* LIGAND DATABASE FILE (OPLS2005)
*
001      62    64    114    190     342
    1     0 S   NP   _N1_     1    28.73562    95.71257   -23.23773
    2     1 S   H    _HN1     2     1.02787   104.15344   -96.59878
    3     1 S   H    _H1_     3     1.02949    76.79503     9.34155
    4     1 S   H    _H2_     4     1.02828    33.88250   162.28814
    5     1 S   CT   _CA1     5     1.50116   137.40357   115.23309
    6     5 S   HC   _HA1     6     1.09574   105.18512    85.12203
    7     5 S   CO3  _C1_     7     1.53780   112.47047   -35.09949
    8     7 S   O2Z  _O11     8     1.26372   115.00314   -42.42451
    9     7 S   O2Z  _O12     9     1.26240   114.94368   136.67503
   10     5 S   CT   _CB1    10     1.53074   107.41635  -156.90266
   11    10 S   HC   HB11    11     1.09835   109.34986   -49.69486
   12    10 S   HC   HB12    12     1.09812   110.46000    66.90873
   13    10 S   CT   _CG1    13     1.52995   112.61520  -170.66615
   14    13 S   HC   HG11    14     1.09579   110.65451   -66.25344
   15    13 S   HC   HG12    15     1.09671   109.76294    52.98170
   16    13 S   C    _CD1    16     1.51801   112.17798   173.43215
   17    16 S   O    _OE1    17     1.22737   123.26951     8.29010
   18    16 S   N    _N2_    18     1.38651   111.70198  -171.79034
   19    18 S   H    _HN2    19     1.01577   118.95529     1.49881
   20    18 S   CT1  _CA2    20     1.46210   123.38273   177.09546
   21    20 S   HC   _HA2    21     1.09740   109.36993     3.74188
   22    20 S   C    _C2_    22     1.53609   108.53950  -111.71577
   23    22 S   O    _O2_    23     1.23060   122.31654  -147.61457
   24    20 S   CT   _CB2    32     1.53487   111.70869   125.77994
   25    24 S   HC   HB21    33     1.09480   109.40785    56.27448
   26    24 S   HC   HB22    34     1.09157   109.49072   174.96931
   27    22 S   N    _N3_    24     1.38337   113.71626    39.79659
   28    27 S   H    _HN3    25     1.01573   119.60212    -3.22270
   29    24 S   S    _SG2    35     1.82842   111.14340   -63.95442
   30    27 S   CT   _CA3    26     1.45284   123.22777   177.21280
   31    30 S   HC   HA31    27     1.09548   107.50124   -64.91122
   32    30 S   HC   HA32    28     1.09556   107.99928    51.53389
   33    29 S   CT   _C12    36     1.90076   102.53552  -168.37514
   34    30 S   CO3  _C3_    29     1.52964   114.07108   173.54159
   35    34 S   O2Z  _O31    30     1.26378   116.07782    -0.56614
   36    34 S   O2Z  _O32    31     1.26429   114.41200   179.49526
   37    33 S   CA   _C7_    37     1.51259   108.76822   -55.44316
   38    33 S   CT   _C11    49     1.56889   109.56408  -162.14555
   39    38 S   HC   _H3_    50     1.10618   109.47684  -174.74786
   40    37 S   CA   _C6_    38     1.38443   129.48235    91.43287
   41    40 S   HA   _H8_    39     1.08485   121.43759     3.56815
   42    38 S   CM   _C16    51     1.48698   113.64791   -58.61013
   43    42 S   HC   _H11    52     1.08446   120.28658   149.06789
   44    40 S   CA   _C5_    40     1.40001   118.41410  -174.80714
   45    44 S   HA   _H7_    41     1.08735   119.51772   179.36604
   46    42 S   CM   _C15    53     1.34484   118.69221   -34.60833
   47    46 S   HC   _H10    54     1.08647   119.06912  -178.44543
   48    44 S   CA   _C4_    42     1.40755   121.10877    -0.11535
   49    48 S   HA   _H6_    43     1.08703   119.45816   179.97202
   50    46 S   CT   _C14    55     1.51710   123.27740     3.33448
   51    50 S   HC   _H5_    56     1.09695   108.35753   120.55943
   52    48 S   CA   _C9_    44     1.39456   120.78454    -0.86048
   53    52 S   HA   _H9_    45     1.08371   121.15352  -177.88123
   54    33 S   CT   _C13    57     1.54231   112.32546    82.42940
