* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    126    193     363
    1     0 S   NP   _N1_     1    31.41686   100.25013   -23.03665
    2     1 S   H    _HN1     2     1.02764    39.25047   -52.80584
    3     1 S   H    _H1_     3     1.02865    80.26716   172.95341
    4     1 S   H    _H2_     4     1.03515   144.61291   -80.65403
    5     1 S   CT   _CA1     5     1.50427    96.95177    63.35213
    6     5 S   HC   _HA1     6     1.09679   104.25295   145.42803
    7     5 S   CO3  _C1_     7     1.54194   111.54308    29.54667
    8     7 S   O2Z  _O11     8     1.26027   116.68065  -122.00827
    9     7 S   O2Z  _O12     9     1.26647   113.93883    57.57103
   10     5 S   CT   _CB1    10     1.53123   106.98796   -98.68629
   11    10 S   HC   HB11    11     1.09621   109.50199   -39.94796
   12    10 S   HC   HB12    12     1.09786   110.30188    75.59419
   13    10 S   CT   _CG1    13     1.53289   112.73349  -162.46887
   14    13 S   HC   HG11    14     1.09543   111.03455   -98.77384
   15    13 S   HC   HG12    15     1.09519   111.50294    20.51070
   16    13 S   C    _CD1    16     1.51504   109.70473   141.09349
   17    16 S   O    _OE1    17     1.22793   121.88879    88.64630
   18    16 S   N    _N2_    18     1.38541   112.47168   -88.31116
   19    18 S   H    _HN2    19     1.01609   119.11647    -4.28948
   20    18 S   CT1  _CA2    20     1.46106   123.70575   174.48292
   21    20 S   HC   _HA2    21     1.09728   109.06694   -12.63587
   22    20 S   C    _C2_    22     1.53772   108.70900  -128.04064
   23    22 S   O    _O2_    23     1.23061   122.21092  -155.99489
   24    20 S   CT   _CB2    32     1.53422   111.91017   109.69067
   25    24 S   HC   HB21    33     1.09493   110.53274    56.94931
   26    24 S   HC   HB22    34     1.09545   110.15824   174.58138
   27    22 S   N    _N3_    24     1.38390   113.85771    31.17629
   28    27 S   H    _HN3    25     1.01470   119.11372    -2.39621
   29    24 S   S    _SG2    35     1.82884   112.17441   -67.16969
   30    27 S   CT   _CA3    26     1.45305   123.39506   178.00032
   31    30 S   HC   HA31    27     1.09551   107.24939   -69.13193
   32    30 S   HC   HA32    28     1.09553   108.20311    47.24738
   33    29 S   CT   _C13    36     1.83136   100.26976   124.80537
   34    33 S   HC   _H9_    37     1.09411   108.29695    51.74177
   35    33 S   HC   _H10    38     1.09387   105.40121   166.88426
   36    30 S   CO3  _C3_    29     1.53014   114.28384   169.27083
   37    36 S   O2Z  _O31    30     1.26443   116.27298    -7.23085
   38    36 S   O2Z  _O32    31     1.26404   114.48235   172.88539
   39    33 S   CT   _C12    39     1.53376   112.70020   -72.51196
   40    39 S   HC   _H6_    40     1.09363   109.97501    55.32832
   41    39 S   CT   _C11    41     1.52676   114.62830   178.49676
   42    41 S   HC   _H5_    42     1.09511   108.57064  -158.14267
   43    41 S   CT   _C10    43     1.51854   103.62769    87.31468
   44    43 S   HC   _H4_    44     1.09481   112.18309   152.67222
   45    41 S   OS   _O35    65     1.41320   114.24942   -35.97573
   46    43 S   CO   _C9_    45     1.52847   103.06070    29.02758
   47    46 S   HC   _H3_    46     1.09675   111.18296  -131.82500
   48    43 S   OH   _O39    63     1.42779   110.84332   -87.55657
   49    48 S   HO   _H11    64     0.97222   107.53438  -176.05385
   50    45 S   P3   _P1_    66     1.64989   118.80078   -89.53033
   51    50 S   O2Z  _O37    67     1.52450   103.55990   176.07320
   52    50 S   O2Z  _O38    68     1.52529   104.65894    56.23386
   53    50 S   O2Z  _O36    69     1.52530   104.37662   -64.17026
   54    46 S   N*   _N7_    47     1.45149   114.79353   106.64376
   55    39 S   OS   _O34    62     1.44113   110.15385   -63.47978
   56    54 S   CRAB _C4_    48     1.37608   124.58710   111.24372
   57    56 S   HA   _H7_    49     1.08185   122.31942    -0.99367
