* LIGAND DATABASE FILE (OPLS2005)
*
001      74    74    134    182     381
    1     0 S   NP   _N1_     1    30.27705    95.16917   -16.20083
    2     1 S   H    _HN1     2     1.03292   107.87345     6.33568
    3     1 S   H    _H1_     3     1.03661   124.12380   129.13925
    4     1 S   H    _H2_     4     1.02720    19.38284    98.59441
    5     1 S   CT   _CA1     5     1.49708    94.92690  -110.39887
    6     5 S   HC   _HA1     6     1.09725   104.58916    53.35402
    7     5 S   CO3  _C1_     7     1.54371   110.98099   -62.16963
    8     7 S   O2Z  _O11     8     1.26635   113.87733    68.45364
    9     7 S   O2Z  _O12     9     1.26048   116.78685  -110.76477
   10     5 S   CT   _CB1    10     1.53273   107.21710   168.67971
   11    10 S   HC   HB11    11     1.09828   109.38066   -51.34249
   12    10 S   HC   HB12    12     1.09727   110.01444    65.10381
   13    10 S   CT   _CG1    13     1.53097   112.28316  -172.70324
   14    13 S   HC   HG11    14     1.09525   111.00747   -79.98201
   15    13 S   HC   HG12    15     1.09687   109.89848    38.63287
   16    13 S   C    _CD1    16     1.51567   113.58812   158.53453
   17    16 S   O    _OE1    17     1.23029   121.07862  -126.88897
   18    16 S   N    _N2_    18     1.38211   114.10521    55.94809
   19    18 S   H    _HN2    19     1.01690   119.69888    -0.80503
   20    18 S   CT1  _CA2    20     1.45906   122.47165   174.85711
   21    20 S   HC   _HA2    21     1.09687   109.98432    18.27702
   22    20 S   C    _C2_    22     1.52752   104.62911   -98.88284
   23    22 S   O    _O2_    23     1.22958   122.52804   -83.02563
   24    20 S   CT   _CB2    32     1.53038   112.08571   141.24825
   25    24 S   HC   HB21    33     1.09404   110.74377    51.63338
   26    24 S   HC   HB22    34     1.09544   109.60274   170.74526
   27    22 S   N    _N3_    24     1.38614   112.77287    92.66827
   28    27 S   H    _HN3    25     1.01545   119.56878     3.70544
   29    24 S   S    _SG2    35     1.82561   110.41095   -69.76100
   30    27 S   CT   _CA3    26     1.45454   123.04793  -179.55589
   31    30 S   HC   HA31    27     1.09530   109.14699    27.56860
   32    30 S   HC   HA32    28     1.09498   107.16035   144.50391
   33    29 S   CT   _C7_    36     1.84035    99.67126  -174.78583
   34    33 S   HC   _H6_    37     1.09724   105.74777    45.12743
   35    30 S   CO3  _C3_    29     1.52917   113.21146   -95.83662
   36    35 S   O2Z  _O31    30     1.26401   115.44613   -45.33539
   37    35 S   O2Z  _O32    31     1.26366   114.99547   135.62822
   38    33 S   CT   _C6_    38     1.55231   109.63543   160.68651
   39    38 S   HC   _H5_    39     1.09754   108.84146   -57.10805
   40    38 S   CT   _C5_    40     1.54250   110.43339  -176.55713
   41    40 S   HC   _H4_    41     1.09646   108.80623  -173.39040
   42    38 S   OS   _O44    69     1.42555   110.31828    63.16458
   43    40 S   CT   _C4_    42     1.54218   112.62891   -52.84035
   44    43 S   HC   _H3_    43     1.09656   109.81790   171.32158
   45    40 S   OS   _O48    64     1.42938   108.60824    66.80609
   46    42 S   P2   _P4_    70     1.62603   120.55141  -135.87071
   47    46 S   O2Z  _O47    71     1.51140   109.42561   -71.89040
   48    46 S   O2Z  _O45    72     1.51163   109.97622    63.71646
   49    43 S   CT   _C9_    44     1.54090   111.31947    51.41998
   50    49 S   HC   _H8_    45     1.09793   107.68205    64.26787
   51    43 S   OH   _O52    62     1.42720   110.37084   -71.61716
   52    51 S   HO   _H10    63     0.97168   107.74203   -48.96063
   53    45 S   P3   _P5_    65     1.64816   119.44870   109.72649
   54    53 S   O2Z  _O50    66     1.52545   103.63458   179.76593
   55    53 S   O2Z  _O51    67     1.52535   104.61212    60.01788
   56    53 S   O2Z  _O49    68     1.52463   104.58677   -60.68475
   57    46 S   OS   _O46    73     1.63139    97.85548   175.84635
   58    57 S   HO   _H9_    74     0.97988   116.29421   -71.01636
   59    33 S   CT   _C8_    46     1.54803   112.93233   -73.33296
