* LIGAND DATABASE FILE (OPLS2005)
*
001      74    74    134    182     381
    1     0 S   NP   _N1_     1    28.17306    98.28132   -22.72530
    2     1 S   H    _HN1     2     1.02777   110.89211  -117.71011
    3     1 S   H    _H1_     3     1.02957    67.99541   -15.64930
    4     1 S   H    _H2_     4     1.02835    40.36380   148.93393
    5     1 S   CT   _CA1     5     1.50159   134.46917    81.81475
    6     5 S   HC   _HA1     6     1.09576   105.17474    98.87051
    7     5 S   CO3  _C1_     7     1.53752   112.29018   -21.25879
    8     7 S   O2Z  _O11     8     1.26370   114.98010   -44.50387
    9     7 S   O2Z  _O12     9     1.26219   114.91752   134.34329
   10     5 S   CT   _CB1    10     1.53071   107.39479  -143.26564
   11    10 S   HC   HB11    11     1.09835   109.25086   -50.13401
   12    10 S   HC   HB12    12     1.09813   110.46737    66.38454
   13    10 S   CT   _CG1    13     1.53064   112.74948  -171.16327
   14    13 S   HC   HG11    14     1.09584   110.58679   -66.37425
   15    13 S   HC   HG12    15     1.09661   109.84473    52.87117
   16    13 S   C    _CD1    16     1.51869   112.10695   173.20344
   17    16 S   O    _OE1    17     1.22782   123.19153     5.59240
   18    16 S   N    _N2_    18     1.38549   111.90738  -174.36887
   19    18 S   H    _HN2    19     1.01587   119.25742     2.82632
   20    18 S   CT1  _CA2    20     1.45914   122.70751   177.07571
   21    20 S   HC   _HA2    21     1.09715   108.78833    28.69867
   22    20 S   C    _C2_    22     1.52936   106.51121   -88.52262
   23    22 S   O    _O2_    23     1.23021   122.87169   -32.18736
   24    20 S   CT   _CB2    32     1.53140   112.40142   152.03448
   25    24 S   HC   HB21    33     1.09598   110.05460    54.66548
   26    24 S   HC   HB22    34     1.09447   110.01789   173.43442
   27    22 S   N    _N3_    24     1.38490   112.80267   150.04005
   28    27 S   H    _HN3    25     1.01661   120.38311    -0.14537
   29    24 S   S    _SG2    35     1.82763   111.07853   -65.96607
   30    27 S   CT   _CA3    26     1.45389   122.32200   178.90532
   31    30 S   HC   HA31    27     1.09562   107.27819   -68.58102
   32    30 S   HC   HA32    28     1.09576   108.14769    47.73018
   33    29 S   CT   _C7_    36     1.84797    99.34436   171.42334
   34    33 S   HC   _H6_    37     1.09612   106.08616   -40.13087
   35    30 S   CO3  _C3_    29     1.52868   114.56551   169.92110
   36    35 S   O2Z  _O31    30     1.26299   116.16711    -0.58417
   37    35 S   O2Z  _O32    31     1.26477   114.36495   179.56795
   38    33 S   CT   _C8_    38     1.54568   110.32595    77.48191
   39    38 S   HC   _H7_    39     1.09460   111.04700   -36.86470
   40    38 S   CT   _C9_    40     1.53489   112.35705    83.38297
   41    40 S   HC   _H8_    41     1.09642   107.62182   -66.03935
   42    38 S   OS   _O37    66     1.43407   109.45603  -154.42409
   43    40 S   CT   _C4_    42     1.53151   112.58023    53.62629
   44    43 S   HC   _H3_    43     1.09263   108.76585   178.52714
   45    40 S   OS   _O33    61     1.42858   110.23764   176.48944
   46    42 S   P2   _P2_    67     1.63826   118.49967    94.75390
   47    46 S   O2Z  _O39    68     1.51279   108.99934   -81.39205
   48    46 S   O2Z  _O38    69     1.51581   109.16311    50.96052
   49    43 S   CT   _C5_    44     1.53259   109.97816   -60.88914
   50    49 S   HC   _H4_    45     1.09671   109.13820   175.28769
   51    43 S   OH   _O52    59     1.42692   112.20585    62.59087
   52    51 S   HO   _H10    60     0.97532   108.89453   -53.50521
   53    45 S   P3   _P1_    62     1.65194   118.58243   134.26726
   54    53 S   O2Z  _O35    63     1.52509   103.94821   174.72471
   55    53 S   O2Z  _O36    64     1.52676   104.83509    54.80426
   56    53 S   O2Z  _O34    65     1.52552   104.47029   -65.46417
   57    46 S   OS   _O40    70     1.62541    99.93281   163.34211
   58    33 S   CT   _C6_    46     1.55327   109.68641  -154.91528
   59    58 S   HC   _H5_    47     1.09780   108.51361    34.38478
   60    49 S   OS   _O48    53     1.42927   110.95435   -65.12334
   61    57 S   P3   _P3_    71     1.63783   133.99879    68.05382
   62    61 S   O2Z  _O42    72     1.52731   103.63696  -176.50868
   63    61 S   O2Z  _O43    73     1.52482   104.79804    64.27040
   64    61 S   O2Z  _O41    74     1.52339   104.87577   -56.92895
   65    58 S   OS   _O44    48     1.43511   108.23745   150.68624
   66    60 S   P2   _P5_    54     1.63074   121.87584   -70.47906
   67    66 S   O2Z  _O51    55     1.51147   111.13234   -11.19818