   58    56 S   NNA  _N4_    50     1.31795   112.39870   178.75856
   59    58 S   CB   _C5_    51     1.36408   103.98540    -0.04423
   60    54 S   CN   _C8_    52     1.36648   128.70489   -69.69930
   61    60 S   NNC  _N6_    53     1.35173   127.03473     1.32471
   62    61 S   CDX  _C7_    54     1.31180   113.70513  -179.16843
   63    62 S   NNB  _N5_    55     1.40646   122.74799    -0.01978
   64    63 S   H    _H8_    56     1.01416   117.88760   178.65477
   65    62 S   NND  _N8_    59     1.36657   121.52091   179.82306
   66    65 S   H    _H12    60     1.01420   120.41613     1.44442
   67    65 S   H    _H13    61     1.01333   121.83589  -176.71944
   68    59 S   C    _C6_    57     1.43912   128.71322  -179.51867
   69    68 S   O    _O33    58     1.22514   124.05177    -0.25869
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1  12   6  14   7  11   7   7  11   5   3
   1   3   2   1   1   9   2   6   3   6   7   6   7   7   6   3
   3   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    55  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    55    45  
   35    39    40    41    55  
   39    40    41    55  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    54    55    48    45    50  
   41    42    43    46    55    45  
   42    43    44    46    47    54    55    48    49    45    50    51    52    53  
   43    44    46    55    48    45    50  
   44    46    47    54    56    60    55    48    49    45    50  
   46    47    54    55    48    49    45  
   50    51    52    53    46    48    55  
   47    54    56    57    58    59    60    61    55    48    49  
   54    56    60    55    48  
   49    54    55  
    0  
   51    52    53  
   52    53  
   53  
    0  
   56    57    58    59    60    61    62    68    55  
   56    60  
   57    58    59    60    61    68  
   58    59    60  
   59    60    61    63    68    69  
   60    61    62    63    64    68    69  
   61    62    63    68    69    65  
   62    63    64    68    65    66    67  
   63    64    68    69    65    66    67  
   64    68    69    65    66    67  
   68    69    65  
   66    67    68  
   67  
    0  
   69  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   51   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   52   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   54   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   58   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   59   3.5000   0.0800   0.120000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0800   0.340000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.2500   0.1700  -0.510000   1.9250   1.7000   0.054801302  -2.445846770
   62   3.5000   0.0800   0.460000   2.1120   1.8750   0.001000000  -0.126889456
   63   3.2500   0.1700  -0.560000   2.1120   1.8750   0.051222218  -2.220205820
   64   0.0000   0.0000   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   65   3.2500   0.1700  -0.800000   2.1120   1.8750   0.051222218  -2.220205820
   66   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   67   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.7500   0.1050   0.520000   1.9250   1.7000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.510000   1.5250   1.4250   0.001000000  -1.480495490
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    55   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    46   250.000  1.527
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    54   275.000  1.479
   46    55   320.000  1.380
   54    56   440.000  1.371
   54    60   436.000  1.374
   56    57   367.000  1.080
   56    58   529.000  1.304
   58    59   414.000  1.391
   59    60   520.000  1.370
   59    68   447.000  1.419
   60    61   461.000  1.354
   61    62   585.000  1.311
   62    63   427.000  1.381
   62    65   481.000  1.340
   63    64   434.000  1.010
   63    68   418.000  1.388
   68    69   570.000  1.229
   65    66   434.000  1.010