   60    59 S   HC   _H7_    47     1.09522   111.34128    58.87410
   61    49 S   OS   _O33    57     1.42790   109.96403  -177.85936
   62    59 S   OS   _O37    48     1.42525   109.77328   -62.12256
   63    61 S   P3   _P1_    58     1.65058   118.90581  -112.89017
   64    63 S   O2Z  _O35    59     1.52536   104.05625   179.27936
   65    63 S   O2Z  _O36    60     1.52568   104.65749    59.62723
   66    63 S   O2Z  _O34    61     1.52613   104.59376   -60.80777
   67    62 S   P2   _P2_    49     1.63155   121.65551   122.57348
   68    67 S   O2Z  _O39    50     1.51196   108.64176    91.06351
   69    67 S   O2Z  _O38    51     1.51492   109.74717   -43.21843
   70    67 S   OS   _O40    52     1.62818    97.40780  -155.70642
   71    70 S   P3   _P3_    53     1.63813   132.12430  -166.42025
   72    71 S   O2Z  _O42    54     1.52796   103.57876  -152.30356
   73    71 S   O2Z  _O43    55     1.52361   104.84867    87.81573
   74    71 S   O2Z  _O41    56     1.52568   105.24137   -33.22199
  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
  16   8   2   1   1  17   7  16   7   8  12   7   6   4   3   2
  12   6   3   1   3   2   1   1   1   1   8   3   5   5   3   2
   1   1   7   3   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    59    60    62    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    59    60    62    67    61    45    42    46  
   38    39    40    49    59    60    62    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    59    60    62    51    45    53    42    46    47    48    57  
   40    41    43    59    45    42    46  
   41    43    44    49    50    59    61    51    52    45    53    54    55    56    42    46  
   43    44    49    51    45    53    42  
   46    47    48    57    58    43    45    59  
   44    49    50    59    60    62    61    63    51    52    45    53  
   49    50    59    61    51    52    45  
   53    54    55    56    49    51  
   47    48    57    58  
   48    57    58  
   57    58  
   50    59    60    62    67    61    63    64    65    66    51    52  
   59    60    62    61    63    51  
   52    59    61  
    0  
   54    55    56  
   55    56  
   56  
    0  
   58  
    0  
   60    62    67    68    69    70    61    63  
   62    67    61  
   63    64    65    66    62  
   67    68    69    70    71  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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   0.140000   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   54   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   55   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   56   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   57   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   62   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   64   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   66   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   67   3.7400   0.2000   1.331700   2.1070   1.8700   0.005000000   0.000000000
   68   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   69   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   70   2.8500   0.1400  -0.494300   1.5900   1.4000   0.020110767  -0.896042159
   71   3.7400   0.2000   1.872500   2.1070   1.8700   0.005000000   0.000000000
   72   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   73   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   74   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    59   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    51   320.000  1.410
   49    50   340.000  1.090
   49    59   268.000  1.529
   49    61   320.000  1.410
   59    60   340.000  1.090
   59    62   320.000  1.410
   62    67   230.000  1.697
   67    68   525.000  1.480
   67    69   525.000  1.480
   67    70   230.000  1.697
   70    71   230.000  1.630
   71    72   525.000  1.516
   71    73   525.000  1.516
   71    74   525.000  1.516
   61    63   230.000  1.630
   63    64   525.000  1.516
   63    65   525.000  1.516
   63    66   525.000  1.516