   68    66 S   O2Z  _O49    56     1.51341   108.24432  -145.58872
   69    65 S   P3   _P4_    49     1.65475   118.05397  -122.74870
   70    69 S   O2Z  _O46    50     1.52432   104.23155  -178.14396
   71    69 S   O2Z  _O47    51     1.52634   104.51941    61.87802
   72    69 S   O2Z  _O45    52     1.52614   104.66889   -58.39752
   73    66 S   OS   _O50    57     1.62968    98.97877   102.66463
   74    73 S   HO   _H9_    58     0.98609   118.86561   -75.86840
  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   7   3   2
  12   6   3   1   3   2   1   1   4   8   3   6   3   2   1   1
   4   4   3   2   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    58    59    65    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    58    59    65    69    60    45    42    46  
   38    39    40    49    58    59    65    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    58    59    65    51    45    53    42    46    47    48    57  
   40    41    43    58    45    42    46  
   41    43    44    49    50    58    60    51    52    45    53    54    55    56    42    46  
   43    44    49    51    45    53    42  
   46    47    48    57    61    43    45    58  
   44    49    50    58    59    65    60    66    51    52    45    53  
   49    50    58    60    51    52    45  
   53    54    55    56    49    51  
   47    48    57    61    62    63    64  
   48    57    61  
   57    61  
   50    58    59    65    69    60    66    67    68    73    51    52  
   58    59    65    60    66    51  
   52    58    60  
    0  
   54    55    56  
   55    56  
   56  
    0  
   61    62    63    64  
   59    65    69    70    71    72    60    66  
   65    69    60  
   66    67    68    73    74    65  
   62    63    64  
   63    64  
   64  
    0  
   69    70    71    72  
   67    68    73    74  
   68    73    74  
   73    74  
   70    71    72  
   71    72  
   72  
    0  
   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   1.331700   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  -0.494300   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.7400   0.2000   1.872500   2.1070   1.8700   0.005000000   0.000000000
   62   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   63   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   64   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   65   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   67   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   68   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   69   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   70   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   71   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   72   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   73   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    58   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    58   268.000  1.529
   49    60   320.000  1.410
   58    59   340.000  1.090
   58    65   320.000  1.410
   65    69   230.000  1.630
   69    70   525.000  1.516
   69    71   525.000  1.516
   69    72   525.000  1.516
   60    66   230.000  1.697
   66    67   525.000  1.480
   66    68   525.000  1.480
   66    73   230.000  1.697
   73    74   553.000  0.945
   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    61   230.000  1.630
   61    62   525.000  1.516
   61    63   525.000  1.516
   61    64   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    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    58    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    58    49    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    65    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    58    58.35000  112.70000
   43    49    60    50.00000  109.50000
   43    51    52    55.00000  108.50000
   49    43    44    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    65    50.00000  109.50000
   49    60    66   100.00000  120.50000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    49    50    37.50000  110.70000
   58    65    69    80.00000  112.68000
   65    58    59    35.00000  109.50000
   65    69    70   100.00000  107.00000
   65    69    71   100.00000  107.00000
   65    69    72   100.00000  107.00000
   71    69    70   140.00000  114.00000
   72    69    70   140.00000  114.00000
   72    69    71   140.00000  114.00000
   60    49    50    35.00000  109.50000
   60    49    58    50.00000  109.50000
   60    66    67   100.00000  108.23000
   60    66    68   100.00000  108.23000
   60    66    73    45.00000  102.60000