   55    54 S   HC   _H4_    58     1.09856   109.44086  -179.54372
   56    50 S   OH   _O34    61     1.42874   109.27545  -124.09482
   57    56 S   HO   _H12    62     0.97259   107.72955   -55.02859
   58    37 S   CA   _C8_    46     1.40637   111.04805   -85.00940
   59    54 S   OH   _O35    59     1.42527   111.84925   -63.02680
   60    59 S   HO   _H13    60     0.97333   107.15005   178.39453
   61    58 S   CO4  _C10    47     1.46617   107.78543    -9.69258
   62    61 S   O    _O33    48     1.21400   125.77401   169.65485
  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  12   5   4   3
  20   2   1   1  17  14   7   9   4  10   4   6   3   9   4   5
   3   7   5   4   2   7   3   2   1   2   1   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    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    58    61    38    39    42    50    54    55    59  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44    52    58    61    62    38    39    42    43    46    50    51    54    55    59    60    56  
   35    36  
   36  
    0  
   40    41    44    45    48    52    53    58    61    62    38    39    42    50    54    55    59  
   39    42    43    46    47    50    54    55    59    40    52    58    61    62  
   42    43    46    54    58    61    62  
   41    44    45    48    49    52    58    61    54  
   44    45    48    58  
   43    46    47    50    51    54    56    58    61    62  
   46    47    50    61  
   45    48    49    52    53    58  
   48    49    52  
   47    50    51    54    55    59    56    57    61  
   50    51    54    56  
   49    52    53    58    61  
   52    53    58  
   51    54    55    59    60    56    57  
   54    55    59    56    57  
   53    58    61    62  
   58    61  
   55    59    60    56    57    58    61  
   59    60    56  
   57    59  
    0  
   61    62  
   60  
    0  
   62  
    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   0.282500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   317.000  1.510
   33    38   268.000  1.529
   33    54   268.000  1.529
   37    40   469.000  1.400
   37    58   469.000  1.400
   40    41   367.000  1.080
   40    44   469.000  1.400
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    58   469.000  1.400
   58    61   310.000  1.470
   61    62   570.000  1.229
   61    38   317.000  1.522
   38    39   340.000  1.090
   38    42   317.000  1.510
   42    43   340.000  1.080
   42    46   549.000  1.340
   46    47   340.000  1.080
   46    50   317.000  1.510
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    56   320.000  1.410
   54    55   340.000  1.090
   54    59   320.000  1.410
   59    60   553.000  0.945
   56    57   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    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    80.00000  109.48900
   29    33    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    37    40    70.00000  120.00000
   33    37    58    70.00000  120.00000
   33    38    61    63.00000  111.10000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.02700
   33    54    50    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    59    50.00000  109.50000
   37    40    41    35.00000  120.00000
   37    40    44    63.00000  120.00000
   37    58    52    63.00000  120.00000
   37    58    61    60.00000  119.52600
   40    44    45    35.00000  120.00000
   40    44    48    63.00000  120.00000
   44    40    41    35.00000  120.00000
   44    48    49    35.00000  120.00000
   44    48    52    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    58    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    58    61    60.00000  119.52600
   58    37    40    63.00000  120.00000
