* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    110    165     326
    1     0 S   NP   _N1_     1    31.62983    98.50220   -20.06578
    2     1 S   H    _HN1     2     1.03425   126.89191    42.50261
    3     1 S   H    _H1_     3     1.03435   125.86458  -129.46797
    4     1 S   H    _H2_     4     1.02827    66.36924   136.38333
    5     1 S   CT   _CA1     5     1.50016    44.09687   -44.55433
    6     5 S   HC   _HA1     6     1.09718   105.27442    61.33671
    7     5 S   CO3  _C1_     7     1.54556   111.83513   -53.56550
    8     7 S   O2Z  _O11     8     1.26116   116.81986  -132.52726
    9     7 S   O2Z  _O12     9     1.26663   114.01249    47.93677
   10     5 S   CT   _CB1    10     1.53340   108.32215   178.40775
   11    10 S   HC   HB11    11     1.09810   109.43525    50.86914
   12    10 S   HC   HB12    12     1.09735   109.96825   166.35953
   13    10 S   CT   _CG1    13     1.53314   113.46534   -73.99269
   14    13 S   HC   HG11    14     1.09647   110.14949  -101.59864
   15    13 S   HC   HG12    15     1.09415   112.27038    16.39788
   16    13 S   C    _CD1    16     1.51370   110.42666   139.21995
   17    16 S   O    _OE1    17     1.22845   121.91655    81.26906
   18    16 S   N    _N2_    18     1.38179   112.72834   -96.53723
   19    18 S   H    _HN2    19     1.02097   119.11633    -2.07773
   20    18 S   CT1  _CA2    20     1.45967   123.30934   175.75052
   21    20 S   HC   _HA2    21     1.09699   108.71127    29.08985
   22    20 S   C    _C2_    22     1.53126   109.16222   -87.59270
   23    22 S   O    _O2_    23     1.23124   121.09606   155.67301
   24    20 S   CT   _CB2    32     1.53351   111.51302   152.21217
   25    24 S   HC   HB21    33     1.09180   109.45286    59.56500
   26    24 S   HC   HB22    34     1.09537   110.12535   177.46974
   27    22 S   N    _N3_    24     1.38247   114.41107   -31.58149
   28    27 S   H    _HN3    25     1.01642   119.27461     2.97289
   29    24 S   S    _SG2    35     1.82779   110.54838   -63.15244
   30    27 S   CT   _CA3    26     1.45221   123.23690  -177.65690
   31    30 S   HC   HA31    27     1.09553   108.20633   -47.76155
   32    30 S   HC   HA32    28     1.09552   107.27029    68.63785
   33    29 S   CT   _C9_    36     1.87287   102.71480   152.62204
   34    30 S   CO3  _C3_    29     1.52956   114.21073  -169.73883
   35    34 S   O2Z  _O31    30     1.26403   116.14485     7.87990
   36    34 S   O2Z  _O32    31     1.26441   114.39772  -172.25684
   37    33 S   CT   _C5_    37     1.54055   110.73319    57.54195
   38    37 S   HC   _H18    38     1.09552   111.75556   -56.25081
   39    37 S   HC   _H19    39     1.09711   110.86292  -174.37552
   40    33 S   CT   _C10    54     1.54852   110.04704   -63.06408
   41    40 S   HC   _H23    55     1.09602   110.63333  -175.11016
   42    40 S   HC   _H24    56     1.09379   111.61209    67.57622
   43    37 S   CO4  _C4_    40     1.51429   112.16307    66.31768
   44    43 S   O    _O10    41     1.23099   121.08094  -132.29234
   45    40 S   OS   _O15    57     1.42392   111.20599   -55.86762
   46    43 S   CT   _C6_    42     1.52082   116.60111    52.21228
   47    46 S   HC   _H20    43     1.09522   108.96317    73.14790
   48    45 S   P3   _P17    58     1.64900   118.12291   152.52129
   49    48 S   O2Z  _O8_    59     1.52646   104.53644   -62.59502
   50    48 S   O2Z  _O9_    60     1.52367   103.93370   178.22458
   51    48 S   O2Z  _O33    61     1.52386   104.60116    57.89310
   52    46 S   CT   _C7_    44     1.52831   110.76031   -49.78705
   53    52 S   HC   _H21    45     1.09603   109.35500   -74.58631
   54    46 S   OH   _O34    52     1.42152   109.26746  -169.74773
   55    54 S   HO   _H25    53     0.97293   107.41023   -58.36453
   56    33 S   CT   _C8_    46     1.56072   106.83630   176.99652
   57    56 S   HC   _H22    47     1.09723   110.45018    55.09766
   58    52 S   OH   _O13    50     1.43161   108.36941   170.19566
   59    58 S   HO   _H26    51     0.97258   107.49865  -176.77347
   60    56 S   OH   _O14    48     1.43542   110.32547   170.30276
