1.0
   48    59    61    64   0.03900 -1.0 2.0
   48    59    61    64   0.20100  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52  -0.11250  1.0 3.0
   49    48    50    54   0.15000  1.0 3.0
   49    48    59    58   0.23400  1.0 3.0
   49    48    59    60   0.15000  1.0 3.0
   49    48    59    61   0.15000  1.0 3.0
   50    48   -59    58   0.62750  1.0 1.0
   50    48   -59    58  -0.30950 -1.0 2.0
   50    48   -59    58   0.27300  1.0 3.0
   50    48    59    60   0.15000  1.0 3.0
   50    48    59    61   0.56750  1.0 1.0
   50    48    59    61  -0.07550 -1.0 2.0
   50    48    59    61   0.20000  1.0 3.0
   50    52   -58    59   1.63150  1.0 1.0
   50    52   -58    59   2.92000 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    58   0.00000  1.0 1.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    55  -0.11250  1.0 3.0
   52    50    54    56  -0.11250  1.0 3.0
   52    50    54    57  -0.11250  1.0 3.0
   52    58   -59    48  -0.25900  1.0 1.0
   52    58   -59    48  -0.47000 -1.0 2.0
   52    58   -59    48   0.11750  1.0 3.0
   52    58    59    60   0.08050  1.0 3.0
   52    58    59    61  -0.25900  1.0 1.0
   52    58    59    61  -0.47000 -1.0 2.0
   52    58    59    61   0.11750  1.0 3.0
   53    52    58    59   3.00000 -1.0 2.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    63   0.23400  1.0 3.0
   58    59    61    64  -0.26800  1.0 1.0
   58    59    61    64   0.69150 -1.0 2.0
   58    59    61    64  -0.48750  1.0 3.0
   59    48    50    51   0.15000  1.0 3.0
   59    48   -50    52  -0.95700  1.0 1.0
   59    48   -50    52  -0.18200 -1.0 2.0
   59    48   -50    52   0.29450  1.0 3.0
   59    48    50    54   0.56750  1.0 1.0
   59    48    50    54  -0.07550 -1.0 2.0
   59    48    50    54   0.20000  1.0 3.0
   59    61    64    65   0.07850  1.0 1.0
   59    61    64    65  -0.03950 -1.0 2.0
   59    61    64    65   0.67350  1.0 3.0
   59    61    64    73   0.02550  1.0 1.0
   59    61    64    73  -0.02600 -1.0 2.0
   59    61    64    73   1.20400  1.0 3.0
   59    61    64    67   0.56750  1.0 1.0
   59    61    64    67  -0.07550 -1.0 2.0
   59    61    64    67   0.20000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   61    64    65    66   0.15000  1.0 3.0
   61    64    65    71   0.07850  1.0 1.0
   61    64    65    71  -0.03950 -1.0 2.0
   61    64    65    71   0.67350  1.0 3.0
   61    64   -65    73   0.02550  1.0 1.0
   61    64   -65    73  -0.02600 -1.0 2.0
   61    64   -65    73   1.20400  1.0 3.0
   61    64   -73    65   0.06250  1.0 1.0
   61    64   -73    65  -0.01100 -1.0 2.0
   61    64   -73    65   0.28050  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    69   0.15000  1.0 3.0
   61    64    67    70   0.15000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    73   0.23400  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    73   0.23400  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    65    71    72   0.15000  1.0 3.0
   64    65    71    42   0.07850  1.0 1.0
   64    65    71    42  -0.03950 -1.0 2.0
   64    65    71    42   0.67350  1.0 3.0
   64    65    71    45   0.02550  1.0 1.0
   64    65    71    45  -0.02600 -1.0 2.0
   64    65    71    45   1.20400  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    71    42    38   0.07850  1.0 1.0
   65    71    42    38  -0.03950 -1.0 2.0
   65    71    42    38   0.67350  1.0 3.0
   65    71    42    43   0.15000  1.0 3.0
   65    71   -42    45   0.02550  1.0 1.0
   65    71   -42    45  -0.02600 -1.0 2.0
   65    71   -42    45   1.20400  1.0 3.0
   65    71   -45    42   0.06250  1.0 1.0
   65    71   -45    42  -0.01100 -1.0 2.0
   65    71   -45    42   0.28050  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    42   0.15000  1.0 3.0
   66    65    71    45   0.23400  1.0 3.0
   66    65   -73    64   0.36800  1.0 3.0
   71    65   -73    64   0.06250  1.0 1.0
   71    65   -73    64  -0.01100 -1.0 2.0
   71    65   -73    64   0.28050  1.0 3.0
   72    71    42    38   0.15000  1.0 3.0
   72    71    42    43   0.15000  1.0 3.0
   72    71   -42    45   0.23400  1.0 3.0
   72    71   -45    42   0.36800  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    44   0.36750  1.0 3.0
   43    42   -45    71   0.36800  1.0 3.0
   45    71   -42    38   0.02550  1.0 1.0
   45    71   -42    38  -0.02600 -1.0 2.0
   45    71   -42    38   1.20400  1.0 3.0
   45    71   -42    43   0.23400  1.0 3.0
   73    64   -65    66   0.23400  1.0 3.0
   73    64   -65    71   0.02550  1.0 1.0
   73    64   -65    71  -0.02600 -1.0 2.0
   73    64   -65    71   1.20400  1.0 3.0
   73    64    67    68   0.23400  1.0 3.0
   73    64    67    69   0.23400  1.0 3.0
   73    64    67    70   0.23400  1.0 3.0
   73    65    71    72   0.23400  1.0 3.0
   73    65    71    42   0.02550  1.0 1.0
   73    65    71    42  -0.02600 -1.0 2.0
   73    65    71    42   1.20400  1.0 3.0
   73    65    71    45   1.11900  1.0 1.0
   73    65    71    45  -1.16350 -1.0 2.0
   73    65    71    45  -0.34150  1.0 3.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    71   0.07850  1.0 1.0
   67    64    65    71  -0.03950 -1.0 2.0
   67    64    65    71   0.67350  1.0 3.0
   67    64   -65    73   0.02550  1.0 1.0
   67    64   -65    73  -0.02600 -1.0 2.0
   67    64   -65    73   1.20400  1.0 3.0
   67    64   -73    65   0.06250  1.0 1.0
   67    64   -73    65  -0.01100 -1.0 2.0
   67    64   -73    65   0.28050  1.0 3.0
   54    50    52    53   0.30150 -1.0 2.0
   54    50    52    58   0.36750  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
   37    30    35    36  10.50000 -1.0 2.0
   38    44    40    41  10.50000 -1.0 2.0
   50    58    52    53  10.50000 -1.0 2.0
END
