* LIGAND DATABASE FILE (OPLS2005)
*
001      73    77    149    241     425
    1     0 S   NP   _N1_     1    28.24054    94.23309   -22.43212
    2     1 S   H    _HN1     2     1.02854    91.04354   -26.20958
    3     1 S   H    _H1_     3     1.02969    30.37772    97.62114
    4     1 S   H    _H2_     4     1.02793    89.60106  -134.43397
    5     1 S   CT   _CA1     5     1.50521   140.32521   100.09244
    6     5 S   HC   _HA1     6     1.09685   104.64818    62.12340
    7     5 S   CO3  _C1_     7     1.54541   110.84968   -53.74573
    8     7 S   O2Z  _O11     8     1.26067   116.77927  -119.05471
    9     7 S   O2Z  _O12     9     1.26562   113.71230    59.72803
   10     5 S   CT   _CB1    10     1.53098   106.99909   178.18350
   11    10 S   HC   HB11    11     1.09832   110.12901   -42.98988
   12    10 S   HC   HB12    12     1.09699   109.92560    73.46841
   13    10 S   CT   _CG1    13     1.53049   112.30475  -163.52416
   14    13 S   HC   HG11    14     1.09527   110.94127   -53.35446
   15    13 S   HC   HG12    15     1.09658   109.75852    65.47774
   16    13 S   C    _CD1    16     1.51792   112.46358  -174.01359
   17    16 S   O    _OE1    17     1.22733   123.39305    -3.47829
   18    16 S   N    _N2_    18     1.38528   111.56945   176.18387
   19    18 S   H    _HN2    19     1.01551   119.08384     5.74413
   20    18 S   CT1  _CA2    20     1.45805   123.06250  -177.75406
   21    20 S   HC   _HA2    21     1.09608   108.51419    26.18823
   22    20 S   C    _C2_    22     1.52850   107.46673   -90.79856
   23    22 S   O    _O2_    23     1.22963   123.07386   -26.01254
   24    20 S   CT   _CB2    32     1.53296   111.98036   149.22899
   25    24 S   HC   HB21    33     1.09655   109.78384    60.38318
   26    24 S   HC   HB22    34     1.09553   111.41425   178.16784
   27    22 S   N    _N3_    24     1.38492   112.49358   156.68022
   28    27 S   H    _HN3    25     1.01653   120.38145    -2.31604
   29    24 S   S    _SG2    35     1.82530   112.84288   -58.64288
   30    27 S   CT   _CA3    26     1.45352   122.48668   178.63771
   31    30 S   HC   HA31    27     1.09566   107.80037   -55.89702
   32    30 S   HC   HA32    28     1.09561   107.62964    60.44754
   33    29 S   CT   _C18    36     1.82179    99.71095   -79.01365
   34    33 S   HC   _H3_    37     1.09471   107.53522   -75.99912
   35    33 S   HC   _H4_    38     1.09288   111.12064    40.22510
   36    30 S   CO3  _C3_    29     1.52888   114.29473  -177.82498
   37    36 S   O2Z  _O31    30     1.26337   116.05171    -1.11908
   38    36 S   O2Z  _O32    31     1.26429   114.41876   178.85910
   39    33 S   CM   _C4_    39     1.50072   109.99999   162.14888
   40    39 S   CMA  _C5_    40     1.35305   127.04559   108.21290
   41    40 S   OM   _O16    41     1.26299   128.27449     0.35773
   42    40 S   OS   _O17    42     1.42589   109.30773  -177.58824
   43    42 S   CT   _C10    43     1.43558   104.36714   -22.16276
   44    43 S   HC   _H28    44     1.10066   106.89906   -83.52797
   45    39 S   CT   _C8_    45     1.50511   122.30160   -69.00320
   46    45 S   HC   _H26    46     1.09720   106.85728    82.08044
   47    43 S   CT   _C9_    55     1.52386   111.11353   156.67639
   48    47 S   HC   _H27    56     1.09706   109.60869   -59.08221
   49    45 S   CT   _C6_    47     1.53068   117.63484   -42.29820
   50    49 S   HC   _H22    48     1.09571   110.31991    42.60043
   51    49 S   HC   _H23    49     1.09825   109.50701   -72.39527
   52    47 S   C3T  _C14    57     1.53223   114.00036    59.55797
   53    49 S   CT   _C7_    50     1.54289   116.76485   163.92525
   54    53 S   HC   _H24    51     1.09851   106.36877   155.07680
   55    53 S   HC   _H25    52     1.09712   106.81508   -92.25617
   56    52 S   C3T  _C12    58     1.52159   109.14436   122.88000
   57    56 S   HC   _H30    59     1.07994   119.60216   141.81941
