* LIGAND DATABASE FILE (OPLS2005)
*
001      59    58    103    146     297
    1     0 S   NP   _N1_     1    28.68992    95.83799   -23.38687
    2     1 S   H    _HN1     2     1.02785   104.69446   -93.87952
    3     1 S   H    _H1_     3     1.02950    76.78978    11.96019
    4     1 S   H    _H2_     4     1.02829    33.62418   165.81018
    5     1 S   CT   _CA1     5     1.50108   136.85122   117.82511
    6     5 S   HC   _HA1     6     1.09572   105.20727    85.35414
    7     5 S   CO3  _C1_     7     1.53796   112.45532   -34.90652
    8     7 S   O2Z  _O11     8     1.26373   115.01010   -42.67889
    9     7 S   O2Z  _O12     9     1.26239   114.94986   136.48559
   10     5 S   CT   _CB1    10     1.53082   107.42694  -156.64247
   11    10 S   HC   HB11    11     1.09831   109.40734   -49.62964
   12    10 S   HC   HB12    12     1.09814   110.43022    66.98648
   13    10 S   CT   _CG1    13     1.52987   112.59360  -170.60683
   14    13 S   HC   HG11    14     1.09583   110.61508   -64.93032
   15    13 S   HC   HG12    15     1.09668   109.80807    54.30066
   16    13 S   C    _CD1    16     1.51795   112.25297   174.77595
   17    16 S   O    _OE1    17     1.22726   123.29682     5.86909
   18    16 S   N    _N2_    18     1.38654   111.65104  -174.26701
   19    18 S   H    _HN2    19     1.01580   118.93653     1.96394
   20    18 S   CT1  _CA2    20     1.46194   123.39388   177.96876
   21    20 S   HC   _HA2    21     1.09736   109.36733     2.14667
   22    20 S   C    _C2_    22     1.53537   108.64074  -113.36491
   23    22 S   O    _O2_    23     1.23060   122.26716  -147.97686
   24    20 S   CT   _CB2    32     1.53364   111.56060   124.14515
   25    24 S   HC   HB21    33     1.09482   109.91620    56.50385
   26    24 S   HC   HB22    34     1.09514   110.10141   175.53161
   27    22 S   N    _N3_    24     1.38324   113.70552    39.46404
   28    27 S   H    _HN3    25     1.01589   119.58318    -3.32343
   29    24 S   S    _SG2    35     1.82763   111.46219   -64.72271
   30    27 S   CT   _CA3    26     1.45288   123.20445   177.11622
   31    30 S   HC   HA31    27     1.09549   107.50966   -64.56591
   32    30 S   HC   HA32    28     1.09557   107.98369    51.86945
   33    29 S   CT   _C5_    36     1.84240    99.84806  -176.26944
   34    33 S   HC   _H3_    37     1.09599   107.29170    41.49662
   35    30 S   CO3  _C3_    29     1.52957   114.08723   173.86793
   36    35 S   O2Z  _O31    30     1.26375   116.06818    -0.65611
   37    35 S   O2Z  _O32    31     1.26428   114.41199   179.40554
   38    33 S   CT   _C4_    38     1.52977   109.85231   -76.32329
   39    38 S   HC   _H5_    39     1.09563   112.09217   -58.98165
   40    38 S   HC   _H6_    40     1.09584   110.30182  -178.78937
   41    38 S   HC   _H7_    41     1.09444   111.74938    62.54142
   42    33 S   CT1  _C6_    42     1.54607   111.61166   160.26124
   43    42 S   HC   _H4_    43     1.09822   108.71487   176.16151
   44    42 S   C    _C7_    44     1.53360   112.23907   -65.98643
   45    44 S   O    _O33    45     1.22962   123.10950   104.98507
   46    42 S   N    _N5_    52     1.45852   112.95885    56.64603
   47    46 S   H    _H12    53     1.01600   117.21749   -46.38474
   48    44 S   N    _N4_    46     1.38721   112.62402   -73.55977
   49    48 S   H    _H8_    47     1.01504   119.80657    -3.91902
   50    46 S   C    _C9_    54     1.38241   123.23708   140.79569
   51    50 S   O    _O34    55     1.22774   125.50045    -1.76214
   52    48 S   CT   _C8_    48     1.44332   122.10972   179.25849
   53    52 S   HC   _H9_    49     1.09314   110.16815   -39.53913
   54    52 S   HC   _H10    50     1.09231   108.63187  -160.19661
   55    52 S   HC   _H11    51     1.09294   108.51816    80.37206
   56    50 S   CT   _C10    56     1.50461   112.45363   177.30057
   57    56 S   HC   _H13    57     1.09384   110.48346    44.41518
   58    56 S   HC   _H14    58     1.09348   109.62733   164.03721
   59    56 S   HC   _H15    59     1.09334   109.37001   -76.11953
  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
  13   8   2   1   1   7   3   2   1  11   6  10   4   8   3   5
   4   5   4   3   2   1   1   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    48    46    47    50  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    48    49    52    46    47    50    51    56  
   44    45    48    46    47    50  
   45    48    49    52    53    54    55    46    47    50  