   65    67   434.000  1.010
   48    49   553.000  0.945
   45    50   230.000  1.630
   50    51   525.000  1.516
   50    52   525.000  1.516
   50    53   525.000  1.516
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    55    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    55    46    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    46    75.00000  109.43000
   41    43    48    50.00000  109.50000
   41    45    50    80.00000  112.68000
   43    41    42    37.50000  110.70000
   43    46    47    45.00000  112.01100
   43    46    54    75.00000  107.44000
   43    46    55    90.00000  108.56700
   43    48    49    55.00000  108.50000
   46    43    44    45.00000  108.72000
   46    54    56    70.00000  128.80000
   46    54    60    70.00000  125.80000
   54    46    47    55.00000  103.44000
   54    56    57    35.00000  123.05000
   54    56    58    70.00000  113.90000
   54    60    59    70.00000  106.20000
   54    60    61    70.00000  126.20000
   56    58    59    70.00000  103.80000
   58    56    57    35.00000  123.05000
   58    59    60    70.00000  110.40000
   58    59    68    70.00000  130.00000
   59    60    61    70.00000  127.70000
   59    68    63    70.00000  111.30000
   59    68    69    80.00000  128.80000
   60    54    56    70.00000  105.40000
   60    61    62    70.00000  112.20000
   61    62    63    70.00000  123.30000
   61    62    65    70.00000  119.30000
   62    63    64    35.00000  118.00000
   62    63    68    70.00000  125.20000
   62    65    66    35.00000  120.00000
   62    65    67    35.00000  120.00000
   63    68    69    80.00000  120.60000
   68    59    60    85.00000  119.20000
   68    63    64    35.00000  116.80000
   65    62    63    70.00000  116.00000
   67    65    66    35.00000  120.00000
   55    39    40    35.00000  109.50000
   55    39    41    50.00000  109.50000
   55    46    47    35.00000  109.50000
   55    46    54   105.00000  106.22000
   48    43    44    35.00000  109.50000
   48    43    46    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
   45    50    51   100.00000  107.00000
   45    50    52   100.00000  107.00000
   45    50    53   100.00000  107.00000
   52    50    51   140.00000  114.00000
   53    50    51   140.00000  114.00000
   53    50    52   140.00000  114.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    55   0.56750  1.0 1.0
   29    33    39    55  -0.07550 -1.0 2.0
   29    33    39    55   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.62750  1.0 1.0
   33    39    41    45  -0.30950 -1.0 2.0
   33    39    41    45   0.27300  1.0 3.0
   33    39    55    46   0.06250  1.0 1.0
   33    39    55    46  -0.01100 -1.0 2.0
   33    39    55    46   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    55   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    55   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    46   3.97050  1.0 1.0
   39    41    43    48   0.86500  1.0 1.0
   39    41    43    48  -0.17500 -1.0 2.0
   39    41    43    48   0.20800  1.0 3.0
   39    41    45    50  -2.65550  1.0 1.0
   39    41    45    50  -0.22350 -1.0 2.0
   39    41    45    50   0.24150  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    55    46   0.37050  1.0 3.0
   41    39   -55    46   0.06250  1.0 1.0
   41    39   -55    46  -0.01100 -1.0 2.0
   41    39   -55    46   0.28050  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    54  -0.64600  1.0 1.0
   41    43    46    54   0.58400 -1.0 2.0
   41    43   -46    55   0.62750  1.0 1.0
   41    43   -46    55  -0.30950 -1.0 2.0
   41    43   -46    55   0.27300  1.0 3.0
   41    43    48    49  -0.11600  1.0 1.0
   41    43    48    49  -0.09450 -1.0 2.0
   41    43    48    49   0.21250  1.0 3.0
   41    45    50    51   0.00000  1.0 1.0
   41    45    50    52   0.00000  1.0 1.0
   41    45    50    53   0.00000  1.0 1.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    48   0.23400  1.0 3.0
