* LIGAND DATABASE FILE (OPLS2005)
*
001      65    66    120    180     348
    1     0 S   NP   _N1_     1    28.70647    96.29005   -23.12254
    2     1 S   H    _HN1     2     1.02785   103.42982   -97.52169
    3     1 S   H    _H1_     3     1.02949    74.11279     8.07190
    4     1 S   H    _H2_     4     1.02828    36.95191   160.47517
    5     1 S   CT   _CA1     5     1.50111   139.52792   111.06432
    6     5 S   HC   _HA1     6     1.09573   105.19760    88.45633
    7     5 S   CO3  _C1_     7     1.53789   112.46919   -31.78531
    8     7 S   O2Z  _O11     8     1.26372   115.00719   -42.41501
    9     7 S   O2Z  _O12     9     1.26241   114.94998   136.72936
   10     5 S   CT   _CB1    10     1.53079   107.42214  -153.55330
   11    10 S   HC   HB11    11     1.09832   109.37972   -49.70012
   12    10 S   HC   HB12    12     1.09813   110.44402    66.91239
   13    10 S   CT   _CG1    13     1.52987   112.59962  -170.67738
   14    13 S   HC   HG11    14     1.09581   110.62602   -65.50802
   15    13 S   HC   HG12    15     1.09670   109.78887    53.72087
   16    13 S   C    _CD1    16     1.51799   112.24052   174.18062
   17    16 S   O    _OE1    17     1.22728   123.28633     6.62928
   18    16 S   N    _N2_    18     1.38652   111.65340  -173.42595
   19    18 S   H    _HN2    19     1.01573   118.94106     1.84079
   20    18 S   CT1  _CA2    20     1.46226   123.43271   177.62109
   21    20 S   HC   _HA2    21     1.09737   109.34529     3.69141
   22    20 S   C    _C2_    22     1.53589   108.63546  -111.78380
   23    22 S   O    _O2_    23     1.23060   122.30461  -148.09452
   24    20 S   CT   _CB2    32     1.53403   111.57580   125.69894
   25    24 S   HC   HB21    33     1.09460   109.72347    55.94216
   26    24 S   HC   HB22    34     1.09493   110.04471   175.13248
   27    22 S   N    _N3_    24     1.38340   113.73917    39.36926
   28    27 S   H    _HN3    25     1.01574   119.59396    -3.23483
   29    24 S   S    _SG2    35     1.82716   111.39740   -64.77050
   30    27 S   CT   _CA3    26     1.45285   123.21244   177.14995
   31    30 S   HC   HA31    27     1.09549   107.50803   -64.68871
   32    30 S   HC   HA32    28     1.09557   107.98883    51.74999
   33    29 S   CT   _C10    36     1.85480   100.27758  -168.77575
   34    33 S   HC   _H5_    37     1.09635   105.61334    46.99494
   35    30 S   CO3  _C3_    29     1.52959   114.08406   173.75415
   36    35 S   O2Z  _O31    30     1.26377   116.07593    -0.53522
   37    35 S   O2Z  _O32    31     1.26430   114.40999   179.52317
   38    33 S   CT   _C11    38     1.54569   110.35438   -73.29550
   39    38 S   HC   _H6_    39     1.09720   110.68529   -32.75801
   40    38 S   CM   _C12    40     1.50359   114.50816  -154.13342
   41    40 S   HC   _H14    41     1.08719   117.38198  -174.61340
   42    38 S   OH   _O33    64     1.42803   108.70033    85.24671
   43    42 S   HO   _H16    65     0.97245   107.85121  -175.67722
   44    40 S   CM   _C13    42     1.33981   124.07500     5.87089
   45    44 S   HC   _H15    43     1.08700   118.79349   179.77186
   46    44 S   CT   _C8_    44     1.50024   123.19244     0.89787
   47    46 S   HC   _H3_    45     1.09603   110.04208   139.58805
   48    33 S   CT   _C9_    46     1.54362   108.58595   164.41913
   49    48 S   HC   _H4_    47     1.09954   108.84454    57.60275
   50    46 S   S    _S1_    50     1.84438   108.37288  -103.37181
   51    48 S   OH   _O34    48     1.42901   110.83351   -59.44594
   52    51 S   HO   _H17    49     0.97219   107.69137  -179.45177
   53    50 S   CT   _C7_    51     1.82249    99.69441   -76.98478
   54    53 S   HC   _H12    52     1.09439   109.48544    61.77678
   55    53 S   HC   _H13    53     1.09445   108.79958   -56.39163
   56    53 S   CT   _C6_    54     1.52838   109.89453  -177.31992
   57    56 S   HC   _H10    55     1.09849   109.69106   -57.70307
   58    56 S   HC   _H11    56     1.09746   110.36603    59.44015
   59    56 S   C3T  _C5_    57     1.50628   111.64080  -179.53438
   60    59 S   NN   _N4_    58     1.42574   117.46444   135.23252
   61    59 S   CT   _C4_    60     1.49539   117.96143   -75.10934
   62    61 S   HC   _H7_    61     1.09580   111.89546  -174.25021
   63    61 S   HC   _H8_    62     1.09436   110.72960    65.69321
   64    61 S   HC   _H9_    63     1.09478   110.47482   -54.28768
   65    59 S   NN   _N5_    59     1.42505   117.86412    76.26085
  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
  15   8   2   1   1  11   6   9   4   3   1   8   4  10   5   5
