* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    225     420
    1     0 S   NP   _N1_     1    28.02417    96.34578   -22.40416
    2     1 S   H    _HN1     2     1.02835    33.32859   135.69030
    3     1 S   H    _H1_     3     1.02776   101.03045  -118.44848
    4     1 S   H    _H2_     4     1.02957    78.89621   -11.68403
    5     1 S   CT   _CA1     5     1.50130   139.25387    96.74344
    6     5 S   HC   _HA1     6     1.09575   105.21421    80.84296
    7     5 S   CO3  _C1_     7     1.53787   112.36840   -39.34902
    8     7 S   O2Z  _O11     8     1.26366   114.99551   -43.68791
    9     7 S   O2Z  _O12     9     1.26236   114.93426   135.40713
   10     5 S   CT   _CB1    10     1.53096   107.42181  -161.24191
   11    10 S   HC   HB11    11     1.09827   109.33519   -50.43724
   12    10 S   HC   HB12    12     1.09816   110.42597    66.12197
   13    10 S   CT   _CG1    13     1.53016   112.66918  -171.50405
   14    13 S   HC   HG11    14     1.09594   110.49217   -64.40526
   15    13 S   HC   HG12    15     1.09657   109.91671    54.79459
   16    13 S   C    _CD1    16     1.51839   112.32034   175.16787
   17    16 S   O    _OE1    17     1.22751   123.29233     0.41965
   18    16 S   N    _N2_    18     1.38559   111.70217  -179.54759
   19    18 S   H    _HN2    19     1.01552   119.04402     4.38682
   20    18 S   CT1  _CA2    20     1.45829   122.87301   178.16346
   21    20 S   HC   _HA2    21     1.09727   108.90624    24.85748
   22    20 S   C    _C2_    22     1.52927   107.01517   -92.26336
   23    22 S   O    _O2_    23     1.22984   123.03627   -27.11331
   24    20 S   CT   _CB2    32     1.53215   112.26163   148.05384
   25    24 S   HC   HB21    33     1.09485   109.90747    54.49463
   26    24 S   HC   HB22    34     1.09506   110.02390   173.59789
   27    22 S   N    _N3_    24     1.38498   112.58430   155.69541
   28    27 S   H    _HN3    25     1.01661   120.36049    -2.34935
   29    24 S   S    _SG2    35     1.82392   111.18026   -65.96949
   30    27 S   CT   _CA3    26     1.45350   122.44763   178.45541
   31    30 S   HC   HA31    27     1.09569   107.77245   -56.11554
   32    30 S   HC   HA32    28     1.09563   107.63580    60.20235
   33    29 S   CT   _C14    36     1.87958   100.22500  -169.03143
   34    33 S   HC   _H3_    37     1.08954   103.27882    46.65235
   35    30 S   CO3  _C3_    29     1.52878   114.36314  -178.04986
   36    35 S   O2Z  _O31    30     1.26326   116.08017    -1.53174
   37    35 S   O2Z  _O32    31     1.26438   114.40319   178.47043
   38    33 S   CT   _C8_    38     1.56231   107.79853   -70.47360
   39    38 S   HC   _H25    39     1.09758   110.72373   -15.09652
   40    38 S   HC   _H26    40     1.09398   110.66792  -130.39613
   41    33 S   CT   _C15    64     1.58748   112.87758   162.54119
   42    41 S   OM   _O16    65     1.32422   110.29115   -54.12693
   43    38 S   CT   _C10    41     1.54423   115.08151   107.03837
   44    43 S   HC   _H29    42     1.09693   108.71137  -168.16066
   45    43 S   HC   _H30    43     1.09514   110.34237   -52.17904
   46    41 S   CT   _C17    66     1.55459   110.63697    63.65937
   47    46 S   HC   _H35    67     1.09671   112.96178   -57.58532
   48    46 S   HC   _H36    68     1.09925   111.80949  -177.40105
   49    46 S   HC   _H37    69     1.09525   111.49790    63.43815
   50    43 S   C3T  _C16    44     1.50443   111.81970    71.68572
   51    50 S   C3T  _C13    45     1.51946   114.71821   -85.38816
   52    51 S   HC   _H33    46     1.08311   121.17891    -8.19288
   53    50 S   CT   _C18    71     1.50344   116.91285    77.36490
   54    53 S   HC   _H38    72     1.09407   112.52215   177.02994
   55    53 S   HC   _H39    73     1.09579   109.69158    58.11423
   56    53 S   HC   _H40    74     1.09201   112.04982   -61.02913
   57    51 S   CT   _C12    47     1.48723   121.90171   144.61861
   58    57 S   HC   _H32    48     1.09469   112.65876    16.27946
   59    50 S   O3T  _O19    70     1.44103   117.15788  -150.12906
   60    57 S   CT   _C11    49     1.53742   111.09906  -109.81182
   61    60 S   HC   _H31    50     1.09671   111.02645   -28.59261
   62    60 S   CM   _C4_    51     1.49813    99.95098  -141.07760
   63    60 S   CT   _C7_    58     1.53654   114.78094    96.17034
   64    63 S   HC   _H23    59     1.09733   109.49425   168.23982
   65    63 S   HC   _H24    60     1.09984   108.10365    54.83937
   66    62 S   CO4  _C5_    52     1.47516   109.37391    19.42730
   67    66 S   O    _O17    53     1.21777   127.06681   171.10203
   68    62 S   CM   _C6_    55     1.33684   129.96667  -160.01073
   69    68 S   HC   _H21    56     1.08433   121.39235    -0.99995