   61    60 S   HO   _H27    49     0.97031   109.35256    68.22061
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  18   2   1   1  15   6   5  12   4   3   9   4   5  10   6   3
   2   1   1   9   6   3   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    52    56    57    60    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    46    52    53    56    57    60    61    58    40    41    42    45    48  
   35    36  
   36  
    0  
   38    39    43    44    46    47    52    56    57    60    54    40    41    42    45  
   39    43    44    46    56    40  
   43    44    46    56    40  
   41    42    45    48    49    50    51    43    52    56    57    60  
   42    45    48    56  
   45    48    56  
   44    46    47    52    53    56    58    54    55  
   46    47    52    54  
   48    49    50    51    56  
   47    52    53    56    57    60    58    59    54    55  
   52    53    56    58    54    55  
   49    50    51  
   50    51  
   51  
    0  
   53    56    57    60    61    58    59    54    55  
   56    57    60    58    59    54  
   55    56    58  
    0  
   57    60    61    58    59  
   60    61    58  
   59    60  
    0  
   61  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   49   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   50   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   51   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    56   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    46   317.000  1.522
   46    47   340.000  1.090
   46    52   268.000  1.529
   46    54   320.000  1.410
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    58   320.000  1.410
   56    57   340.000  1.090
   56    60   320.000  1.410
   60    61   553.000  0.945
   58    59   553.000  0.945
   54    55   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   320.000  1.410
   45    48   230.000  1.630
   48    49   525.000  1.516
   48    50   525.000  1.516
   48    51   525.000  1.516
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    56    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    56    52    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    60    50.00000  109.50000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    50.00000  109.50000
   37    43    44    80.00000  120.40000
   37    43    46    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    52    63.00000  111.10000
   43    46    54    90.00000  109.61100
   46    43    44    80.00000  120.40000
   46    52    53    37.50000  110.70000
   46    52    56    58.35000  112.70000
   46    52    58    50.00000  109.50000
   46    54    55    55.00000  108.50000
   52    46    47    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    60    50.00000  109.50000
   52    58    59    55.00000  108.50000
   56    33    37    58.35000  112.70000
   56    52    53    37.50000  110.70000
   56    60    61    55.00000  108.50000
   60    56    57    35.00000  109.50000
   58    52    53    35.00000  109.50000
   58    52    56    50.00000  109.50000
   54    46    47    35.00000  109.50000
   54    46    52    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    56    58.35000  112.70000
   40    45    48    80.00000  112.68000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    48    49   100.00000  107.00000
   45    48    50   100.00000  107.00000
   45    48    51   100.00000  107.00000
   50    48    49   140.00000  114.00000
   51    48    49   140.00000  114.00000
   51    48    50   140.00000  114.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    56    52   0.44750  1.0 1.0
   29    33    56    52  -0.17800 -1.0 2.0
   29    33    56    52   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    60   0.56750  1.0 1.0
   29    33    56    60  -0.07550 -1.0 2.0
   29    33    56    60   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    46   0.60050  1.0 1.0
   33    37    43    46   0.05600 -1.0 2.0
   33    37    43    46   0.26150  1.0 3.0
   33    56    60    61  -0.11600  1.0 1.0
   33    56    60    61  -0.09450 -1.0 2.0
   33    56    60    61   0.21250  1.0 3.0
   33    40    45    48  -2.65550  1.0 1.0