   3   8   1   1   9   5   4   9   5   4   6   5   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    48    49    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    46    47    48    49    51    52    50    42    43  
   38    39    40    46    48    49    51    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    48    49    51    42    43  
   40    41    44    48    42    43  
   41    44    45    46    47    48    50    42    43  
   44    45    46    42  
   43    44    48  
    0  
   45    46    47    48    49    51    50    53  
   46    47    48    50  
   47    48    49    51    52    50    53    54    55    56  
   48    49    51    50    53  
   49    51    52    50    53  
   51    52    50  
   53    54    55    56    57    58    59    51  
   52  
    0  
   54    55    56    57    58    59    60    65    61  
   55    56    57    58    59  
   56    57    58    59  
   57    58    59    60    65    61    62    63    64  
   58    59    60    65    61  
   59    60    65    61  
   60    65    61    62    63    64  
   65    61    62    63    64  
   62    63    64    65  
   63    64    65  
   64    65  
   65  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.047500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.245000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.2500   0.1700  -0.122500   1.8375   1.6250   0.005000000   0.000000000
   61   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.2500   0.1700  -0.122500   1.8375   1.6250   0.005000000   0.000000000
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    48   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    42   320.000  1.410
   40    41   340.000  1.080
   40    44   549.000  1.340
   44    45   340.000  1.080
   44    46   317.000  1.510
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   222.000  1.810
   48    49   340.000  1.090
   48    51   320.000  1.410
   51    52   553.000  0.945
   50    53   222.000  1.810
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   275.000  1.510
   59    60   255.000  1.500
   59    65   255.000  1.500
   59    61   275.000  1.510
   60    65   470.000  1.265
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   42    43   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    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    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    42    50.00000  109.50000
   33    48    46    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    51    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    35.00000  117.00000
   38    40    44    70.00000  124.00000
   38    42    43    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    44    45    35.00000  120.00000
   40    44    46    70.00000  124.00000
   44    40    41    35.00000  120.00000
   44    46    47    35.00000  109.50000
   44    46    48    70.00000  112.02700
   44    46    50    75.00000  112.20000
   46    44    45    35.00000  117.00000
   46    48    49    37.50000  110.70000
   46    48    51    50.00000  109.50000
   46    50    53    62.00000   98.90000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    51    52    55.00000  108.50000
   51    48    49    35.00000  109.50000
   50    46    47    35.00000  109.50000
   50    46    48    75.00000  111.63000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    75.00000  111.63000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    70.00000  112.37300
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    85.00000  105.04000
   56    59    65    85.00000  105.04000
   56    59    61    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    45.00000  109.38400
   59    56    58    45.00000  109.38400
   59    60    65    10.00000   60.00000
   59    65    60    10.00000   60.00000
   59    61    62    45.00000  109.38400
   59    61    63    45.00000  109.38400
   59    61    64    45.00000  109.38400
   65    59    60    10.00000   60.00000
   61    59    60    85.00000  105.04000
   61    59    65    85.00000  105.04000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  110.39200
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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    48    46   0.44750  1.0 1.0
   29    33    48    46  -0.17800 -1.0 2.0
   29    33    48    46   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.56750  1.0 1.0
   29    33    48    51  -0.07550 -1.0 2.0
   29    33    48    51   0.20000  1.0 3.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    44   0.09850  1.0 1.0
   33    38    40    44   0.15250 -1.0 2.0
