* LIGAND DATABASE FILE (OPLS2005)
*
001      62    63    119    186     343
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02066    63.70533    76.53877
    3     1 S   H    _H1_     3     1.02115    48.75047  -128.13561
    4     1 S   H    _H2_     4     1.02052   105.81352   -26.88605
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C8_    36     1.83389    97.67943   -78.13135
   34    33 S   HC   _H3_    37     1.09648   102.94410    43.64054
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   C3T  _C6_    38     1.51045   110.03924   159.99938
   39    38 S   HC   _H16    39     1.08533   114.15984    18.67303
   40    38 S   C3T  _C5_    40     1.51090   118.57611   159.49931
   41    40 S   HC   _H15    41     1.08819   115.27576  -141.85900
   42    40 S   CO4  _C4_    42     1.48549   121.00821     0.60620
   43    42 S   O    _O34    43     1.22699   119.28170   173.68661
   44    38 S   C3T  _C10    54     1.50836   120.19112  -130.93063
   45    42 S   CT   _C9_    44     1.53299   117.95061    -5.94148
   46    44 S   CT   _C12    55     1.49399   116.38585    -0.28939
   47    46 S   HC   _H22    56     1.09999   111.45833   111.68307
   48    46 S   HC   _H23    57     1.10007   111.43282    -8.33298
   49    46 S   HC   _H24    58     1.10050   111.38737  -128.27673
   50    44 S   CT   _C13    59     1.48759   121.99510   143.51535
   51    50 S   HC   _H25    60     1.10314   111.73862  -108.27620
   52    50 S   HC   _H26    61     1.10251   111.77019   131.79178
   53    50 S   HC   _H27    62     1.10317   111.80984    11.73846
   54    33 S   CT   _C7_    45     1.56067   113.63387   -73.04868
   55    54 S   OM   _O33    46     1.32848   110.06099   -63.75807
   56    54 S   HC   _H17    47     1.10217   105.92085    64.05442
   57    45 S   CT   _C11    48     1.53734   107.37062   103.26270
   58    57 S   HC   _H19    49     1.08594   109.39399   180.00000
   59    57 S   HC   _H20    50     1.08554   109.40205    59.98569
   60    57 S   HC   _H21    51     1.08632   109.32771   -60.03143
   61    45 S   OH   _O13    52     1.43142   107.24539  -144.60875
   62    61 S   HO   _H28    53     0.96600   105.66029    60.05997
  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
  15   8   2   1   1  18   7  16   6  14   5  10   9   7   3   2
   1   3   2   1   1   8   3   2   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    54    55    56    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    54    55    56    57    61    44    46    50  
   38    39    40    45    54    55    56    44  
   36    37  
   37  
    0  
   39    40    41    42    43    45    54    55    56    44    46    47    48    49    50    51    52    53  
   40    41    42    54    44    46    50  
   41    42    43    45    54    57    61    44    46    47    48    49    50    51    52    53  
   42    43    45    44    46    50  
   43    45    54    55    56    57    58    59    60    61    62    44    46    50  
   45    54    57    61    44  
   46    47    48    49    50    51    52    53    45    54  
   54    55    56    57    58    59    60    61    62  
   47    48    49    50    51    52    53  
   48    49    50  
   49    50  
   50  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    58    59    60    61    62  
   56    57    61  
   57    61  
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   56   2.5000   0.0500   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   275.000  1.510
   33    54   268.000  1.529
   38    39   340.000  1.088
   38    40   260.000  1.509
   38    44   260.000  1.509
   40    41   340.000  1.088
   40    42   290.000  1.496
   40    44   260.000  1.509
   42    43   570.000  1.229
   42    45   317.000  1.522
   45    54   268.000  1.529
   45    57   268.000  1.529
   45    61   320.000  1.410
   54    55   570.000  1.307
   54    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   553.000  0.945
   44    46   275.000  1.510
   44    50   275.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    54    75.00000  111.63000
   33    38    39    40.00000  115.04500
   33    38    40    60.00000  120.94000
   33    38    44    60.00000  120.94000
   33    54    45    58.35000  112.70000