   58    52    53    35.00000  120.00000
   58    61    62    75.00000  123.78400
   58    61    38    65.00000  115.47100
   61    38    39    35.00000  109.50000
   61    38    42    70.00000  109.06800
   38    33    37    70.00000  112.17500
   38    61    62    80.00000  120.40000
   38    42    43    35.00000  117.00000
   38    42    46    70.00000  124.00000
   42    38    39    35.00000  109.50000
   42    46    47    35.00000  120.00000
   42    46    50    70.00000  124.00000
   46    42    43    35.00000  120.00000
   46    50    51    35.00000  109.50000
   46    50    54    70.00000  112.02700
   46    50    56    90.00000  110.39200
   50    46    47    35.00000  117.00000
   50    54    55    37.50000  110.70000
   50    54    59    50.00000  109.50000
   50    56    57    55.00000  108.50000
   54    33    37    70.00000  112.17500
   54    33    38    58.35000  112.70000
   54    50    51    37.50000  110.70000
   54    59    60    55.00000  108.50000
   59    54    55    35.00000  109.50000
   56    50    51    35.00000  109.50000
   56    50    54    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    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    58  -0.16000  1.0 1.0
   29    33    37    58  -0.03200 -1.0 2.0
   29    33    37    58   0.04500  1.0 3.0
   29    33    38    61   0.56750  1.0 1.0
   29    33    38    61  -0.07550 -1.0 2.0
   29    33    38    61   0.20000  1.0 3.0
   29    33    38    39   0.15000  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    54    50   0.44750  1.0 1.0
   29    33    54    50  -0.17800 -1.0 2.0
   29    33    54    50   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    59   0.56750  1.0 1.0
   29    33    54    59  -0.07550 -1.0 2.0
   29    33    54    59   0.20000  1.0 3.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    44   3.62500 -1.0 2.0
   33    37    58    52   3.62500 -1.0 2.0
   33    37   -58    61   3.62500 -1.0 2.0
   33    38    42    43   0.00000  1.0 1.0
   33    38    42    46   0.09850  1.0 1.0
   33    38    42    46   0.15250 -1.0 2.0
   33    38    42    46  -0.50650  1.0 3.0
   33    54    59    60  -0.11600  1.0 1.0
   33    54    59    60  -0.09450 -1.0 2.0
   33    54    59    60   0.21250  1.0 3.0
   37    33   -38    61   0.56750  1.0 1.0
   37    33   -38    61  -0.07550 -1.0 2.0
   37    33   -38    61   0.20000  1.0 3.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    42   0.21200  1.0 1.0
   37    33    38    42   0.16900 -1.0 2.0
   37    33    38    42  -1.15100  1.0 3.0
   37    33    54    50  -0.03700  1.0 1.0
   37    33    54    50   0.37200 -1.0 2.0
   37    33    54    50  -0.47300  1.0 3.0
   37    33    54    55   0.43200  1.0 3.0
   37    33    54    59   1.13150  1.0 1.0
   37    33    54    59  -1.01400 -1.0 2.0
   37    40    44    45   3.62500 -1.0 2.0
   37    40    44    48   3.62500 -1.0 2.0
   37    58    61    62   1.05000 -1.0 2.0
   37    58   -61    38   2.26350  1.0 1.0
   37    58   -61    38   0.76750 -1.0 2.0
   37    58   -61    38   0.22500  1.0 3.0
   40    37    58    52   3.62500 -1.0 2.0
   40    37    58    61   3.62500 -1.0 2.0
   40    44    48    49   3.62500 -1.0 2.0
   40    44   -48    52   3.62500 -1.0 2.0
   41    40    44    45   3.62500 -1.0 2.0
   41    40    44    48   3.62500 -1.0 2.0
   44    48    52    53   3.62500 -1.0 2.0
   44    48    52    58   3.62500 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    52   3.62500 -1.0 2.0
   48    52   -58    37   3.62500 -1.0 2.0
   48    52    58    61   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    58   3.62500 -1.0 2.0
   52    58    61    62   1.05000 -1.0 2.0
   52    58    61    38   2.26350  1.0 1.0
