* LIGAND DATABASE FILE (OPLS2005)
*
001      62    63    119    186     343
    1     0 S   NP   _N1_     1    28.24876    93.68703   -22.67776
    2     1 S   H    _HN1     2     1.02776    93.43696  -123.12671
    3     1 S   H    _H1_     3     1.02957    94.73495   -14.38949
    4     1 S   H    _H2_     4     1.02835    23.90732   108.25618
    5     1 S   CT   _CA1     5     1.50132   134.63483   110.57188
    6     5 S   HC   _HA1     6     1.09574   105.21742    58.16120
    7     5 S   CO3  _C1_     7     1.53786   112.34398   -62.03680
    8     7 S   O2Z  _O11     8     1.26367   114.99366   -44.21698
    9     7 S   O2Z  _O12     9     1.26233   114.93202   134.85685
   10     5 S   CT   _CB1    10     1.53093   107.41875   176.07160
   11    10 S   HC   HB11    11     1.09827   109.34153   -50.44002
   12    10 S   HC   HB12    12     1.09816   110.42686    66.11843
   13    10 S   CT   _CG1    13     1.53017   112.66748  -171.50252
   14    13 S   HC   HG11    14     1.09596   110.49754   -64.27087
   15    13 S   HC   HG12    15     1.09656   109.92160    54.93149
   16    13 S   C    _CD1    16     1.51836   112.30016   175.31049
   17    16 S   O    _OE1    17     1.22755   123.29487     0.52451
   18    16 S   N    _N2_    18     1.38523   111.70995  -179.47661
   19    18 S   H    _HN2    19     1.01576   119.13860     3.87540
   20    18 S   CT1  _CA2    20     1.45856   122.92723   178.51378
   21    20 S   HC   _HA2    21     1.09728   108.86681    25.63770
   22    20 S   C    _C2_    22     1.52917   107.09848   -91.50769
   23    22 S   O    _O2_    23     1.22984   123.07484   -26.76421
   24    20 S   CT   _CB2    32     1.53109   112.03886   148.75440
   25    24 S   HC   HB21    33     1.09522   110.05604    55.48221
   26    24 S   HC   HB22    34     1.09532   110.44826   174.21382
   27    22 S   N    _N3_    24     1.38507   112.56782   155.91422
   28    27 S   H    _HN3    25     1.01663   120.34932    -2.16229
   29    24 S   S    _SG2    35     1.82554   111.09274   -66.00078
   30    27 S   CT   _CA3    26     1.45349   122.44676   178.59055
   31    30 S   HC   HA31    27     1.09572   107.73533   -56.60534
   32    30 S   HC   HA32    28     1.09563   107.67095    59.70521
   33    29 S   CT   _C6_    36     1.87561    99.25097   169.78959
   34    33 S   HC   _H3_    37     1.09896   105.37278    22.65229
   35    30 S   CO3  _C3_    29     1.52879   114.36479  -178.56919
   36    35 S   O2Z  _O31    30     1.26327   116.08309    -3.18445
   37    35 S   O2Z  _O32    31     1.26440   114.40433   176.84006
   38    33 S   CT   _C7_    38     1.57377   113.17071   141.26226
   39    38 S   OM   _O34    39     1.32335   110.15221   -59.39450
   40    38 S   HC   _H4_    40     1.09515   105.78677   174.20911
   41    38 S   C3T  _C8_    41     1.52249   108.35796    59.71305
   42    41 S   HC   _H5_    42     1.08960   113.04608   -96.15855
   43    41 S   C3T  _C9_    43     1.51269   116.54363    39.77019
   44    43 S   HC   _H6_    44     1.08747   115.78793  -136.02940
   45    43 S   CO4  _C10    45     1.48658   119.96695     4.08610
   46    45 S   O    _O33    46     1.22807   119.17461   157.60725
   47    41 S   C3T  _C11    54     1.52755   124.98043   110.14876
   48    33 S   CT   _C5_    47     1.56109   110.93382   -94.51907
   49    47 S   CT   _C12    55     1.50628   121.09197     6.44579
   50    49 S   HC   _H10    56     1.09506   110.04118    74.91458
   51    49 S   HC   _H11    57     1.09061   113.69806   -46.28825
   52    49 S   HC   _H12    58     1.09556   110.19094  -166.10304