   33    54    55    50.00000  109.50000
   33    54    56    37.50000  110.70000
   38    33    34    45.00000  109.38400
   38    40    41    37.50000  117.20000
   38    40    42    65.00000  117.18000
   38    40    44    10.00000   60.00500
   38    44    40    10.00000   60.00500
   38    44    46    60.00000  120.94000
   38    44    50    60.00000  120.94000
   40    38    39    37.50000  117.20000
   40    42    43    75.00000  121.36600
   40    42    45    65.00000  117.32000
   40    44    46    60.00000  120.94000
   40    44    50    60.00000  120.94000
   42    40    41    40.00000  116.18000
   42    45    54    63.00000  111.10000
   42    45    57    63.00000  111.10000
   42    45    61    90.00000  109.61100
   45    42    43    80.00000  120.40000
   45    54    55    50.00000  109.50000
   45    54    56    37.50000  110.70000
   45    57    58    37.50000  110.70000
   45    57    59    37.50000  110.70000
   45    57    60    37.50000  110.70000
   45    61    62    55.00000  108.50000
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.37300
   56    54    55    45.00000  125.66300
   57    45    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    45    54    50.00000  109.50000
   61    45    57    50.00000  109.50000
   44    38    39    37.50000  117.20000
   44    38    40    10.00000   60.00500
   44    40    41    37.50000  117.20000
   44    40    42    65.00000  117.18000
   44    46    47    45.00000  109.38400
   44    46    48    45.00000  109.38400
   44    46    49    45.00000  109.38400
   44    50    51    45.00000  109.38400
   44    50    52    45.00000  109.38400
   44    50    53    45.00000  109.38400
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    44    46    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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    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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    44   0.44750  1.0 1.0
   29    33    38    44  -0.17800 -1.0 2.0
   29    33    38    44   0.20200  1.0 3.0
   29    33    54    45   0.44750  1.0 1.0
   29    33    54    45  -0.17800 -1.0 2.0
   29    33    54    45   0.20200  1.0 3.0
   29    33    54    55   0.56750  1.0 1.0
   29    33    54    55  -0.07550 -1.0 2.0
   29    33    54    55   0.20000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42  -0.95700  1.0 1.0
   33    38    40    42  -0.18200 -1.0 2.0
   33    38    40    42   0.29450  1.0 3.0
   33    38   -40    44   0.07850  1.0 1.0
   33    38   -40    44  -0.03950 -1.0 2.0
   33    38   -40    44   0.67350  1.0 3.0
   33    38   -44    40   0.07850  1.0 1.0
   33    38   -44    40  -0.03950 -1.0 2.0
   33    38   -44    40   0.67350  1.0 3.0
   33    38    44    46   0.56750  1.0 1.0
   33    38    44    46  -0.07550 -1.0 2.0
   33    38    44    46   0.20000  1.0 3.0
   33    38    44    50   0.56750  1.0 1.0
   33    38    44    50  -0.07550 -1.0 2.0
   33    38    44    50   0.20000  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    44   0.15000  1.0 3.0
   34    33    54    45   0.15000  1.0 3.0
   34    33    54    55   0.23400  1.0 3.0
   34    33    54    56   0.15000  1.0 3.0
   38    33    54    45   0.47050  1.0 1.0
   38    33    54    45   0.03900 -1.0 2.0
   38    33    54    45   0.20100  1.0 3.0
   38    33    54    55  -0.26800  1.0 1.0
   38    33    54    55   0.69150 -1.0 2.0
   38    33    54    55  -0.48750  1.0 3.0
   38    33    54    56   0.15000  1.0 3.0
   38    40    42    43   0.30150 -1.0 2.0
   38    40   -42    45   0.60050  1.0 1.0
   38    40   -42    45   0.05600 -1.0 2.0
   38    40   -42    45   0.26150  1.0 3.0
   38    40   -44    46   0.07850  1.0 1.0
   38    40   -44    46  -0.03950 -1.0 2.0
   38    40   -44    46   0.67350  1.0 3.0
   38    40   -44    50   0.07850  1.0 1.0
   38    40   -44    50  -0.03950 -1.0 2.0
   38    40   -44    50   0.67350  1.0 3.0
   38    44    46    47   0.15000  1.0 3.0
   38    44    46    48   0.15000  1.0 3.0
   38    44    46    49   0.15000  1.0 3.0
   38    44    50    51   0.15000  1.0 3.0
   38    44    50    52   0.15000  1.0 3.0
   38    44    50    53   0.15000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38   -40    44   0.15000  1.0 3.0
