* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    131    204     375
    1     0 S   NP   _N1_     1    30.11930   101.94621   -20.60730
    2     1 S   H    _HN1     2     1.02787    92.30191   -84.79470
    3     1 S   H    _H1_     3     1.02954    44.36291    29.30780
    4     1 S   H    _H2_     4     1.02834    73.46089   167.22533
    5     1 S   CT   _CA1     5     1.50124   151.13325    64.07106
    6     5 S   HC   _HA1     6     1.09587   105.15846   152.42825
    7     5 S   CO3  _C1_     7     1.53579   112.39454    32.39554
    8     7 S   O2Z  _O11     8     1.26326   115.02484   -45.73330
    9     7 S   O2Z  _O12     9     1.26216   114.82276   133.19066
   10     5 S   CT   _CB1    10     1.53015   107.40336   -89.89350
   11    10 S   HC   HB11    11     1.09835   108.86537   -52.37662
   12    10 S   HC   HB12    12     1.09813   110.60160    63.98675
   13    10 S   CT   _CG1    13     1.53093   112.89001  -173.56721
   14    13 S   HC   HG11    14     1.09580   110.56795   -71.01056
   15    13 S   HC   HG12    15     1.09669   109.89805    48.26396
   16    13 S   C    _CD1    16     1.51855   111.95728   168.31791
   17    16 S   O    _OE1    17     1.22785   123.18599     6.32608
   18    16 S   N    _N2_    18     1.38540   111.98818  -173.28835
   19    18 S   H    _HN2    19     1.01606   119.13294     0.91472
   20    18 S   CT1  _CA2    20     1.45968   122.59712   173.78016
   21    20 S   HC   _HA2    21     1.09650   110.09622    21.86297
   22    20 S   C    _C2_    22     1.52710   104.24436   -95.56043
   23    22 S   O    _O2_    23     1.23019   122.49706   -79.07784
   24    20 S   CT   _CB2    32     1.53009   111.82541   145.64055
   25    24 S   HC   HB21    33     1.09464   110.14166    48.85786
   26    24 S   HC   HB22    34     1.09531   109.99496   167.62976
   27    22 S   N    _N3_    24     1.38426   113.02059    96.55092
   28    27 S   H    _HN3    25     1.01685   120.26197     0.48254
   29    24 S   S    _SG2    35     1.82734   110.60643   -73.30704
   30    27 S   CT   _CA3    26     1.45331   122.44409  -177.90249
   31    30 S   HC   HA31    27     1.09565   107.68168   -58.72168
   32    30 S   HC   HA32    28     1.09572   107.70552    57.56755
   33    29 S   CT   _C22    36     1.84773   100.90548   153.68333
   34    33 S   OM   _O20    37     1.31906   110.34257   178.21381
   35    30 S   CO3  _C3_    29     1.52871   114.42879   179.37099
   36    35 S   O2Z  _O31    30     1.26316   116.11255     0.00000
   37    35 S   O2Z  _O32    31     1.26444   114.37838  -179.94766
   38    33 S   CT   _C21    38     1.54555   107.72723    62.98598
   39    38 S   HC   _H37    39     1.09680   111.59967   -66.45284
   40    38 S   HC   _H38    40     1.10005   111.19333   177.06902
   41    38 S   HC   _H39    41     1.09822   113.24364    56.07549
   42    33 S   OS   _O26    42     1.44721   114.22928   -52.86148
   43    42 S   CA   _C15    43     1.37135   123.71613   -57.71274
   44    43 S   CA   _C6_    44     1.40270   113.80623   167.43638
   45    44 S   HA   _H30    45     1.08861   119.56853    -0.62651
   46    43 S   CA   _C8_    72     1.39836   126.07439   -13.54448
   47    46 S   HA   _H32    73     1.08132   123.63141     0.05935
   48    44 S   CA   _C4_    46     1.40249   121.84985   179.44893
   49    48 S   HA   _H28    47     1.08583   120.10493   179.96574
   50    48 S   C56B _C10    48     1.40430   118.62919    -0.45024
   51    50 S   C5B  _C12    49     1.42282   136.14172  -179.16163
   52    51 S   C5A  _C17    50     1.37994   106.35039   179.64447
   53    51 S   CO4  _C18    61     1.44573   131.04124    -0.19180
   54    53 S   O    _O21    62     1.22600   123.45504     0.27695