   51    52   553.000  0.945
   45    53   230.000  1.630
   53    54   525.000  1.516
   53    55   525.000  1.516
   53    56   525.000  1.516
   42    46   230.000  1.697
   46    47   525.000  1.480
   46    48   525.000  1.480
   46    57   230.000  1.697
   57    58   553.000  0.945
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    59    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    59    49    58.35000  112.70000
   33    59    60    37.50000  110.70000
   33    59    62    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    46   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    49    58.35000  112.70000
   40    43    51    50.00000  109.50000
   40    45    53    80.00000  112.68000
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    59    58.35000  112.70000
   43    49    61    50.00000  109.50000
   43    51    52    55.00000  108.50000
   49    43    44    37.50000  110.70000
   49    59    60    37.50000  110.70000
   49    59    62    50.00000  109.50000
   49    61    63    80.00000  112.68000
   59    33    34    37.50000  110.70000
   59    33    38    58.35000  112.70000
   59    49    50    37.50000  110.70000
   59    62    67   100.00000  120.50000
   62    59    60    35.00000  109.50000
   62    67    68   100.00000  108.23000
   62    67    69   100.00000  108.23000
   62    67    70    45.00000  102.60000
   67    70    71    45.00000  143.19000
   69    67    68   140.00000  119.90000
   70    67    68   100.00000  108.23000
   70    67    69   100.00000  108.23000
   70    71    72   100.00000  107.00000
   70    71    73   100.00000  107.00000
   70    71    74   100.00000  107.00000
   73    71    72   140.00000  114.00000
   74    71    72   140.00000  114.00000
   74    71    73   140.00000  114.00000
   61    49    50    35.00000  109.50000
   61    49    59    50.00000  109.50000
   61    63    64   100.00000  107.00000
   61    63    65   100.00000  107.00000
   61    63    66   100.00000  107.00000
   65    63    64   140.00000  114.00000
   66    63    64   140.00000  114.00000
   66    63    65   140.00000  114.00000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    53    54   100.00000  107.00000
   45    53    55   100.00000  107.00000
   45    53    56   100.00000  107.00000
   55    53    54   140.00000  114.00000
   56    53    54   140.00000  114.00000
   56    53    55   140.00000  114.00000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  108.23000
   42    46    48   100.00000  108.23000
   42    46    57    45.00000  102.60000
   46    57    58    45.00000  108.50000
   48    46    47   140.00000  119.90000
   57    46    47   100.00000  108.23000
   57    46    48   100.00000  108.23000
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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    59    49   0.44750  1.0 1.0
   29    33    59    49  -0.17800 -1.0 2.0
   29    33    59    49   0.20200  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    62   0.56750  1.0 1.0
   29    33    59    62  -0.07550 -1.0 2.0
   29    33    59    62   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    59    62    67  -2.65550  1.0 1.0
   33    59    62    67  -0.22350 -1.0 2.0
   33    59    62    67   0.24150  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    42   0.23400  1.0 3.0
   34    33    59    49   0.15000  1.0 3.0
   34    33    59    60   0.15000  1.0 3.0
   34    33    59    62   0.23400  1.0 3.0
   38    33    59    49   0.56750  1.0 1.0
   38    33    59    49  -0.07550 -1.0 2.0
   38    33    59    49   0.20000  1.0 3.0
   38    33    59    60   0.15000  1.0 3.0
   38    33    59    62   0.62750  1.0 1.0
   38    33    59    62  -0.30950 -1.0 2.0
   38    33    59    62   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.56750  1.0 1.0
   38    40   -43    49  -0.07550 -1.0 2.0
   38    40   -43    49   0.20000  1.0 3.0
   38    40    43    51   0.86500  1.0 1.0
   38    40    43    51  -0.17500 -1.0 2.0
   38    40    43    51   0.20800  1.0 3.0
   38    40    45    53  -2.65550  1.0 1.0