   39    38   -44    40   0.15000  1.0 3.0
   39    38    44    46   0.15000  1.0 3.0
   39    38    44    50   0.15000  1.0 3.0
   40    38   -44    46   0.07850  1.0 1.0
   40    38   -44    46  -0.03950 -1.0 2.0
   40    38   -44    46   0.67350  1.0 3.0
   40    38   -44    50   0.07850  1.0 1.0
   40    38   -44    50  -0.03950 -1.0 2.0
   40    38   -44    50   0.67350  1.0 3.0
   40    42    45    54   0.60050  1.0 1.0
   40    42    45    54   0.05600 -1.0 2.0
   40    42    45    54   0.26150  1.0 3.0
   40    42    45    57   0.60050  1.0 1.0
   40    42    45    57   0.05600 -1.0 2.0
   40    42    45    57   0.26150  1.0 3.0
   40    42    45    61   0.55300  1.0 1.0
   40    42    45    61   1.25850 -1.0 2.0
   40    42    45    61  -0.23600  1.0 3.0
   40    44    46    47   0.15000  1.0 3.0
   40    44    46    48   0.15000  1.0 3.0
   40    44    46    49   0.15000  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    52   0.15000  1.0 3.0
   40    44    50    53   0.15000  1.0 3.0
   41    40    42    43   0.50000  1.0 3.0
   41    40    42    45   0.00000  1.0 1.0
   41    40   -44    38   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   42    40   -44    38  -0.95700  1.0 1.0
   42    40   -44    38  -0.18200 -1.0 2.0
   42    40   -44    38   0.29450  1.0 3.0
   42    40    44    46  -0.95700  1.0 1.0
   42    40    44    46  -0.18200 -1.0 2.0
   42    40    44    46   0.29450  1.0 3.0
   42    40    44    50  -0.95700  1.0 1.0
   42    40    44    50  -0.18200 -1.0 2.0
   42    40    44    50   0.29450  1.0 3.0
   42    45   -54    33  -0.95700  1.0 1.0
   42    45   -54    33  -0.18200 -1.0 2.0
   42    45   -54    33   0.29450  1.0 3.0
   42    45    54    55  -0.09450  1.0 1.0
   42    45    54    55  -1.12950 -1.0 2.0
   42    45    54    55   0.54000  1.0 3.0
   42    45    54    56  -0.11250  1.0 3.0
   42    45    57    58  -0.11250  1.0 3.0
   42    45    57    59  -0.11250  1.0 3.0
   42    45    57    60  -0.11250  1.0 3.0
   42    45    61    62   0.91850  1.0 1.0
   42    45    61    62   0.57950  1.0 3.0
   43    42    45    54   0.30150 -1.0 2.0
   43    42    45    57   0.30150 -1.0 2.0
   43    42    45    61   0.30150 -1.0 2.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   0.07850  1.0 1.0
   54    33   -38    40  -0.03950 -1.0 2.0
   54    33   -38    40   0.67350  1.0 3.0
   54    33    38    44   0.07850  1.0 1.0
   54    33    38    44  -0.03950 -1.0 2.0
   54    33    38    44   0.67350  1.0 3.0
   54    45    57    58   0.15000  1.0 3.0
   54    45    57    59   0.15000  1.0 3.0
   54    45    57    60   0.15000  1.0 3.0
   54    45    61    62  -0.11600  1.0 1.0
   54    45    61    62  -0.09450 -1.0 2.0
   54    45    61    62   0.21250  1.0 3.0
   57    45    54    33   0.56750  1.0 1.0
   57    45    54    33  -0.07550 -1.0 2.0
   57    45    54    33   0.20000  1.0 3.0
   57    45    54    55   0.62750  1.0 1.0
   57    45    54    55  -0.30950 -1.0 2.0
   57    45    54    55   0.27300  1.0 3.0
   57    45    54    56   0.15000  1.0 3.0
   57    45    61    62  -0.11600  1.0 1.0
   57    45    61    62  -0.09450 -1.0 2.0
   57    45    61    62   0.21250  1.0 3.0
   61    45    54    33   0.86500  1.0 1.0
   61    45    54    33  -0.17500 -1.0 2.0
   61    45    54    33   0.20800  1.0 3.0
   61    45    54    55   3.69350  1.0 1.0
   61    45    54    55  -1.82950 -1.0 2.0
   61    45    54    56   0.23400  1.0 3.0
   61    45    57    58   0.23400  1.0 3.0
   61    45    57    59   0.23400  1.0 3.0
   61    45    57    60   0.23400  1.0 3.0
   44    38   -40    41   0.15000  1.0 3.0
   44    38   -40    42  -0.95700  1.0 1.0
   44    38   -40    42  -0.18200 -1.0 2.0
   44    38   -40    42   0.29450  1.0 3.0
   44    40    42    43   0.30150 -1.0 2.0
   44    40    42    45   0.60050  1.0 1.0
   44    40    42    45   0.05600 -1.0 2.0
   44    40    42    45   0.26150  1.0 3.0
   46    44    50    51   0.15000  1.0 3.0
   46    44    50    52   0.15000  1.0 3.0
   46    44    50    53   0.15000  1.0 3.0
   50    44    46    47   0.15000  1.0 3.0
   50    44    46    48   0.15000  1.0 3.0
   50    44    46    49   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   40    45    42    43  10.50000 -1.0 2.0
END