   55    52 S   CA   _C11    51     1.39294   121.73269  -179.87967
   56    52 S   OA   _O23    70     1.36044   110.61025     0.06853
   57    55 S   CA   _C5_    52     1.40655   122.79146  -179.53228
   58    57 S   HA   _H29    53     1.08668   121.04941     0.11014
   59    50 S   C56A _C13    71     1.39040   118.13811     0.34035
   60    57 S   CA   _C7_    54     1.39507   119.36397   179.59218
   61    60 S   HA   _H31    55     1.08592   119.98026  -179.37976
   62    60 S   CA   _C16    56     1.39883   119.46791     0.60166
   63    62 S   CA   _C9_    57     1.39519   121.96820    -1.27702
   64    63 S   HA   _H33    58     1.08505   120.87818  -178.75778
   65    62 S   OS   _O25    63     1.39780   118.93712  -178.28936
   66    55 S   CA   _C14    59     1.40451   117.16413     0.03426
   67    65 S   CO4  _C19    64     1.38996   112.78239   -91.76682
   68    67 S   O    _O22    65     1.22382   127.12984     0.04423
   69    66 S   OS   _O24    60     1.41654   121.96974     0.16193
   70    67 S   CT   _C20    66     1.49993   108.67015  -179.96044
   71    70 S   HC   _H34    67     1.09286   109.82556   -60.99108
   72    70 S   HC   _H35    68     1.09378   109.32425   179.97202
   73    70 S   HC   _H36    69     1.09286   109.82550    60.95867
  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   8   5   4   3
   9   6   2   1   1   5   3   2   1   7   9   8   4   7   3   7
   3   8   9  11   7   2  11   3   8   4   1   7   3   8   5   3
   7   1   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    46  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    48    59    46    47  
   44    45    48    49    50    56    59    46    47  
   45    48    49    50    51    59    46    47  
   48    49    50    46  
   47    48    50    51    52    56    59  
   50    56    59  
   49    50    51    52    53    56    59  
   50    51    59  
   51    52    55    69    53    54    56    59  
   52    55    57    66    69    53    54    56    59  
   55    57    58    60    63    66    69    53    54    56    59  
   54    56    59    55    63    66    69  
   66    69  
   57    58    60    61    62    63    64    66    69    56    59  
   59    57    66  
   58    60    61    62    63    66    69    65  
   60    61    62    66  
    0  
   61    62    63    64    66    65    67  
   62    63    65  
   63    64    66    69    65    67    68    70  
   64    66    69    65    67  
   66    69    65  
   67    68    70    71    72    73    66  
   69  
   68    70    71    72    73  
   70    71    72    73  
    0  
   71    72    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.127000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.192500   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.157100   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.324500   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.195500   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.303800   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.193000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.387700   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.251300   2.5000   1.7750   0.001000000  -0.843144165
   53   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    46   469.000  1.400
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.404
   50    51   380.000  1.440
   50    59   447.000  1.419
   51    52   520.000  1.370
   51    53   345.000  1.446
   52    55   365.000  1.450
   52    56   340.000  1.360
   55    57   469.000  1.400
   55    66   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   469.000  1.400
   62    65   450.000  1.364