   42    41    45    50   0.03000  1.0 3.0
   43    41    45    50  -2.65550  1.0 1.0
   43    41    45    50  -0.22350 -1.0 2.0
   43    41    45    50   0.24150  1.0 3.0
   43    46    54    56   1.10250  1.0 1.0
   43    46    54    56   0.01650 -1.0 2.0
   43    46    54    56   0.39100  1.0 3.0
   43    46    54    60   1.10250  1.0 1.0
   43    46    54    60   0.01650 -1.0 2.0
   43    46    54    60   0.39100  1.0 3.0
   43    46   -55    39   0.06250  1.0 1.0
   43    46   -55    39  -0.01100 -1.0 2.0
   43    46   -55    39   0.28050  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    54   0.15000  1.0 3.0
   44    43    46    55   0.23400  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   46    54    56    57   3.62500 -1.0 2.0
   46    54    56    58   3.62500 -1.0 2.0
   46    54    60    59   0.81400  1.0 1.0
   46    54    60    59   1.55550 -1.0 2.0
   46    54    60    61   3.62500 -1.0 2.0
   47    46    54    56   0.00000  1.0 1.0
   47    46    54    60   0.00000  1.0 1.0
   47    46    55    39   0.37050  1.0 3.0
   54    46    55    39  -2.37750  1.0 1.0
   54    46    55    39  -0.08150 -1.0 2.0
   54    46    55    39   0.59000  1.0 3.0
   54    56   -58    59   3.62500 -1.0 2.0
   54    60    61    62   1.25000 -1.0 2.0
   56    54   -60    59   0.70250  1.0 1.0
   56    54   -60    59   1.56150 -1.0 2.0
   56    54    60    61   3.62500 -1.0 2.0
   56    58   -59    60   3.62500 -1.0 2.0
   56    58    59    68   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   58    59   -60    54   3.62500 -1.0 2.0
   58    59    60    61   3.62500 -1.0 2.0
   58    59    68    63   5.37500 -1.0 2.0
   58    59    68    69   0.41000 -1.0 2.0
   59    60    61    62   3.62500 -1.0 2.0
   60    54    56    57   3.62500 -1.0 2.0
   60    54   -56    58   3.62500 -1.0 2.0
   60    59    68    63   1.50000 -1.0 2.0
   60    59    68    69   1.05000 -1.0 2.0
   60    61   -62    63   3.62500 -1.0 2.0
   60    61    62    65   3.62500 -1.0 2.0
   61    62    63    64   3.62500 -1.0 2.0
   61    62    63    68   3.62500 -1.0 2.0
   61    62    65    66   0.70000 -1.0 2.0
   61    62    65    67   0.70000 -1.0 2.0
   62    63   -68    59   1.52500 -1.0 2.0
   62    63    68    69   3.04450 -1.0 2.0
   63    62    65    66   1.01500 -1.0 2.0
   63    62    65    67   1.01500 -1.0 2.0
   64    63    68    59   1.52500 -1.0 2.0
   64    63    68    69   2.45000 -1.0 2.0
   68    59    60    54   3.62500 -1.0 2.0
   68    59   -60    61   3.62500 -1.0 2.0
   65    62    63    64   3.62500 -1.0 2.0
   65    62    63    68   3.62500 -1.0 2.0
   55    39    41    42   0.23400  1.0 3.0
   55    39   -41    43   0.62750  1.0 1.0
   55    39   -41    43  -0.30950 -1.0 2.0
   55    39   -41    43   0.27300  1.0 3.0
   55    39    41    45   1.11900  1.0 1.0
   55    39    41    45  -1.16350 -1.0 2.0
   55    39    41    45  -0.34150  1.0 3.0
   55    46    54    56   0.10350  1.0 1.0
   55    46    54    56  -0.15350 -1.0 2.0
   55    46    54    60   0.10350  1.0 1.0
   55    46    54    60  -0.15350 -1.0 2.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    54   2.76900  1.0 1.0
   48    43    46    54  -0.24350 -1.0 2.0
   48    43    46    54  -0.78250  1.0 3.0
   48    43    46    55   3.69350  1.0 1.0
   48    43    46    55  -1.82950 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    46   0.62750  1.0 1.0
   45    41    43    46  -0.30950 -1.0 2.0
   45    41    43    46   0.27300  1.0 3.0
   45    41    43    48   3.69350  1.0 1.0
   45    41    43    48  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   56    60    54    46   4.00000 -1.0 2.0
   58    57    56    54   1.10000 -1.0 2.0
   60    68    59    58   4.00000 -1.0 2.0
   59    61    60    54   4.00000 -1.0 2.0
   63    65    62    61  10.50000 -1.0 2.0
   64    62    63    68   1.00000 -1.0 2.0
   59    63    68    69  10.50000 -1.0 2.0
   67    62    65    66   1.00000 -1.0 2.0
END
