* LIGAND DATABASE FILE (OPLS2005)
*
001      70    72    132    202     383
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02038    36.97554   129.77244
    3     1 S   H    _H1_     3     1.02141    78.53511   -85.88037
    4     1 S   H    _H2_     4     1.02050    99.66057    21.39400
    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     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   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   _C16    36     1.86577    96.84044  -158.12678
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C10    37     1.51832   104.40378  -160.04511
   38    37 S   O    _O17    38     1.22309   125.86141    61.60364
   39    33 S   CT   _C13    57     1.56335   107.70544   -42.33067
   40    39 S   HC   _H27    58     1.09931   108.62322    83.30591
   41    39 S   HC   _H28    59     1.09917   109.90687   -31.81232
   42    37 S   OS   _O19    39     1.35994   110.78017  -119.30579
   43    42 S   CT   _C14    40     1.43535   111.73971     8.66302
   44    43 S   HC   _H29    41     1.09999   103.81531   100.54367
   45    43 S   C5BC _C5_    42     1.51282   111.22918  -143.72792
   46    33 S   CT   _C15    68     1.57152   116.19963    86.01743
   47    46 S   OM   _O16    69     1.32283   113.44488   -15.86198
   48    46 S   HC   _H30    70     1.08911   107.61630  -145.15454
   49    45 S   C5BC _C6_    43     1.43192   122.72476  -120.45450
   50    49 S   C5A  _C4_    44     1.36977   107.19801   179.40258
   51    50 S   HA   _H21    45     1.08000   133.99924  -179.96574
   52    49 S   CT   _C17    64     1.47706   127.57309    -0.66940
   53    52 S   HC   _H31    65     1.10146   111.14200   -89.99901
   54    52 S   HC   _H32    66     1.10276   112.01505    30.54559
   55    52 S   HC   _H33    67     1.10360   111.96399   149.53764
   56    50 S   OA   _O18    46     1.35094   110.21627     0.00000
   57    45 S   C5A  _C7_    47     1.39691   132.26805    58.65602
   58    57 S   CT   _C11    48     1.50270   137.81054     2.62763
   59    58 S   HC   _H23    49     1.09895   107.09739   106.06457
   60    58 S   HC   _H24    50     1.09915   108.79169  -141.24033
   61    58 S   CM   _C9_    51     1.50875   117.19511   -17.86484
   62    61 S   CM   _C8_    52     1.34603   118.43392    93.82519
   63    62 S   HC   _H22    53     1.08988   117.95322     7.58742
   64    61 S   CT   _C18    60     1.50328   115.34721   -83.23317
   65    64 S   HC   _H34    61     1.08652   109.31603   -93.17905
   66    64 S   HC   _H35    62     1.08744   109.33867   146.65312
   67    64 S   HC   _H36    63     1.08654   109.36967    27.00305
   68    62 S   CT   _C12    54     1.49554   127.93940  -162.79709
   69    68 S   HC   _H25    55     1.09700   108.28358  -130.44260
   70    68 S   HC   _H26    56     1.09300   112.38581   -14.11208
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  16   2   1   1  12   4  13   6   5   8  11   6  16   5   1   1
   9   8   3   5   2   1   1   5   6  10   4   3   9   8   4   4
   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    46    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    43    68    39    40    41    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    62    68    69    70    39    40    41    46    47    48  
   35    36  
   36  
    0  
   38    42    43    44    45    68    39    40    41    46    47    48  
   42    43    39    46  
   40    41    46    47    48    42    43    61    62    63    68    69    70  
   41    46    62    68    69    70  
   46    62    68    69    70  
   43    44    45    49    57    46    47    48  
   44    45    49    50    56    57    58    52    46    47    48  
   45    49    57    46    47    48  
   49    50    51    56    57    58    59    60    61    52    53    54    55    46    47    48  
   47    48    49    57    68  
   48  
    0  
   50    51    56    57    58    52    53    54    55  
   51    56    57    58    52    53    54    55  
   56    57    52  
   53    54    55    56    57  
   54    55  
   55  
    0  
   57    58    59    60    61  
   58    59    60    61    62    64  
   59    60    61    62    63    68    64    65    66    67  
   60    61    62    64  
   61    62    64  
   62    63    68    69    70    64    65    66    67  
   63    68    69    70    64    65    66    67  
   68    69    70    64  
   65    66    67    68  
   66    67  
   67  
    0  
   69    70  
   70  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5500   0.0760  -0.143000   2.5000   1.7750   0.001000000  -0.843144165
   46   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   48   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   57   3.5500   0.0700   0.008000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    46   268.000  1.529