   33    40    45    48  -0.22350 -1.0 2.0
   33    40    45    48   0.24150  1.0 3.0
   37    33    56    52   0.56750  1.0 1.0
   37    33    56    52  -0.07550 -1.0 2.0
   37    33    56    52   0.20000  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    60   0.86500  1.0 1.0
   37    33    56    60  -0.17500 -1.0 2.0
   37    33    56    60   0.20800  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    45   0.62750  1.0 1.0
   37    33    40    45  -0.30950 -1.0 2.0
   37    33    40    45   0.27300  1.0 3.0
   37    43    46    47   0.00000  1.0 1.0
   37    43   -46    52   0.60050  1.0 1.0
   37    43   -46    52   0.05600 -1.0 2.0
   37    43   -46    52   0.26150  1.0 3.0
   37    43    46    54   0.55300  1.0 1.0
   37    43    46    54   1.25850 -1.0 2.0
   37    43    46    54  -0.23600  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    46   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    46   0.00000  1.0 1.0
   43    46    52    53  -0.11250  1.0 3.0
   43    46    52    56  -0.95700  1.0 1.0
   43    46    52    56  -0.18200 -1.0 2.0
   43    46    52    56   0.29450  1.0 3.0
   43    46    52    58  -0.09450  1.0 1.0
   43    46    52    58  -1.12950 -1.0 2.0
   43    46    52    58   0.54000  1.0 3.0
   43    46    54    55   0.91850  1.0 1.0
   43    46    54    55   0.57950  1.0 3.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    52   0.30150 -1.0 2.0
   44    43    46    54   0.30150 -1.0 2.0
   46    52   -56    33   0.56750  1.0 1.0
   46    52   -56    33  -0.07550 -1.0 2.0
   46    52   -56    33   0.20000  1.0 3.0
   46    52    56    57   0.15000  1.0 3.0
   46    52    56    60   0.86500  1.0 1.0
   46    52    56    60  -0.17500 -1.0 2.0
   46    52    56    60   0.20800  1.0 3.0
   46    52    58    59  -0.11600  1.0 1.0
   46    52    58    59  -0.09450 -1.0 2.0
   46    52    58    59   0.21250  1.0 3.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    56   0.15000  1.0 3.0
   47    46    52    58   0.23400  1.0 3.0
   47    46    54    55   0.19450  1.0 3.0
   52    46    54    55  -0.11600  1.0 1.0
   52    46    54    55  -0.09450 -1.0 2.0
   52    46    54    55   0.21250  1.0 3.0
   52    56    60    61  -0.11600  1.0 1.0
   52    56    60    61  -0.09450 -1.0 2.0
   52    56    60    61   0.21250  1.0 3.0
   53    52    56    33   0.15000  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    60   0.23400  1.0 3.0
   53    52    58    59   0.19450  1.0 3.0
   56    33    37    38   0.15000  1.0 3.0
   56    33    37    39   0.15000  1.0 3.0
   56    33   -37    43  -0.95700  1.0 1.0
   56    33   -37    43  -0.18200 -1.0 2.0
   56    33   -37    43   0.29450  1.0 3.0
   56    33    40    41   0.15000  1.0 3.0
   56    33    40    42   0.15000  1.0 3.0
   56    33    40    45   0.62750  1.0 1.0
   56    33    40    45  -0.30950 -1.0 2.0
   56    33    40    45   0.27300  1.0 3.0
   56    52    58    59  -0.11600  1.0 1.0
   56    52    58    59  -0.09450 -1.0 2.0
   56    52    58    59   0.21250  1.0 3.0
   57    56    60    61   0.19450  1.0 3.0
   58    52    56    33   0.86500  1.0 1.0
   58    52    56    33  -0.17500 -1.0 2.0
   58    52    56    33   0.20800  1.0 3.0
   58    52    56    57   0.23400  1.0 3.0
   58    52    56    60   3.75450  1.0 1.0
   54    46    52    53   0.23400  1.0 3.0
   54    46    52    56   0.86500  1.0 1.0
   54    46    52    56  -0.17500 -1.0 2.0
   54    46    52    56   0.20800  1.0 3.0
   54    46    52    58   3.75450  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    56    52   0.56750  1.0 1.0
   40    33    56    52  -0.07550 -1.0 2.0
   40    33    56    52   0.20000  1.0 3.0
   40    33    56    57   0.15000  1.0 3.0
   40    33    56    60   0.86500  1.0 1.0
   40    33    56    60  -0.17500 -1.0 2.0
   40    33    56    60   0.20800  1.0 3.0
   40    45    48    49   0.00000  1.0 1.0
   40    45    48    50   0.00000  1.0 1.0
   40    45    48    51   0.00000  1.0 1.0
   41    40    45    48   0.03000  1.0 3.0
   42    40    45    48   0.03000  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
   36    30    34    35  10.50000 -1.0 2.0
   37    46    43    44  10.50000 -1.0 2.0
END