   33    38    40    44  -0.50650  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    48    51    52  -0.11600  1.0 1.0
   33    48    51    52  -0.09450 -1.0 2.0
   33    48    51    52   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    48    46   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    51   0.23400  1.0 3.0
   38    33    48    46   0.56750  1.0 1.0
   38    33    48    46  -0.07550 -1.0 2.0
   38    33    48    46   0.20000  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    51   0.86500  1.0 1.0
   38    33    48    51  -0.17500 -1.0 2.0
   38    33    48    51   0.20800  1.0 3.0
   38    40    44    45   7.00000 -1.0 2.0
   38    40   -44    46   7.00000 -1.0 2.0
   39    38    40    41   0.33100  1.0 3.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.07800  1.0 1.0
   40    38    42    43  -0.21500 -1.0 2.0
   40    38    42    43  -0.03150  1.0 3.0
   40    44    46    47   0.00000  1.0 1.0
   40    44    46    48   0.09850  1.0 1.0
   40    44    46    48   0.15250 -1.0 2.0
   40    44    46    48  -0.50650  1.0 3.0
   40    44    46    50   0.42700  1.0 1.0
   40    44    46    50  -0.70350 -1.0 2.0
   40    44    46    50  -0.43150  1.0 3.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    46   7.00000 -1.0 2.0
   44    46   -48    33   0.34400  1.0 1.0
   44    46   -48    33   0.09450 -1.0 2.0
   44    46   -48    33   0.11100  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    51   1.05650  1.0 1.0
   44    46    48    51   0.15600 -1.0 2.0
   44    46    48    51   0.53150  1.0 3.0
   44    46    50    53  -0.62250  1.0 1.0
   44    46    50    53  -0.38450 -1.0 2.0
   44    46    50    53   0.81900  1.0 3.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    48   0.00000  1.0 1.0
   45    44    46    50   0.00000  1.0 1.0
   46    48    51    52  -0.11600  1.0 1.0
   46    48    51    52  -0.09450 -1.0 2.0
   46    48    51    52   0.21250  1.0 3.0
   46    50    53    54   0.32350  1.0 3.0
   46    50    53    55   0.32350  1.0 3.0
   46    50    53    56   0.01700  1.0 1.0
   46    50    53    56  -0.23550 -1.0 2.0
   46    50    53    56   0.21350  1.0 3.0
   47    46    48    33   0.15000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    51   0.23400  1.0 3.0
   47    46    50    53   0.32350  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   0.34400  1.0 1.0
   48    33   -38    40   0.09450 -1.0 2.0
   48    33   -38    40   0.11100  1.0 3.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    46    50    53   0.01700  1.0 1.0
   48    46    50    53  -0.23550 -1.0 2.0
   48    46    50    53   0.21350  1.0 3.0
   49    48    51    52   0.19450  1.0 3.0
   50    46    48    33   0.44750  1.0 1.0
   50    46    48    33  -0.17800 -1.0 2.0
   50    46    48    33   0.20200  1.0 3.0
   50    46    48    49   0.15000  1.0 3.0
   50    46    48    51   0.56750  1.0 1.0
   50    46    48    51  -0.07550 -1.0 2.0
   50    46    48    51   0.20000  1.0 3.0
   50    53    56    57   0.15000  1.0 3.0
   50    53    56    58   0.15000  1.0 3.0
   50    53    56    59   0.44750  1.0 1.0
   50    53    56    59  -0.17800 -1.0 2.0
   50    53    56    59   0.20200  1.0 3.0
   53    56    59    60   0.56750  1.0 1.0
   53    56    59    60  -0.07550 -1.0 2.0
   53    56    59    60   0.20000  1.0 3.0
   53    56    59    65   0.56750  1.0 1.0
   53    56    59    65  -0.07550 -1.0 2.0
   53    56    59    65   0.20000  1.0 3.0
   53    56    59    61   0.56750  1.0 1.0
   53    56    59    61  -0.07550 -1.0 2.0
   53    56    59    61   0.20000  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   56    59   -60    65   0.00000  1.0 1.0
   56    59   -65    60   0.00000  1.0 1.0
   56    59    61    62   0.15000  1.0 3.0
   56    59    61    63   0.15000  1.0 3.0
   56    59    61    64   0.15000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    65   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    65   0.15000  1.0 3.0
   58    56    59    61   0.15000  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
   65    59    61    62   0.15000  1.0 3.0
   65    59    61    63   0.15000  1.0 3.0
   65    59    61    64   0.15000  1.0 3.0
   61    59   -60    65   0.00000  1.0 1.0
   61    59   -65    60   0.00000  1.0 1.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    44   0.67800  1.0 1.0
   42    38    40    44   0.47050 -1.0 2.0
   42    38    40    44  -0.62500  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    41    40    44   1.10000 -1.0 2.0
   46    45    44    40   1.10000 -1.0 2.0
END