   38    40    45    53  -0.22350 -1.0 2.0
   38    40    45    53   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    57   0.05050  1.0 1.0
   38    42    46    57  -1.30700 -1.0 2.0
   38    42    46    57   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    59   0.56750  1.0 1.0
   40    43    49    59  -0.07550 -1.0 2.0
   40    43    49    59   0.20000  1.0 3.0
   40    43    49    61   0.62750  1.0 1.0
   40    43    49    61  -0.30950 -1.0 2.0
   40    43    49    61   0.27300  1.0 3.0
   40    43    51    52  -0.11600  1.0 1.0
   40    43    51    52  -0.09450 -1.0 2.0
   40    43    51    52   0.21250  1.0 3.0
   40    45    53    54   0.00000  1.0 1.0
   40    45    53    55   0.00000  1.0 1.0
   40    45    53    56   0.00000  1.0 1.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    45    53   0.03000  1.0 3.0
   43    40    45    53  -2.65550  1.0 1.0
   43    40    45    53  -0.22350 -1.0 2.0
   43    40    45    53   0.24150  1.0 3.0
   43    49   -59    33   0.56750  1.0 1.0
   43    49   -59    33  -0.07550 -1.0 2.0
   43    49   -59    33   0.20000  1.0 3.0
   43    49    59    60   0.15000  1.0 3.0
   43    49    59    62   0.62750  1.0 1.0
   43    49    59    62  -0.30950 -1.0 2.0
   43    49    59    62   0.27300  1.0 3.0
   43    49    61    63  -2.65550  1.0 1.0
   43    49    61    63  -0.22350 -1.0 2.0
   43    49    61    63   0.24150  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    59   0.15000  1.0 3.0
   44    43    49    61   0.23400  1.0 3.0
   44    43    51    52   0.19450  1.0 3.0
   49    43    51    52  -0.11600  1.0 1.0
   49    43    51    52  -0.09450 -1.0 2.0
   49    43    51    52   0.21250  1.0 3.0
   49    59    62    67  -2.65550  1.0 1.0
   49    59    62    67  -0.22350 -1.0 2.0
   49    59    62    67   0.24150  1.0 3.0
   49    61    63    64   0.00000  1.0 1.0
   49    61    63    65   0.00000  1.0 1.0
   49    61    63    66   0.00000  1.0 1.0
   50    49    59    33   0.15000  1.0 3.0
   50    49    59    60   0.15000  1.0 3.0
   50    49    59    62   0.23400  1.0 3.0
   50    49    61    63   0.03000  1.0 3.0
   59    33    38    39   0.15000  1.0 3.0
   59    33   -38    40   0.56750  1.0 1.0
   59    33   -38    40  -0.07550 -1.0 2.0
   59    33   -38    40   0.20000  1.0 3.0
   59    33    38    42   0.62750  1.0 1.0
   59    33    38    42  -0.30950 -1.0 2.0
   59    33    38    42   0.27300  1.0 3.0
   59    49    61    63  -2.65550  1.0 1.0
   59    49    61    63  -0.22350 -1.0 2.0
   59    49    61    63   0.24150  1.0 3.0
   59    62    67    68   0.00000  1.0 1.0
   59    62    67    69   0.00000  1.0 1.0
   59    62    67    70   0.05050  1.0 1.0
   59    62    67    70  -1.30700 -1.0 2.0
   59    62    67    70   0.91550  1.0 3.0
   60    59    62    67   0.03000  1.0 3.0
   62    67    70    71   0.15000  1.0 3.0
   67    70    71    72   0.50000  1.0 3.0
   67    70    71    73   0.50000  1.0 3.0
   67    70    71    74   0.50000  1.0 3.0
   68    67    70    71   0.50000  1.0 3.0
   69    67    70    71   0.50000  1.0 3.0
   61    49    59    33   0.62750  1.0 1.0
   61    49    59    33  -0.30950 -1.0 2.0
   61    49    59    33   0.27300  1.0 3.0
   61    49    59    60   0.23400  1.0 3.0
   61    49    59    62   1.11900  1.0 1.0
   61    49    59    62  -1.16350 -1.0 2.0
   61    49    59    62  -0.34150  1.0 3.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    59   0.86500  1.0 1.0
   51    43    49    59  -0.17500 -1.0 2.0
   51    43    49    59   0.20800  1.0 3.0
   51    43    49    61   3.69350  1.0 1.0
   51    43    49    61  -1.82950 -1.0 2.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   0.62750  1.0 1.0
   45    40    43    49  -0.30950 -1.0 2.0
   45    40    43    49   0.27300  1.0 3.0
   45    40    43    51   3.69350  1.0 1.0
   45    40    43    51  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  1.0 3.0
   42    46    57    58   0.00000  1.0 1.0
   47    46    57    58   0.00000  1.0 1.0
   48    46    57    58   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