   48    49    52    46  
   47    50    51    56    57    58    59    48  
   50    51    56  
   49    52    53    54    55  
   52    53    54    55  
   51    56    57    58    59  
   56    57    58    59  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59  
   58    59  
   59  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660   0.020000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   337.000  1.449
   44    45   570.000  1.229
   44    48   490.000  1.335
   48    49   434.000  1.010
   48    52   337.000  1.449
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   46    47   434.000  1.010
   46    50   490.000  1.335
   50    51   570.000  1.229
   50    56   317.000  1.522
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
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    42    75.00000  108.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    80.00000  109.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    48    70.00000  116.60000
   42    46    47    38.00000  118.40000
   42    46    50    50.00000  121.90000
   44    42    43    35.00000  109.50000
   44    48    49    35.00000  119.80000
   44    48    52    50.00000  121.90000
   48    44    45    80.00000  122.90000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    55    35.00000  109.50000
   52    48    49    38.00000  118.40000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   46    42    43    35.00000  109.50000
   46    42    44    63.00000  110.10000
   46    50    51    80.00000  122.90000
   46    50    56    70.00000  116.60000
   50    46    47    35.00000  119.80000
   50    56    57    35.00000  109.50000
   50    56    58    35.00000  109.50000
   50    56    59    35.00000  109.50000
   56    50    51    80.00000  120.40000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44  -2.17200  1.0 1.0
   29    33    42    44  -0.85700 -1.0 2.0
   29    33    42    46   0.71400  1.0 1.0
   29    33    42    46   0.04300 -1.0 2.0
   29    33    42    46   0.01450  1.0 3.0
   33    42    44    45   0.00000  1.0 1.0
   33    42    44    48   0.93250  1.0 1.0
   33    42    44    48   0.04450 -1.0 2.0
   33    42    44    48   0.17550  1.0 3.0
   33    42    46    47   0.00000  1.0 1.0
   33    42    46    50   0.25950  1.0 1.0
   33    42    46    50   0.43850 -1.0 2.0
   33    42    46    50   2.61650  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    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.03800  1.0 3.0
   34    33    42    46   0.23200  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.84850  1.0 1.0
   38    33    42    44  -0.22800 -1.0 2.0
   38    33    42    44   0.29250  1.0 3.0
   38    33    42    46   0.42250  1.0 1.0
   38    33    42    46  -0.48100 -1.0 2.0
   38    33    42    46   0.35650  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    48    49   2.45000 -1.0 2.0
   42    44    48    52   1.15000  1.0 1.0
   42    44    48    52   3.04450 -1.0 2.0
   42    46    50    51   3.04450 -1.0 2.0
   42    46    50    56   1.15000  1.0 1.0
   42    46    50    56   3.04450 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    48   0.00000  1.0 1.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    50   0.00000  1.0 1.0
   44    42    46    47   0.00000  1.0 1.0
   44    42    46    50  -0.29800  1.0 1.0
   44    42    46    50   0.13950 -1.0 2.0
   44    42    46    50  -2.45650  1.0 3.0
   44    48    52    53   0.00000  1.0 1.0
   44    48    52    54   0.00000  1.0 1.0
   44    48    52    55   0.00000  1.0 1.0
   45    44    48    49   2.45000 -1.0 2.0
   45    44    48    52   3.04450 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    54   0.00000  1.0 1.0
   49    48    52    55   0.00000  1.0 1.0
   46    42    44    45   0.00000  1.0 1.0
   46    42    44    48   0.37150  1.0 1.0
   46    42    44    48   1.25400 -1.0 2.0
   46    42    44    48  -0.40250  1.0 3.0
   46    50    56    57   0.00000  1.0 1.0
   46    50    56    58   0.00000  1.0 1.0
   46    50    56    59   0.00000  1.0 1.0
   47    46    50    51   2.45000 -1.0 2.0
   47    46    50    56   2.45000 -1.0 2.0
   51    50    56    57   0.00000  1.0 1.0
   51    50    56    58   0.00000  1.0 1.0
   51    50    56    59   0.00000  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
   36    30    35    37  10.50000 -1.0 2.0
   42    48    44    45  10.50000 -1.0 2.0
   49    44    48    52   1.00000 -1.0 2.0
   47    50    46    42   1.00000 -1.0 2.0
   46    56    50    51  10.50000 -1.0 2.0
END