   58    52 S   CT   _C16    64     1.48559   120.62914   -89.49753
   59    58 S   HC   _H31    65     1.09526   111.67535  -176.95715
   60    58 S   HC   _H32    66     1.09373   110.84211    62.95099
   61    58 S   HC   _H33    67     1.09454   110.46845   -57.01565
   62    53 S   CT   _C15    53     1.54714   119.67459    30.62684
   63    66 S   C3T  _C11    60     1.53025   127.38721   122.37235
   64    63 S   HC   _H29    61     1.07854   120.71572    13.11670
   65    52 S   O3T  _O19    63     1.43029   117.09838    59.58258
   66    62 S   C3T  _C13    54     1.50732   112.01747    37.77751
   67    66 S   O3T  _O18    62     1.44408   112.47524    57.23253
   68    62 S   CT   _C17    68     1.53670   109.20030   162.94132
   69    68 S   HC   _H34    69     1.09617   110.84470   173.52156
   70    68 S   HC   _H35    70     1.09568   111.13247    55.48336
   71    68 S   HC   _H36    71     1.09502   112.00234   -65.29918
   72    62 S   OH   _O20    72     1.43384   108.47349   -82.03115
   73    72 S   HO   _H39    73     0.97657   108.40737   -61.29579
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  17   7  12   5  18   8
   9   5   4  12  12   5   4  11   6   6   3   2   1  10   6   3
   2   7   2   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    49  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    51    53    47  
   41    42    43    44    45    46    49    47  
   42    43    45  
   43    44    45    46    49    66    47    48    52  
   44    45    46    49    50    51    53    62    66    47    48    52    56    63    67    65    58  
   45    46    49    66    47    48    52  
   46    49    50    51    53    54    55    62    66    47    48    52  
   49    50    51    53    47  
   48    52    56    57    63    64    67    65    58    59    60    61    68    72    49    53    62    66  
   52    56    63    67    65    58    62    66  
   50    51    53    54    55    62    66    68    72  
   51    53    54    55    62  
   53    54    55    62  
   56    57    63    64    67    65    58    59    60    61    62    66  
   54    55    62    66    63    67    68    69    70    71    72    73  
   55    62    66    68    72  
   62    66    68    72  
   57    63    64    67    65    58    59    60    61    62    66  
   63    64    67    65    58    66  
   59    60    61    63    65    66  
   60    61    65  
   61    65  
   65  
   66    63    64    67    68    69    70    71    72    73  
   64    67    65    68    72    66  
   67    65    66  
   66    67  
   67    68    69    70    71    72    73  
   68    72  
   69    70    71    72    73  
   70    71    72  
   71    72  
   72  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   67   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   268.000  1.529
   62    66   275.000  1.510
   62    68   268.000  1.529
   62    72   320.000  1.410
   66    47   275.000  1.510
   66    63   260.000  1.509
   66    67   335.000  1.432
   47    48   340.000  1.090
   47    52   275.000  1.510
   52    56   260.000  1.509
   52    65   335.000  1.432
   52    58   275.000  1.510
   56    57   340.000  1.088
   56    63   260.000  1.509
   56    65   335.000  1.432
   63    64   340.000  1.088
   63    67   335.000  1.432
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    49    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    47    66    70.00000  112.37300
   43    47    48    37.50000  110.70000
   43    47    52    70.00000  112.37300
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    53    58.35000  112.70000
   49    45    46    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    62    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    62    66    70.00000  112.37300
   53    62    68    58.35000  112.70000
   53    62    72    50.00000  109.50000
   55    53    54    33.00000  107.80000
   62    53    54    37.50000  110.70000
   62    53    55    37.50000  110.70000
