* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    113    158     322
    1     0 S   NP   _N1_     1    30.76814    88.84100   -21.39383
    2     1 S   H    _HN1     2     1.03429   124.00800    78.87055
    3     1 S   H    _H1_     3     1.02643    27.60931    18.70890
    4     1 S   H    _H2_     4     1.03640   117.27725   -55.97454
    5     1 S   CT   _CA1     5     1.49587    85.32255  -167.80347
    6     5 S   HC   _HA1     6     1.09590   105.07748    62.20247
    7     5 S   CO3  _C1_     7     1.53715   113.10510   -57.95752
    8     7 S   O2Z  _O11     8     1.26305   115.60082   -52.40590
    9     7 S   O2Z  _O12     9     1.26382   114.76722   127.14515
   10     5 S   CT   _CB1    10     1.52992   107.26465   179.77619
   11    10 S   HC   HB11    11     1.09827   109.51068   -49.07886
   12    10 S   HC   HB12    12     1.09815   110.46239    67.10677
   13    10 S   CT   _CG1    13     1.52997   112.88156  -170.20849
   14    13 S   HC   HG11    14     1.09544   111.26457   -67.49322
   15    13 S   HC   HG12    15     1.09584   110.92767    52.15476
   16    13 S   C    _CD1    16     1.51277   109.22894   171.24124
   17    16 S   O    _OE1    17     1.22883   121.78543   -94.04645
   18    16 S   N    _N2_    18     1.38397   113.08242    83.22533
   19    18 S   H    _HN2    19     1.01565   119.56992     6.61032
   20    18 S   CT1  _CA2    20     1.45515   122.07956  -171.41551
   21    20 S   HC   _HA2    21     1.09706   107.99223    33.45342
   22    20 S   C    _C2_    22     1.52984   108.11953   -83.63867
   23    22 S   O    _O2_    23     1.22946   123.12267   -26.78415
   24    20 S   CT   _CB2    32     1.53320   112.99718   155.68263
   25    24 S   HC   HB21    33     1.09671   109.78864    72.68180
   26    24 S   HC   HB22    34     1.09599   110.08584  -170.81710
   27    22 S   N    _N3_    24     1.38514   112.43297   156.07288
   28    27 S   H    _HN3    25     1.01640   120.37086    -2.61502
   29    24 S   S    _SG2    35     1.82846   116.32835   -47.62980
   30    27 S   CT   _CA3    26     1.45351   122.55256   178.52475
   31    30 S   HC   HA31    27     1.09567   107.82814   -55.54677
   32    30 S   HC   HA32    28     1.09561   107.62171    60.82663
   33    29 S   CT   _C9_    36     1.82788   100.86412   -49.33810
   34    33 S   HC   _H10    37     1.09454   108.40407   -47.43833
   35    33 S   HC   _H11    38     1.09315   108.02163    71.34962
   36    30 S   CO3  _C3_    29     1.52908   114.22083  -177.47175
   37    36 S   O2Z  _O31    30     1.26352   116.02591    -0.91365
   38    36 S   O2Z  _O32    31     1.26425   114.43287   179.06121
   39    33 S   CT   _C8_    39     1.53316   109.83235  -168.78709
   40    39 S   HC   _H6_    40     1.09608   111.46593   -40.54386
   41    39 S   CT   _C7_    41     1.53001   112.20948  -165.44312
   42    41 S   HC   _H5_    42     1.09424   114.39677    32.63431
   43    41 S   CT   _C6_    43     1.51491   102.02401   -89.28550
   44    43 S   HC   _H4_    44     1.09661   109.79500    79.16392
   45    41 S   OS   _O34    54     1.42947   108.64644   155.34147
   46    43 S   CT   _C5_    45     1.51930   101.55598   -38.21561
   47    46 S   HC   _H3_    46     1.09706   111.12583   -81.73526
   48    43 S   OH   _O41    52     1.41361   113.79290  -158.86738
   49    48 S   HO   _H12    53     0.97334   107.61425   -41.55751
   50    45 S   P2   _P1_    55     1.63627   118.74422   -98.45673
   51    50 S   O2Z  _O36    56     1.51271   107.68983   177.20012
   52    50 S   O2Z  _O35    57     1.51371   108.58280    44.89931
   53    39 S   OS   _O33    47     1.44974   108.29467    77.78191
   54    46 S   CT   _C4_    48     1.51824   113.31350   155.41375
   55    54 S   HC   _H7_    49     1.09555   111.01225   -60.15219
   56    54 S   HC   _H8_    50     1.09523   110.29246  -177.99504
   57    54 S   HC   _H9_    51     1.09395   111.34366    61.24348
   58    50 S   OS   _O37    58     1.62763    98.54205   -69.57454
   59    58 S   P3   _P2_    59     1.64068   131.40014   161.78262