   66    73    74    45.00000  108.50000
   68    66    67   140.00000  119.90000
   73    66    67   100.00000  108.23000
   73    66    68   100.00000  108.23000
   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    61    45.00000  143.19000
   48    46    47   140.00000  119.90000
   57    46    47   100.00000  108.23000
   57    46    48   100.00000  108.23000
   57    61    62   100.00000  107.00000
   57    61    63   100.00000  107.00000
   57    61    64   100.00000  107.00000
   63    61    62   140.00000  114.00000
   64    61    62   140.00000  114.00000
   64    61    63   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    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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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    58    49   0.44750  1.0 1.0
   29    33    58    49  -0.17800 -1.0 2.0
   29    33    58    49   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    65   0.56750  1.0 1.0
   29    33    58    65  -0.07550 -1.0 2.0
   29    33    58    65   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    58    65    69  -2.65550  1.0 1.0
   33    58    65    69  -0.22350 -1.0 2.0
   33    58    65    69   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    58    49   0.15000  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    65   0.23400  1.0 3.0
   38    33    58    49   0.56750  1.0 1.0
   38    33    58    49  -0.07550 -1.0 2.0
   38    33    58    49   0.20000  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    65   0.62750  1.0 1.0
   38    33    58    65  -0.30950 -1.0 2.0
   38    33    58    65   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    58   0.56750  1.0 1.0
   40    43    49    58  -0.07550 -1.0 2.0
   40    43    49    58   0.20000  1.0 3.0
   40    43    49    60   0.62750  1.0 1.0
   40    43    49    60  -0.30950 -1.0 2.0
   40    43    49    60   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   -58    33   0.56750  1.0 1.0
   43    49   -58    33  -0.07550 -1.0 2.0
   43    49   -58    33   0.20000  1.0 3.0
   43    49    58    59   0.15000  1.0 3.0
   43    49    58    65   0.62750  1.0 1.0
   43    49    58    65  -0.30950 -1.0 2.0
   43    49    58    65   0.27300  1.0 3.0
   43    49    60    66  -2.65550  1.0 1.0
   43    49    60    66  -0.22350 -1.0 2.0
   43    49    60    66   0.24150  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    58   0.15000  1.0 3.0
   44    43    49    60   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    58    65    69  -2.65550  1.0 1.0
   49    58    65    69  -0.22350 -1.0 2.0
   49    58    65    69   0.24150  1.0 3.0
   49    60    66    67   0.00000  1.0 1.0
   49    60    66    68   0.00000  1.0 1.0
   49    60    66    73   0.05050  1.0 1.0
   49    60    66    73  -1.30700 -1.0 2.0
   49    60    66    73   0.91550  1.0 3.0
   50    49    58    33   0.15000  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    65   0.23400  1.0 3.0
   50    49    60    66   0.03000  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33   -38    40   0.56750  1.0 1.0
   58    33   -38    40  -0.07550 -1.0 2.0
   58    33   -38    40   0.20000  1.0 3.0
   58    33    38    42   0.62750  1.0 1.0
   58    33    38    42  -0.30950 -1.0 2.0
   58    33    38    42   0.27300  1.0 3.0
   58    49    60    66  -2.65550  1.0 1.0
   58    49    60    66  -0.22350 -1.0 2.0
   58    49    60    66   0.24150  1.0 3.0
   58    65    69    70   0.00000  1.0 1.0
   58    65    69    71   0.00000  1.0 1.0
   58    65    69    72   0.00000  1.0 1.0
   59    58    65    69   0.03000  1.0 3.0
   60    49    58    33   0.62750  1.0 1.0
   60    49    58    33  -0.30950 -1.0 2.0
   60    49    58    33   0.27300  1.0 3.0
   60    49    58    59   0.23400  1.0 3.0
   60    49    58    65   1.11900  1.0 1.0
   60    49    58    65  -1.16350 -1.0 2.0
   60    49    58    65  -0.34150  1.0 3.0
   60    66    73    74   0.00000  1.0 1.0
   67    66    73    74   0.00000  1.0 1.0
   68    66    73    74   0.00000  1.0 1.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    58   0.86500  1.0 1.0
   51    43    49    58  -0.17500 -1.0 2.0
   51    43    49    58   0.20800  1.0 3.0
   51    43    49    60   3.69350  1.0 1.0
   51    43    49    60  -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    61   0.15000  1.0 3.0
   46    57    61    62   0.50000  1.0 3.0
   46    57    61    63   0.50000  1.0 3.0
   46    57    61    64   0.50000  1.0 3.0
   47    46    57    61   0.50000  1.0 3.0
   48    46    57    61   0.50000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