   53    47 S   CT   _C13    59     1.51119   116.27015   149.55218
   54    53 S   HC   _H13    60     1.09501   110.28236   -87.05989
   55    53 S   HC   _H14    61     1.09503   110.34529   153.17413
   56    53 S   HC   _H15    62     1.09548   112.13958    33.09062
   57    48 S   CT   _C4_    48     1.53754   110.80559   156.58603
   58    57 S   HC   _H7_    49     1.09624   110.53225   -60.78858
   59    57 S   HC   _H8_    50     1.09677   111.06220  -178.37948
   60    57 S   HC   _H9_    51     1.09182   113.19022    60.85203
   61    48 S   OH   _O35    52     1.43169   110.96578    39.69324
   62    61 S   HO   _H16    53     0.97332   107.96251   178.89412
  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
  17   8   2   1   1  13   6   5  15   6  15   6  11   4   9   6
   7   3   2   1   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    48    57    61  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    48    57    58    59    60    61    62    47  
   38    39    40    41    45    48    57    61  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    57    61    47    49    53  
   40    41    42    43    48    47  
   41    42    43    48    47  
   42    43    44    45    46    48    47    49    50    51    52    53    54    55    56  
   43    44    45    47    49    53  
   44    45    46    48    57    61    47    49    50    51    52    53    54    55    56  
   45    46    48    47    49    53  
   46    48    57    58    59    60    61    62    47    49    53  
   48    57    61    47  
   49    50    51    52    53    54    55    56    48  
   57    58    59    60    61    62  
   50    51    52    53    54    55    56  
   51    52    53  
   52    53  
   53  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    62  
   59    60    61  
   60    61  
   61  
   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   0.107500   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    48   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   275.000  1.510
   41    42   340.000  1.088
   41    43   260.000  1.509
   41    47   260.000  1.509
   43    44   340.000  1.088
   43    45   290.000  1.496
   43    47   260.000  1.509
   45    46   570.000  1.229
   45    48   317.000  1.522
   48    57   268.000  1.529
   48    61   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   553.000  0.945
   47    49   275.000  1.510
   47    53   275.000  1.510
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    48    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.37300
   33    48    45    63.00000  111.10000
   33    48    57    58.35000  112.70000
   33    48    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    40.00000  115.04500
   38    41    43    60.00000  120.94000
   38    41    47    60.00000  120.94000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    45.00000  109.38400
   41    43    44    37.50000  117.20000
   41    43    45    65.00000  117.18000
   41    43    47    10.00000   60.00500
   41    47    43    10.00000   60.00500
   41    47    49    60.00000  120.94000
   41    47    53    60.00000  120.94000
   43    41    42    37.50000  117.20000
   43    45    46    75.00000  121.36600
   43    45    48    65.00000  117.32000
   43    47    49    60.00000  120.94000
   43    47    53    60.00000  120.94000
   45    43    44    40.00000  116.18000
   45    48    57    63.00000  111.10000
   45    48    61    90.00000  109.61100
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    45    46    80.00000  120.40000
   48    57    58    37.50000  110.70000