   63    64   367.000  1.080
   63    66   469.000  1.400
   66    69   450.000  1.364
   69    53   214.000  1.327
   53    54   570.000  1.229
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   56    59   425.000  1.380
   59    46   469.000  1.400
   46    47   367.000  1.080
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    46    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    48    63.00000  120.00000
   43    46    59    85.00000  120.00000
   43    46    47    35.00000  120.00000
   44    48    49    35.00000  120.00000
   44    48    50    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    50    51    50.00000  134.85500
   48    50    59    85.00000  116.20000
   50    48    49    35.00000  120.00000
   50    51    52    80.00000  105.82900
   50    51    53    50.00000  130.14000
   50    59    56   100.00000  108.43400
   50    59    46    85.00000  122.70000
   51    52    55    55.00000  129.85000
   51    52    56    70.00000  108.00000
   51    53    69    90.00000  113.34000
   51    53    54    75.00000  126.12000
   52    55    57    65.00000  121.65900
   52    55    66    65.00000  121.65900
   52    56    59   110.00000  105.28000
   55    57    58    35.00000  120.00000
   55    57    60    63.00000  120.00000
   55    66    63    63.00000  120.00000
   55    66    69    70.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    62    63.00000  120.00000
   60    57    58    35.00000  120.00000
   60    62    63    63.00000  120.00000
   60    62    65    70.00000  120.00000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    66    63.00000  120.00000
   62    65    67    85.00000  115.98000
   63    66    69    70.00000  120.00000
   66    55    57    63.00000  120.00000
   66    63    64    35.00000  120.00000
   66    69    53    85.00000  115.98000
   69    53    54    83.00000  123.40000
   53    51    52    60.00000  123.95000
   65    62    63    70.00000  120.00000
   65    67    68    83.00000  123.40000
   65    67    70    81.00000  111.40000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   70    67    68    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   56    52    55    80.00000  116.57000
   56    59    46    70.00000  124.10000
   59    50    51    80.00000  107.43600
   59    46    47    35.00000  120.00000
   46    43    44    63.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  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   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    46   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    48   3.62500 -1.0 2.0
   42    43    46    59   3.62500 -1.0 2.0
   42    43    46    47   3.62500 -1.0 2.0
   43    44    48    49   3.62500 -1.0 2.0
   43    44    48    50   3.62500 -1.0 2.0
   44    43    46    59   3.62500 -1.0 2.0
   44    43    46    47   3.62500 -1.0 2.0
   44    48    50    51   3.62500 -1.0 2.0
   44    48   -50    59   3.50000 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    50   3.62500 -1.0 2.0
   48    50    51    52   3.62500 -1.0 2.0
   48    50    51    53   3.62500 -1.0 2.0
   48    50    59    56   3.62500 -1.0 2.0
   48    50    59    46   3.00000 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    59   3.50000 -1.0 2.0
   50    51    52    55   3.62500 -1.0 2.0
   50    51   -52    56   3.62500 -1.0 2.0
   50    51    53    69   0.98750 -1.0 2.0
   50    51    53    54   1.05000 -1.0 2.0
   50    59   -46    43   3.62500 -1.0 2.0
   50    59    46    47   3.62500 -1.0 2.0
   51    50   -59    56   3.62500 -1.0 2.0
   51    50    59    46   3.00000 -1.0 2.0
   51    52    55    57  -0.19450  1.0 1.0
   51    52    55    57   0.63300 -1.0 2.0
   51    52    55    57   0.07450  1.0 3.0