   37    38   570.000  1.229
   37    42   214.000  1.327
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   285.000  1.502
   43    46   268.000  1.529
   45    49   469.000  1.424
   45    57   546.000  1.367
   49    50   546.000  1.367
   49    52   285.000  1.502
   50    51   367.000  1.080
   50    56   340.000  1.360
   56    57   340.000  1.360
   57    58   295.000  1.489
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   317.000  1.510
   61    62   549.000  1.340
   61    64   317.000  1.510
   62    63   340.000  1.080
   62    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   46    47   570.000  1.307
   46    48   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    46    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    81.00000  111.40000
   33    39    68    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    46    43    58.35000  112.70000
   33    46    47    50.00000  109.50000
   33    46    48    37.50000  110.70000
   37    42    43    83.00000  116.90000
   42    37    38    83.00000  123.40000
   42    43    44    35.00000  109.50000
   42    43    45    85.00000  111.85700
   42    43    46    50.00000  109.50000
   43    45    49    60.00000  130.00000
   43    45    57    60.00000  130.00000
   43    46    47    50.00000  109.50000
   43    46    48    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    49    50    70.00000  107.30000
   45    49    52    60.00000  130.00000
   45    57    56    70.00000  110.60000
   45    57    58    50.00000  133.50000
   49    50    51    35.00000  132.10000
   49    50    56    70.00000  110.60000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   50    56    57    70.00000  106.50000
   56    50    51    35.00000  113.40000
   56    57    58    80.00000  116.10000
   57    45    49    70.00000  107.30000
   57    58    59    45.00000  110.47400
   57    58    60    45.00000  110.47400
   57    58    61    70.00000  112.40000
   58    61    62    70.00000  124.00000
   58    61    64    65.00000  117.92700
   60    58    59    33.00000  107.80000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   61    62    63    35.00000  120.00000
   61    62    68    70.00000  124.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   62    68    69    35.00000  109.50000
   62    68    70    35.00000  109.50000
   62    68    39    70.00000  112.02700
   68    62    63    35.00000  117.00000
   68    39    40    37.50000  110.70000
   68    39    41    37.50000  110.70000
   70    68    69    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    68    69    37.50000  110.70000
   39    68    70    37.50000  110.70000
   41    39    40    33.00000  107.80000
   64    61    62    70.00000  124.00000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   52    49    50    60.00000  130.00000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   46    33    37    63.00000  111.10000
   46    33    39    58.35000  112.70000
   46    43    44    37.50000  110.70000
   46    43    45    70.00000  112.17500
   48    46    47    45.00000  125.66300
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.40000  1.0 3.0
   29    33    39    68   0.44750  1.0 1.0
   29    33    39    68  -0.17800 -1.0 2.0
   29    33    39    68   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    46    43   0.44750  1.0 1.0
   29    33    46    43  -0.17800 -1.0 2.0
   29    33    46    43   0.20200  1.0 3.0
   29    33    46    47   0.56750  1.0 1.0
   29    33    46    47  -0.07550 -1.0 2.0
   29    33    46    47   0.20000  1.0 3.0
   29    33    46    48   0.15000  1.0 3.0
   33    37   -42    43   1.63150  1.0 1.0
   33    37   -42    43   2.92000 -1.0 2.0
   37    33    39    68  -0.95700  1.0 1.0
   37    33    39    68  -0.18200 -1.0 2.0
   37    33    39    68   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33   -46    43  -0.95700  1.0 1.0
   37    33   -46    43  -0.18200 -1.0 2.0
   37    33   -46    43   0.29450  1.0 3.0
   37    33    46    47  -0.09450  1.0 1.0
   37    33    46    47  -1.12950 -1.0 2.0
   37    33    46    47   0.54000  1.0 3.0
   37    33    46    48  -0.11250  1.0 3.0
   37    42    43    44   0.08050  1.0 3.0
   37    42    43    45  -0.43900 -1.0 2.0
   37    42    43    45   0.14100  1.0 3.0
   37    42   -43    46  -0.25900  1.0 1.0
   37    42   -43    46  -0.47000 -1.0 2.0
   37    42   -43    46   0.11750  1.0 3.0
   38    37    42    43   3.00000 -1.0 2.0
   42    43    45    49   0.64500  1.0 1.0
   42    43    45    49   0.14800 -1.0 2.0
   42    43    45    49   0.20650  1.0 3.0
   42    43    45    57   0.64500  1.0 1.0
   42    43    45    57   0.14800 -1.0 2.0