   48    57    59    37.50000  110.70000
   48    57    60    37.50000  110.70000
   48    61    62    55.00000  108.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    48    57    50.00000  109.50000
   47    41    42    37.50000  117.20000
   47    41    43    10.00000   60.00500
   47    43    44    37.50000  117.20000
   47    43    45    65.00000  117.18000
   47    49    50    45.00000  109.38400
   47    49    51    45.00000  109.38400
   47    49    52    45.00000  109.38400
   47    53    54    45.00000  109.38400
   47    53    55    45.00000  109.38400
   47    53    56    45.00000  109.38400
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    47    49    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    48    45   0.56750  1.0 1.0
   29    33    48    45  -0.07550 -1.0 2.0
   29    33    48    45   0.20000  1.0 3.0
   29    33    48    57   0.44750  1.0 1.0
   29    33    48    57  -0.17800 -1.0 2.0
   29    33    48    57   0.20200  1.0 3.0
   29    33    48    61   0.56750  1.0 1.0
   29    33    48    61  -0.07550 -1.0 2.0
   29    33    48    61   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.07850  1.0 1.0
   33    38    41    43  -0.03950 -1.0 2.0
   33    38    41    43   0.67350  1.0 3.0
   33    38    41    47   0.07850  1.0 1.0
   33    38    41    47  -0.03950 -1.0 2.0
   33    38    41    47   0.67350  1.0 3.0
   33    48    57    58   0.15000  1.0 3.0
   33    48    57    59   0.15000  1.0 3.0
   33    48    57    60   0.15000  1.0 3.0
   33    48    61    62  -0.11600  1.0 1.0
   33    48    61    62  -0.09450 -1.0 2.0
   33    48    61    62   0.21250  1.0 3.0
   34    33    38    39   0.23400  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    48    45  -0.11250  1.0 3.0
   34    33    48    57   0.15000  1.0 3.0
   34    33    48    61   0.23400  1.0 3.0
   38    33    48    45  -0.95700  1.0 1.0
   38    33    48    45  -0.18200 -1.0 2.0
   38    33    48    45   0.29450  1.0 3.0
   38    33    48    57   0.56750  1.0 1.0
   38    33    48    57  -0.07550 -1.0 2.0
   38    33    48    57   0.20000  1.0 3.0
   38    33    48    61   0.86500  1.0 1.0
   38    33    48    61  -0.17500 -1.0 2.0
   38    33    48    61   0.20800  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41   -43    45  -0.95700  1.0 1.0
   38    41   -43    45  -0.18200 -1.0 2.0
   38    41   -43    45   0.29450  1.0 3.0
   38    41   -43    47   0.07850  1.0 1.0
   38    41   -43    47  -0.03950 -1.0 2.0
   38    41   -43    47   0.67350  1.0 3.0
   38    41   -47    43   0.07850  1.0 1.0
   38    41   -47    43  -0.03950 -1.0 2.0
   38    41   -47    43   0.67350  1.0 3.0
   38    41    47    49   0.56750  1.0 1.0
   38    41    47    49  -0.07550 -1.0 2.0
   38    41    47    49   0.20000  1.0 3.0
   38    41    47    53   0.56750  1.0 1.0
   38    41    47    53  -0.07550 -1.0 2.0
   38    41    47    53   0.20000  1.0 3.0
   39    38    41    42   0.23400  1.0 3.0
   39    38    41    43  -0.26800  1.0 1.0
   39    38    41    43   0.69150 -1.0 2.0
   39    38    41    43  -0.48750  1.0 3.0
   39    38    41    47  -0.26800  1.0 1.0
   39    38    41    47   0.69150 -1.0 2.0
   39    38    41    47  -0.48750  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    47   0.15000  1.0 3.0
   41    43    45    46   0.30150 -1.0 2.0
   41    43    45    48   0.60050  1.0 1.0
   41    43    45    48   0.05600 -1.0 2.0
   41    43    45    48   0.26150  1.0 3.0
   41    43   -47    49   0.07850  1.0 1.0
   41    43   -47    49  -0.03950 -1.0 2.0
   41    43   -47    49   0.67350  1.0 3.0
   41    43   -47    53   0.07850  1.0 1.0