   51    52    55    66  -0.19450  1.0 1.0
   51    52    55    66   0.63300 -1.0 2.0
   51    52    55    66   0.07450  1.0 3.0
   51    52   -56    59   3.62500 -1.0 2.0
   52    51    53    69   0.98750 -1.0 2.0
   52    51    53    54   1.05000 -1.0 2.0
   52    55    57    58   3.62500 -1.0 2.0
   52    55    57    60   3.62500 -1.0 2.0
   52    55    66    63   3.62500 -1.0 2.0
   52    55   -66    69   3.62500 -1.0 2.0
   52    56   -59    50   3.62500 -1.0 2.0
   52    56    59    46   3.62500 -1.0 2.0
   55    52    56    59   3.62500 -1.0 2.0
   55    57    60    61   3.62500 -1.0 2.0
   55    57    60    62   3.62500 -1.0 2.0
   55    66    69    53   0.01300  1.0 1.0
   55    66    69    53   0.97950 -1.0 2.0
   55    66    69    53  -0.55700  1.0 3.0
   57    55    66    63   3.62500 -1.0 2.0
   57    55    66    69   3.62500 -1.0 2.0
   57    60   -62    63   3.62500 -1.0 2.0
   57    60    62    65   3.62500 -1.0 2.0
   58    57    60    61   3.62500 -1.0 2.0
   58    57    60    62   3.62500 -1.0 2.0
   60    62    63    64   3.62500 -1.0 2.0
   60    62    63    66   3.62500 -1.0 2.0
   60    62    65    67   0.01300  1.0 1.0
   60    62    65    67   0.97950 -1.0 2.0
   60    62    65    67  -0.55700  1.0 3.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    65   3.62500 -1.0 2.0
   62    63   -66    55   3.62500 -1.0 2.0
   62    63    66    69   3.62500 -1.0 2.0
   62    65    67    68   3.00000 -1.0 2.0
   62    65    67    70   0.75600  1.0 1.0
   62    65    67    70   1.63000 -1.0 2.0
   63    62    65    67   0.01300  1.0 1.0
   63    62    65    67   0.97950 -1.0 2.0
   63    62    65    67  -0.55700  1.0 3.0
   63    66    69    53   0.01300  1.0 1.0
   63    66    69    53   0.97950 -1.0 2.0
   63    66    69    53  -0.55700  1.0 3.0
   64    63    66    55   3.62500 -1.0 2.0
   64    63    66    69   3.62500 -1.0 2.0
   66    55    57    58   3.62500 -1.0 2.0
   66    55   -57    60   3.62500 -1.0 2.0
   66    69   -53    51   2.00000 -1.0 2.0
   66    69    53    54   3.00000 -1.0 2.0
   53    51   -52    55   3.62500 -1.0 2.0
   53    51    52    56   3.62500 -1.0 2.0
   65    62    63    64   3.62500 -1.0 2.0
   65    62    63    66   3.62500 -1.0 2.0
   65    67    70    71   0.00000  1.0 1.0
   65    67    70    72   0.00000  1.0 1.0
   65    67    70    73   0.00000  1.0 1.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   68    67    70    73   0.00000  1.0 1.0
   56    52    55    57  -0.02050  1.0 1.0
   56    52    55    57   0.57800 -1.0 2.0
   56    52    55    57  -0.12500  1.0 3.0
   56    52    55    66  -0.02050  1.0 1.0
   56    52    55    66   0.57800 -1.0 2.0
   56    52    55    66  -0.12500  1.0 3.0
   56    59    46    43   3.62500 -1.0 2.0
   56    59    46    47   3.62500 -1.0 2.0
   59    50   -51    52   3.50000 -1.0 2.0
   59    50    51    53   3.62500 -1.0 2.0
   46    43    44    45   3.62500 -1.0 2.0
   46    43   -44    48   3.62500 -1.0 2.0
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
   44    46    43    42   4.00000 -1.0 2.0
   48    45    44    43   1.10000 -1.0 2.0
   50    49    48    44   1.10000 -1.0 2.0
   51    59    50    48   4.00000 -1.0 2.0
   52    53    51    50   4.00000 -1.0 2.0
   55    56    52    51   4.00000 -1.0 2.0
   57    66    55    52   4.00000 -1.0 2.0
   60    58    57    55   1.10000 -1.0 2.0
   62    61    60    57   1.10000 -1.0 2.0
   63    65    62    60   4.00000 -1.0 2.0
   66    64    63    62   1.10000 -1.0 2.0
   63    69    66    55   4.00000 -1.0 2.0
   51    69    53    54  10.50000 -1.0 2.0
   65    70    67    68  10.50000 -1.0 2.0
   56    46    59    50   4.00000 -1.0 2.0
   59    47    46    43   1.10000 -1.0 2.0
END