   42    43    45    57   0.20650  1.0 3.0
   42    43   -46    33   0.62750  1.0 1.0
   42    43   -46    33  -0.30950 -1.0 2.0
   42    43   -46    33   0.27300  1.0 3.0
   42    43    46    47   1.11900  1.0 1.0
   42    43    46    47  -1.16350 -1.0 2.0
   42    43    46    47  -0.34150  1.0 3.0
   42    43    46    48   0.23400  1.0 3.0
   43    45    49    50   3.62500 -1.0 2.0
   43    45    49    52   3.62500 -1.0 2.0
   43    45    57    56   3.62500 -1.0 2.0
   43    45    57    58   3.62500 -1.0 2.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    45    57   0.00000  1.0 1.0
   44    43    46    33   0.15000  1.0 3.0
   44    43    46    47   0.23400  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   45    43    46    33  -0.03700  1.0 1.0
   45    43    46    33   0.37200 -1.0 2.0
   45    43    46    33  -0.47300  1.0 3.0
   45    43    46    47  -0.64350  1.0 1.0
   45    43    46    47  -0.04200 -1.0 2.0
   45    43    46    47   0.19800  1.0 3.0
   45    43    46    48   0.43200  1.0 3.0
   45    49    50    51   3.62500 -1.0 2.0
   45    49   -50    56   3.62500 -1.0 2.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    54   0.00000  1.0 1.0
   45    49    52    55   0.00000  1.0 1.0
   45    57    58    59   0.00000  1.0 1.0
   45    57    58    60   0.00000  1.0 1.0
   45    57    58    61   0.18050 -1.0 2.0
   49    45   -57    56   3.62500 -1.0 2.0
   49    45    57    58   3.62500 -1.0 2.0
   49    50   -56    57   3.62500 -1.0 2.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    54   0.00000  1.0 1.0
   50    49    52    55   0.00000  1.0 1.0
   50    56   -57    45   3.62500 -1.0 2.0
   50    56    57    58   3.62500 -1.0 2.0
   51    50    56    57   3.62500 -1.0 2.0
   56    57    58    59   0.00000  1.0 1.0
   56    57    58    60   0.00000  1.0 1.0
   56    57    58    61   0.04300 -1.0 2.0
   57    45   -49    50   3.62500 -1.0 2.0
   57    45    49    52   3.62500 -1.0 2.0
   57    58    61    62   1.44450  1.0 1.0
   57    58    61    62   0.06600 -1.0 2.0
   57    58    61    62   0.29250  1.0 3.0
   57    58    61    64   0.09700  1.0 1.0
   57    58    61    64   0.15600 -1.0 2.0
   57    58    61    64  -0.50800  1.0 3.0
   58    61    62    63   7.00000 -1.0 2.0
   58    61    62    68   7.00000 -1.0 2.0
   58    61    64    65   0.34800  1.0 3.0
   58    61    64    66   0.34800  1.0 3.0
   58    61    64    67   0.34800  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    64   0.34800  1.0 3.0
   60    58    61    62   0.00000  1.0 1.0
   60    58    61    64   0.34800  1.0 3.0
   61    62    68    69   0.00000  1.0 1.0
   61    62    68    70   0.00000  1.0 1.0
   61    62    68    39   0.09850  1.0 1.0
   61    62    68    39   0.15250 -1.0 2.0
   61    62    68    39  -0.50650  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    66   0.00000  1.0 1.0
   62    61    64    67   0.00000  1.0 1.0
   62    68    39    33   0.34400  1.0 1.0
   62    68    39    33   0.09450 -1.0 2.0
   62    68    39    33   0.11100  1.0 3.0
   62    68    39    40   0.15000  1.0 3.0
   62    68    39    41   0.15000  1.0 3.0
   63    62    68    69   0.33100  1.0 3.0
   63    62    68    70   0.33100  1.0 3.0
   63    62    68    39   0.00000  1.0 1.0
   69    68    39    33   0.15000  1.0 3.0
   69    68    39    40   0.15000  1.0 3.0
   69    68    39    41   0.15000  1.0 3.0
   70    68    39    33   0.15000  1.0 3.0
   70    68    39    40   0.15000  1.0 3.0
   70    68    39    41   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.36750  1.0 3.0
   39    33    46    43   0.56750  1.0 1.0
   39    33    46    43  -0.07550 -1.0 2.0
   39    33    46    43   0.20000  1.0 3.0
   39    33    46    47   0.62750  1.0 1.0
   39    33    46    47  -0.30950 -1.0 2.0
   39    33    46    47   0.27300  1.0 3.0
   39    33    46    48   0.15000  1.0 3.0
   64    61    62    63   7.00000 -1.0 2.0
   64    61    62    68   7.00000 -1.0 2.0
   52    49    50    51   3.62500 -1.0 2.0
   52    49    50    56   3.62500 -1.0 2.0
   46    33    37    38   0.30150 -1.0 2.0
   46    33   -37    42   0.36750  1.0 3.0
   46    33    39    68   0.56750  1.0 1.0
   46    33    39    68  -0.07550 -1.0 2.0
   46    33    39    68   0.20000  1.0 3.0
   46    33    39    40   0.15000  1.0 3.0
   46    33    39    41   0.15000  1.0 3.0
   46    43    45    49   0.04150 -1.0 2.0
   46    43    45    57   0.04150 -1.0 2.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   49    57    45    43   4.00000 -1.0 2.0
   50    52    49    45   4.00000 -1.0 2.0
   56    51    50    49   1.10000 -1.0 2.0
   56    58    57    45   4.00000 -1.0 2.0
   58    64    61    62   1.10000 -1.0 2.0
   68    63    62    61   1.10000 -1.0 2.0
END