   62    66    47    58.35000  112.70000
   62    66    63    60.00000  120.94000
   62    66    67    80.00000  116.47100
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    71    37.50000  110.70000
   62    72    73    55.00000  108.50000
   66    47    48    45.00000  109.38400
   66    47    52    70.00000  112.37300
   66    63    56    60.00000  120.94000
   66    63    64    37.50000  117.20000
   66    63    67    15.00000   60.43100
   66    67    63    15.00000   59.14900
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    52    56    60.00000  120.94000
   47    52    65    80.00000  116.47100
   47    52    58    58.35000  112.70000
   52    47    48    45.00000  109.38400
   52    56    57    37.50000  117.20000
   52    56    63    60.00000  120.94000
   52    56    65    15.00000   60.43100
   52    65    56    15.00000   59.14900
   52    58    59    45.00000  109.38400
   52    58    60    45.00000  109.38400
   52    58    61    45.00000  109.38400
   56    63    64    37.50000  117.20000
   56    63    67    80.00000  116.47100
   63    66    47    60.00000  120.94000
   63    56    57    37.50000  117.20000
   67    66    47    80.00000  116.47100
   67    66    63    15.00000   60.43100
   67    63    64    50.00000  114.27700
   65    52    56    15.00000   60.43100
   65    56    57    50.00000  114.27700
   65    56    63    80.00000  116.47100
   58    52    56    60.00000  120.94000
   58    52    65    80.00000  116.47100
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   68    62    66    70.00000  112.37300
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    62    66    50.00000  109.50000
   72    62    68    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    49   0.46850  1.0 1.0
   33    39    45    49   0.08550 -1.0 2.0
   33    39    45    49   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    49    50   0.15000  1.0 3.0
   39    45    49    51   0.15000  1.0 3.0
   39    45    49    53   0.34400  1.0 1.0
   39    45    49    53   0.09450 -1.0 2.0
   39    45    49    53   0.11100  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    49   0.09850  1.0 1.0
   40    39    45    49   0.15250 -1.0 2.0
   40    39    45    49  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.62750  1.0 1.0
   42    43    45    49  -0.30950 -1.0 2.0
   42    43    45    49   0.27300  1.0 3.0
   42    43    47    66  -0.26800  1.0 1.0
   42    43    47    66   0.69150 -1.0 2.0
   42    43    47    66  -0.48750  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   42    43    47    52  -0.26800  1.0 1.0
   42    43    47    52   0.69150 -1.0 2.0
   42    43    47    52  -0.48750  1.0 3.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    51   0.15000  1.0 3.0
   43    45    49    53   0.56750  1.0 1.0
   43    45    49    53  -0.07550 -1.0 2.0
   43    45    49    53   0.20000  1.0 3.0
   43    47    52    56   0.07850  1.0 1.0
   43    47    52    56  -0.03950 -1.0 2.0
   43    47    52    56   0.67350  1.0 3.0
   43    47    52    65   0.02550  1.0 1.0
   43    47    52    65  -0.02600 -1.0 2.0
   43    47    52    65   1.20400  1.0 3.0
   43    47    52    58   0.56750  1.0 1.0
   43    47    52    58  -0.07550 -1.0 2.0
   43    47    52    58   0.20000  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    47    66   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    52   0.15000  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    66   0.47050  1.0 1.0
   45    43    47    66   0.03900 -1.0 2.0
   45    43    47    66   0.20100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    52   0.47050  1.0 1.0
   45    43    47    52   0.03900 -1.0 2.0
   45    43    47    52   0.20100  1.0 3.0
   45    49    53    54   0.15000  1.0 3.0
   45    49    53    55   0.15000  1.0 3.0
   45    49    53    62   0.56750  1.0 1.0
   45    49    53    62  -0.07550 -1.0 2.0
   45    49    53    62   0.20000  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    53   0.15000  1.0 3.0