   60    59 S   O2Z  _O39    60     1.52466   103.81719   164.48536
   61    59 S   O2Z  _O40    61     1.52366   104.92701    44.04376
   62    59 S   O2Z  _O38    62     1.52558   104.27855   -75.91642
  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   7   5   4   3
  10   5   4   2   1   1  12   6  14   7  12   7   8   8   6   3
   1   7   3   2   4   3   2   1   1   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    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    41    53  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    53    45  
   35    39    40    41    53  
   39    40    41    53  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    53    54    48    45    50  
   41    42    43    46    53    45  
   42    43    44    46    47    53    54    48    49    45    50    51    52    58  
   43    44    46    53    48    45    50  
   44    46    47    53    54    55    56    57    48    49    45    50  
   46    47    53    54    48    49    45  
   50    51    52    58    59    46    48    53  
   47    53    54    55    56    57    48    49  
   53    54    55    56    57    48  
   49    53    54  
    0  
   51    52    58    59    60    61    62  
   52    58    59  
   58    59  
   54    55    56    57  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62  
   60    61    62  
   61    62  
   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   0.047500   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7400   0.2000   1.331700   2.1070   1.8700   0.005000000   0.000000000
   51   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.8500   0.1400  -0.494300   1.5900   1.4000   0.020110767  -0.896042159
   59   3.7400   0.2000   1.872500   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   61   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   62   2.9800   0.2000  -1.119967   1.6890   1.4900   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    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   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    53   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    53   320.000  1.410
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   48    49   553.000  0.945
   45    50   230.000  1.697
   50    51   525.000  1.480
   50    52   525.000  1.480
   50    58   230.000  1.697
   58    59   230.000  1.630
   59    60   525.000  1.516
   59    61   525.000  1.516
   59    62   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    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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    53    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    53    46    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    46    58.35000  112.70000
   41    43    48    50.00000  109.50000
   41    45    50   100.00000  120.50000
   43    41    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    53    50.00000  109.50000
   43    46    54    58.35000  112.70000
   43    48    49    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    54    55    37.50000  110.70000
   46    54    56    37.50000  110.70000
   46    54    57    37.50000  110.70000
   53    39    40    35.00000  109.50000
   53    39    41    50.00000  109.50000
   53    46    47    35.00000  109.50000
   54    46    47    37.50000  110.70000
   54    46    53    50.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    46    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
   45    50    51   100.00000  108.23000
   45    50    52   100.00000  108.23000
   45    50    58    45.00000  102.60000
   50    58    59    45.00000  143.19000
   52    50    51   140.00000  119.90000
   58    50    51   100.00000  108.23000
   58    50    52   100.00000  108.23000
   58    59    60   100.00000  107.00000
   58    59    61   100.00000  107.00000
   58    59    62   100.00000  107.00000
   61    59    60   140.00000  114.00000
   62    59    60   140.00000  114.00000