   52    58    61    38   0.76750 -1.0 2.0
   52    58    61    38   0.22500  1.0 3.0
   53    52    58    37   3.62500 -1.0 2.0
   53    52    58    61   3.62500 -1.0 2.0
   58    37    40    41   3.62500 -1.0 2.0
   58    37   -40    44   3.62500 -1.0 2.0
   58    61   -38    33   0.05850 -1.0 2.0
   58    61   -38    33   0.17250  1.0 3.0
   58    61    38    39   0.00000  1.0 1.0
   58    61    38    42   0.65300  1.0 1.0
   58    61    38    42  -0.03850 -1.0 2.0
   58    61    38    42   0.33900  1.0 3.0
   61    38    42    43   0.00000  1.0 1.0
   61    38    42    46  -0.51250  1.0 1.0
   61    38    42    46  -0.88800 -1.0 2.0
   61    38    42    46   0.08850  1.0 3.0
   62    61    38    33   0.30150 -1.0 2.0
   62    61    38    39   0.00000  1.0 1.0
   62    61    38    42   0.30150 -1.0 2.0
   38    33    37    40   0.04150 -1.0 2.0
   38    33   -37    58   0.04150 -1.0 2.0
   38    33    54    50   0.56750  1.0 1.0
   38    33    54    50  -0.07550 -1.0 2.0
   38    33    54    50   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    59   0.86500  1.0 1.0
   38    33    54    59  -0.17500 -1.0 2.0
   38    33    54    59   0.20800  1.0 3.0
   38    42    46    47   7.00000 -1.0 2.0
   38    42   -46    50   7.00000 -1.0 2.0
   39    38    42    43   0.33100  1.0 3.0
   39    38    42    46   0.00000  1.0 1.0
   42    46    50    51   0.00000  1.0 1.0
   42    46    50    54   0.09850  1.0 1.0
   42    46    50    54   0.15250 -1.0 2.0
   42    46    50    54  -0.50650  1.0 3.0
   42    46    50    56   0.67800  1.0 1.0
   42    46    50    56   0.47050 -1.0 2.0
   42    46    50    56  -0.62500  1.0 3.0
   43    42    46    47   7.00000 -1.0 2.0
   43    42    46    50   7.00000 -1.0 2.0
   46    50   -54    33   0.34400  1.0 1.0
   46    50   -54    33   0.09450 -1.0 2.0
   46    50   -54    33   0.11100  1.0 3.0
   46    50    54    55   0.15000  1.0 3.0
   46    50    54    59   1.05650  1.0 1.0
   46    50    54    59   0.15600 -1.0 2.0
   46    50    54    59   0.53150  1.0 3.0
   46    50    56    57  -0.07800  1.0 1.0
   46    50    56    57  -0.21500 -1.0 2.0
   46    50    56    57  -0.03150  1.0 3.0
   47    46    50    51   0.33100  1.0 3.0
   47    46    50    54   0.00000  1.0 1.0
   47    46    50    56   0.00000  1.0 1.0
   50    54    59    60  -0.11600  1.0 1.0
   50    54    59    60  -0.09450 -1.0 2.0
   50    54    59    60   0.21250  1.0 3.0
   51    50    54    33   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    59   0.23400  1.0 3.0
   51    50    56    57   0.19450  1.0 3.0
   54    33    37    40   0.04150 -1.0 2.0
   54    33    37    58   0.04150 -1.0 2.0
   54    33    38    61  -0.95700  1.0 1.0
   54    33    38    61  -0.18200 -1.0 2.0
   54    33    38    61   0.29450  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    42   0.34400  1.0 1.0
   54    33   -38    42   0.09450 -1.0 2.0
   54    33   -38    42   0.11100  1.0 3.0
   54    50    56    57  -0.11600  1.0 1.0
   54    50    56    57  -0.09450 -1.0 2.0
   54    50    56    57   0.21250  1.0 3.0
   55    54    59    60   0.19450  1.0 3.0
   56    50    54    33   0.86500  1.0 1.0
   56    50    54    33  -0.17500 -1.0 2.0
   56    50    54    33   0.20800  1.0 3.0
   56    50    54    55   0.23400  1.0 3.0
   56    50    54    59   3.75450  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   40    58    37    33   4.00000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   48    45    44    40   1.10000 -1.0 2.0
   52    49    48    44   1.10000 -1.0 2.0
   58    53    52    48   1.10000 -1.0 2.0
   52    61    58    37   4.00000 -1.0 2.0
   58    38    61    62  10.50000 -1.0 2.0
   38    43    42    46   1.10000 -1.0 2.0
   50    47    46    42   1.10000 -1.0 2.0
END