   49    53    62    66   0.47050  1.0 1.0
   49    53    62    66   0.03900 -1.0 2.0
   49    53    62    66   0.20100  1.0 3.0
   49    53    62    68   0.56750  1.0 1.0
   49    53    62    68  -0.07550 -1.0 2.0
   49    53    62    68   0.20000  1.0 3.0
   49    53    62    72   0.86500  1.0 1.0
   49    53    62    72  -0.17500 -1.0 2.0
   49    53    62    72   0.20800  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    62   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    62   0.15000  1.0 3.0
   53    62    66    47   0.56750  1.0 1.0
   53    62    66    47  -0.07550 -1.0 2.0
   53    62    66    47   0.20000  1.0 3.0
   53    62    66    63   0.07850  1.0 1.0
   53    62    66    63  -0.03950 -1.0 2.0
   53    62    66    63   0.67350  1.0 3.0
   53    62    66    67   0.02550  1.0 1.0
   53    62    66    67  -0.02600 -1.0 2.0
   53    62    66    67   1.20400  1.0 3.0
   53    62    68    69   0.15000  1.0 3.0
   53    62    68    70   0.15000  1.0 3.0
   53    62    68    71   0.15000  1.0 3.0
   53    62    72    73  -0.11600  1.0 1.0
   53    62    72    73  -0.09450 -1.0 2.0
   53    62    72    73   0.21250  1.0 3.0
   54    53    62    66   0.15000  1.0 3.0
   54    53    62    68   0.15000  1.0 3.0
   54    53    62    72   0.23400  1.0 3.0
   55    53    62    66   0.15000  1.0 3.0
   55    53    62    68   0.15000  1.0 3.0
   55    53    62    72   0.23400  1.0 3.0
   62    66    47    43   0.56750  1.0 1.0
   62    66    47    43  -0.07550 -1.0 2.0
   62    66    47    43   0.20000  1.0 3.0
   62    66    47    48   0.15000  1.0 3.0
   62    66    47    52   0.47050  1.0 1.0
   62    66    47    52   0.03900 -1.0 2.0
   62    66    47    52   0.20100  1.0 3.0
   62    66    63    56   0.07850  1.0 1.0
   62    66    63    56  -0.03950 -1.0 2.0
   62    66    63    56   0.67350  1.0 3.0
   62    66    63    64   0.15000  1.0 3.0
   62    66   -63    67   0.02550  1.0 1.0
   62    66   -63    67  -0.02600 -1.0 2.0
   62    66   -63    67   1.20400  1.0 3.0
   62    66   -67    63   0.06250  1.0 1.0
   62    66   -67    63  -0.01100 -1.0 2.0
   62    66   -67    63   0.28050  1.0 3.0
   66    62    68    69   0.15000  1.0 3.0
   66    62    68    70   0.15000  1.0 3.0
   66    62    68    71   0.15000  1.0 3.0
   66    62    72    73  -0.11600  1.0 1.0
   66    62    72    73  -0.09450 -1.0 2.0
   66    62    72    73   0.21250  1.0 3.0
   66    47   -52    56   0.07850  1.0 1.0
   66    47   -52    56  -0.03950 -1.0 2.0
   66    47   -52    56   0.67350  1.0 3.0
   66    47    52    65   0.02550  1.0 1.0
   66    47    52    65  -0.02600 -1.0 2.0
   66    47    52    65   1.20400  1.0 3.0
   66    47    52    58   0.47050  1.0 1.0
   66    47    52    58   0.03900 -1.0 2.0
   66    47    52    58   0.20100  1.0 3.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.56750  1.0 1.0
   47    43    45    49  -0.07550 -1.0 2.0
   47    43    45    49   0.20000  1.0 3.0
   47    66   -63    56   0.07850  1.0 1.0
   47    66   -63    56  -0.03950 -1.0 2.0
   47    66   -63    56   0.67350  1.0 3.0
   47    66    63    64   0.15000  1.0 3.0
   47    66   -63    67   0.02550  1.0 1.0
   47    66   -63    67  -0.02600 -1.0 2.0
   47    66   -63    67   1.20400  1.0 3.0
   47    66   -67    63   0.06250  1.0 1.0
   47    66   -67    63  -0.01100 -1.0 2.0
   47    66   -67    63   0.28050  1.0 3.0
   47    52    56    57   0.15000  1.0 3.0
   47    52   -56    63   0.07850  1.0 1.0
   47    52   -56    63  -0.03950 -1.0 2.0
   47    52   -56    63   0.67350  1.0 3.0
   47    52   -56    65   0.02550  1.0 1.0
   47    52   -56    65  -0.02600 -1.0 2.0
   47    52   -56    65   1.20400  1.0 3.0
   47    52   -65    56   0.06250  1.0 1.0
   47    52   -65    56  -0.01100 -1.0 2.0
   47    52   -65    56   0.28050  1.0 3.0
   47    52    58    59   0.15000  1.0 3.0
   47    52    58    60   0.15000  1.0 3.0