   62    59    61   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    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    53   0.56750  1.0 1.0
   29    33    39    53  -0.07550 -1.0 2.0
   29    33    39    53   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.62750  1.0 1.0
   33    39    41    45  -0.30950 -1.0 2.0
   33    39    41    45   0.27300  1.0 3.0
   33    39    53    46   0.06250  1.0 1.0
   33    39    53    46  -0.01100 -1.0 2.0
   33    39    53    46   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    53   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    53   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    46   0.56750  1.0 1.0
   39    41   -43    46  -0.07550 -1.0 2.0
   39    41   -43    46   0.20000  1.0 3.0
   39    41    43    48   0.86500  1.0 1.0
   39    41    43    48  -0.17500 -1.0 2.0
   39    41    43    48   0.20800  1.0 3.0
   39    41    45    50  -2.65550  1.0 1.0
   39    41    45    50  -0.22350 -1.0 2.0
   39    41    45    50   0.24150  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    53    46   0.37050  1.0 3.0
   41    39   -53    46   0.06250  1.0 1.0
   41    39   -53    46  -0.01100 -1.0 2.0
   41    39   -53    46   0.28050  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43   -46    53   0.62750  1.0 1.0
   41    43   -46    53  -0.30950 -1.0 2.0
   41    43   -46    53   0.27300  1.0 3.0
   41    43    46    54   0.56750  1.0 1.0
   41    43    46    54  -0.07550 -1.0 2.0
   41    43    46    54   0.20000  1.0 3.0
   41    43    48    49  -0.11600  1.0 1.0
   41    43    48    49  -0.09450 -1.0 2.0
   41    43    48    49   0.21250  1.0 3.0
   41    45    50    51   0.00000  1.0 1.0
   41    45    50    52   0.00000  1.0 1.0
   41    45    50    58   0.05050  1.0 1.0
   41    45    50    58  -1.30700 -1.0 2.0
   41    45    50    58   0.91550  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    48   0.23400  1.0 3.0
   42    41    45    50   0.03000  1.0 3.0
   43    41    45    50  -2.65550  1.0 1.0
   43    41    45    50  -0.22350 -1.0 2.0
   43    41    45    50   0.24150  1.0 3.0
   43    46   -53    39   0.06250  1.0 1.0
   43    46   -53    39  -0.01100 -1.0 2.0
   43    46   -53    39   0.28050  1.0 3.0
   43    46    54    55   0.15000  1.0 3.0
   43    46    54    56   0.15000  1.0 3.0
   43    46    54    57   0.15000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    53   0.23400  1.0 3.0
   44    43    46    54   0.15000  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   47    46    53    39   0.37050  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.15000  1.0 3.0
   47    46    54    57   0.15000  1.0 3.0
   53    39    41    42   0.23400  1.0 3.0
   53    39   -41    43   0.62750  1.0 1.0
   53    39   -41    43  -0.30950 -1.0 2.0
   53    39   -41    43   0.27300  1.0 3.0
   53    39    41    45   1.11900  1.0 1.0
   53    39    41    45  -1.16350 -1.0 2.0
   53    39    41    45  -0.34150  1.0 3.0
   53    46    54    55   0.23400  1.0 3.0
   53    46    54    56   0.23400  1.0 3.0
   53    46    54    57   0.23400  1.0 3.0
   54    46    53    39   0.06250  1.0 1.0
   54    46    53    39  -0.01100 -1.0 2.0
   54    46    53    39   0.28050  1.0 3.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    53   3.69350  1.0 1.0
   48    43    46    53  -1.82950 -1.0 2.0
   48    43    46    54   0.86500  1.0 1.0
   48    43    46    54  -0.17500 -1.0 2.0
   48    43    46    54   0.20800  1.0 3.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    46   0.62750  1.0 1.0
   45    41    43    46  -0.30950 -1.0 2.0
   45    41    43    46   0.27300  1.0 3.0
   45    41    43    48   3.69350  1.0 1.0
   45    41    43    48  -1.82950 -1.0 2.0
   45    50    58    59   0.15000  1.0 3.0
   50    58    59    60   0.50000  1.0 3.0
   50    58    59    61   0.50000  1.0 3.0
   50    58    59    62   0.50000  1.0 3.0
   51    50    58    59   0.50000  1.0 3.0
   52    50    58    59   0.50000  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
   37    30    36    38  10.50000 -1.0 2.0
END