   41    43   -47    53  -0.03950 -1.0 2.0
   41    43   -47    53   0.67350  1.0 3.0
   41    47    49    50   0.15000  1.0 3.0
   41    47    49    51   0.15000  1.0 3.0
   41    47    49    52   0.15000  1.0 3.0
   41    47    53    54   0.15000  1.0 3.0
   41    47    53    55   0.15000  1.0 3.0
   41    47    53    56   0.15000  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41   -43    47   0.15000  1.0 3.0
   42    41   -47    43   0.15000  1.0 3.0
   42    41    47    49   0.15000  1.0 3.0
   42    41    47    53   0.15000  1.0 3.0
   43    41   -47    49   0.07850  1.0 1.0
   43    41   -47    49  -0.03950 -1.0 2.0
   43    41   -47    49   0.67350  1.0 3.0
   43    41   -47    53   0.07850  1.0 1.0
   43    41   -47    53  -0.03950 -1.0 2.0
   43    41   -47    53   0.67350  1.0 3.0
   43    45   -48    33   0.60050  1.0 1.0
   43    45   -48    33   0.05600 -1.0 2.0
   43    45   -48    33   0.26150  1.0 3.0
   43    45    48    57   0.60050  1.0 1.0
   43    45    48    57   0.05600 -1.0 2.0
   43    45    48    57   0.26150  1.0 3.0
   43    45    48    61   0.55300  1.0 1.0
   43    45    48    61   1.25850 -1.0 2.0
   43    45    48    61  -0.23600  1.0 3.0
   43    47    49    50   0.15000  1.0 3.0
   43    47    49    51   0.15000  1.0 3.0
   43    47    49    52   0.15000  1.0 3.0
   43    47    53    54   0.15000  1.0 3.0
   43    47    53    55   0.15000  1.0 3.0
   43    47    53    56   0.15000  1.0 3.0
   44    43    45    46   0.50000  1.0 3.0
   44    43    45    48   0.00000  1.0 1.0
   44    43   -47    41   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    53   0.15000  1.0 3.0
   45    43   -47    41  -0.95700  1.0 1.0
   45    43   -47    41  -0.18200 -1.0 2.0
   45    43   -47    41   0.29450  1.0 3.0
   45    43    47    49  -0.95700  1.0 1.0
   45    43    47    49  -0.18200 -1.0 2.0
   45    43    47    49   0.29450  1.0 3.0
   45    43    47    53  -0.95700  1.0 1.0
   45    43    47    53  -0.18200 -1.0 2.0
   45    43    47    53   0.29450  1.0 3.0
   45    48    57    58  -0.11250  1.0 3.0
   45    48    57    59  -0.11250  1.0 3.0
   45    48    57    60  -0.11250  1.0 3.0
   45    48    61    62   0.91850  1.0 1.0
   45    48    61    62   0.57950  1.0 3.0
   46    45    48    33   0.30150 -1.0 2.0
   46    45    48    57   0.30150 -1.0 2.0
   46    45    48    61   0.30150 -1.0 2.0
   48    33    38    39   0.62750  1.0 1.0
   48    33    38    39  -0.30950 -1.0 2.0
   48    33    38    39   0.27300  1.0 3.0
   48    33    38    40   0.15000  1.0 3.0
   48    33   -38    41   0.47050  1.0 1.0
   48    33   -38    41   0.03900 -1.0 2.0
   48    33   -38    41   0.20100  1.0 3.0
   57    48    61    62  -0.11600  1.0 1.0
   57    48    61    62  -0.09450 -1.0 2.0
   57    48    61    62   0.21250  1.0 3.0
   61    48    57    58   0.23400  1.0 3.0
   61    48    57    59   0.23400  1.0 3.0
   61    48    57    60   0.23400  1.0 3.0
   47    41   -43    44   0.15000  1.0 3.0
   47    41   -43    45  -0.95700  1.0 1.0
   47    41   -43    45  -0.18200 -1.0 2.0
   47    41   -43    45   0.29450  1.0 3.0
   47    43    45    46   0.30150 -1.0 2.0
   47    43    45    48   0.60050  1.0 1.0
   47    43    45    48   0.05600 -1.0 2.0
   47    43    45    48   0.26150  1.0 3.0
   49    47    53    54   0.15000  1.0 3.0
   49    47    53    55   0.15000  1.0 3.0
   49    47    53    56   0.15000  1.0 3.0
   53    47    49    50   0.15000  1.0 3.0
   53    47    49    51   0.15000  1.0 3.0
   53    47    49    52   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   43    48    45    46  10.50000 -1.0 2.0
END