   47    52    58    61   0.15000  1.0 3.0
   48    47    52    56   0.15000  1.0 3.0
   48    47    52    65   0.23400  1.0 3.0
   48    47    52    58   0.15000  1.0 3.0
   52    56   -63    66   0.07850  1.0 1.0
   52    56   -63    66  -0.03950 -1.0 2.0
   52    56   -63    66   0.67350  1.0 3.0
   52    56    63    64   0.15000  1.0 3.0
   52    56    63    67   0.02550  1.0 1.0
   52    56    63    67  -0.02600 -1.0 2.0
   52    56    63    67   1.20400  1.0 3.0
   56    52    58    59   0.15000  1.0 3.0
   56    52    58    60   0.15000  1.0 3.0
   56    52    58    61   0.15000  1.0 3.0
   56    63   -67    66   0.06250  1.0 1.0
   56    63   -67    66  -0.01100 -1.0 2.0
   56    63   -67    66   0.28050  1.0 3.0
   57    56    63    66   0.15000  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    67   0.23400  1.0 3.0
   57    56   -65    52   0.36800  1.0 3.0
   63    66    47    43   0.07850  1.0 1.0
   63    66    47    43  -0.03950 -1.0 2.0
   63    66    47    43   0.67350  1.0 3.0
   63    66    47    48   0.15000  1.0 3.0
   63    66   -47    52   0.07850  1.0 1.0
   63    66   -47    52  -0.03950 -1.0 2.0
   63    66   -47    52   0.67350  1.0 3.0
   63    56   -65    52   0.06250  1.0 1.0
   63    56   -65    52  -0.01100 -1.0 2.0
   63    56   -65    52   0.28050  1.0 3.0
   64    63   -67    66   0.36800  1.0 3.0
   67    66    47    43   0.02550  1.0 1.0
   67    66    47    43  -0.02600 -1.0 2.0
   67    66    47    43   1.20400  1.0 3.0
   67    66    47    48   0.23400  1.0 3.0
   67    66   -47    52   0.02550  1.0 1.0
   67    66   -47    52  -0.02600 -1.0 2.0
   67    66   -47    52   1.20400  1.0 3.0
   67    66   -63    56   0.02550  1.0 1.0
   67    66   -63    56  -0.02600 -1.0 2.0
   67    66   -63    56   1.20400  1.0 3.0
   67    66   -63    64   0.23400  1.0 3.0
   65    52   -56    57   0.23400  1.0 3.0
   65    52   -56    63   0.02550  1.0 1.0
   65    52   -56    63  -0.02600 -1.0 2.0
   65    52   -56    63   1.20400  1.0 3.0
   65    52    58    59   0.23400  1.0 3.0
   65    52    58    60   0.23400  1.0 3.0
   65    52    58    61   0.23400  1.0 3.0
   65    56   -63    66   0.02550  1.0 1.0
   65    56   -63    66  -0.02600 -1.0 2.0
   65    56   -63    66   1.20400  1.0 3.0
   65    56    63    64   0.23400  1.0 3.0
   65    56    63    67   1.11900  1.0 1.0
   65    56    63    67  -1.16350 -1.0 2.0
   65    56    63    67  -0.34150  1.0 3.0
   58    52    56    57   0.15000  1.0 3.0
   58    52    56    63   0.07850  1.0 1.0
   58    52    56    63  -0.03950 -1.0 2.0
   58    52    56    63   0.67350  1.0 3.0
   58    52   -56    65   0.02550  1.0 1.0
   58    52   -56    65  -0.02600 -1.0 2.0
   58    52   -56    65   1.20400  1.0 3.0
   58    52   -65    56   0.06250  1.0 1.0
   58    52   -65    56  -0.01100 -1.0 2.0
   58    52   -65    56   0.28050  1.0 3.0
   68    62    66    47   0.56750  1.0 1.0
   68    62    66    47  -0.07550 -1.0 2.0
   68    62    66    47   0.20000  1.0 3.0
   68    62    66    63   0.07850  1.0 1.0
   68    62    66    63  -0.03950 -1.0 2.0
   68    62    66    63   0.67350  1.0 3.0
   68    62    66    67   0.02550  1.0 1.0
   68    62    66    67  -0.02600 -1.0 2.0
   68    62    66    67   1.20400  1.0 3.0
   68    62    72    73  -0.11600  1.0 1.0
   68    62    72    73  -0.09450 -1.0 2.0
   68    62    72    73   0.21250  1.0 3.0
   72    62    66    47   0.86500  1.0 1.0
   72    62    66    47  -0.17500 -1.0 2.0
   72    62    66    47   0.20800  1.0 3.0
   72    62    66    63   0.86500  1.0 1.0
   72    62    66    63  -0.17500 -1.0 2.0
   72    62    66    63   0.20800  1.0 3.0
   72    62    66    67   3.69350  1.0 1.0
   72    62    66    67  -1.82950 -1.0 2.0
   72    62    68    69   0.23400  1.0 3.0
   72    62    68    70   0.23400  1.0 3.0
   72    62    68    71   0.23400  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
   38    30    36    37  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
END