   70    68 S   HC   _H22    57     1.08539   121.70407   179.64064
   71    63 S   CT   _C9_    61     1.54773   119.17308   -67.22429
   72    71 S   HC   _H27    62     1.08814   108.30295    64.67319
   73    71 S   HC   _H28    63     1.10194   104.06389   174.30994
   74    57 S   OS   _O18    54     1.44094   107.81426   134.02450
  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
  18   8   2   1   1  13   6   5  13   8  11   5   4   7   3   2
   1  11  14   6   5   3   2   1  13   7   2  14   8  10   8   4
   3   5   2   3   1   1   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    71    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    50    63    71    72    73    41    42    46    47    48    49  
   38    39    40    43    71    41    42    46  
   36    37  
   37  
    0  
   39    40    43    44    45    50    51    71    41    42    46    59    53  
   40    43    44    45    50    41  
   43    44    45    50    41  
   42    46    47    48    49    43    60    63    64    65    71    72    73  
   46    47    48    49    63    71    72    73  
   44    45    50    51    52    57    59    53    54    55    56  
   45    50    51    59    53  
   50    51    59    53  
   47    48    49    63    71    72    73  
   48    49    71  
   49    71  
   71  
   51    52    57    58    60    74    59    53    54    55    56  
   52    57    58    60    61    62    66    74    63    59    53    54    55    56  
   57    58    60    74    59    53  
   54    55    56    57    59  
   55    56    59  
   56    59  
   59  
   58    60    61    62    66    67    74    68    63    64    65    71    59  
   60    61    62    66    74    63    59  
   60    74  
   61    62    66    67    74    68    69    70    63    64    65    71    72    73  
   62    66    74    68    63    64    65    71  
   66    67    74    68    69    70    63    64    65    71  
   64    65    71    72    73    66    68    74  
   65    71    72    73  
   71    72    73  
   67    74    68    69    70  
   74    68  
   69    70    74  
   70  
    0  
   72    73  
   73  
    0  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   275.000  1.510
   50    51   260.000  1.509
   50    59   335.000  1.432
   50    53   275.000  1.510
   51    52   340.000  1.088
   51    57   275.000  1.510
   51    59   335.000  1.432
   57    58   340.000  1.090
   57    60   268.000  1.529
   57    74   320.000  1.410
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    63   268.000  1.529
   62    66   320.000  1.462
   62    68   549.000  1.340
   66    67   570.000  1.229
   66    74   214.000  1.327
   68    69   340.000  1.080
   68    70   340.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    41   268.000  1.529
   41    42   570.000  1.307
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    71    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    50    70.00000  112.37300
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    50    51    60.00000  120.94000
   43    50    59    80.00000  116.47100
   43    50    53    58.35000  112.70000
   45    43    44    33.00000  107.80000
   50    43    44    45.00000  109.38400
   50    43    45    45.00000  109.38400
   50    51    52    37.50000  117.20000
   50    51    57    60.00000  120.94000
   50    51    59    15.00000   60.43100
   50    59    51    15.00000   59.14900
   50    53    54    45.00000  109.38400
   50    53    55    45.00000  109.38400
   50    53    56    45.00000  109.38400
   51    57    58    45.00000  109.38400
   51    57    60    70.00000  112.37300
   51    57    74    50.00000  109.50000
   57    51    52    40.00000  115.04500
   57    60    61    37.50000  110.70000
   57    60    62    70.00000  112.02700
   57    60    63    58.35000  112.70000
   57    74    66    83.00000  116.90000
   60    57    58    37.50000  110.70000
   60    62    66    65.00000  116.34900
   60    62    68    70.00000  124.00000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    71    58.35000  112.70000
   62    60    61    35.00000  109.50000
   62    66    67    80.00000  123.72100
   62    66    74    90.00000  111.29400
   62    68    69    35.00000  120.00000
   62    68    70    35.00000  120.00000
   74    57    58    35.00000  109.50000
   74    57    60    50.00000  109.50000
   74    66    67    83.00000  123.40000
   68    62    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   63    60    61    37.50000  110.70000
   63    60    62    70.00000  112.02700
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    41    58.35000  112.70000
   65    63    64    33.00000  107.80000
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    41    42    50.00000  109.50000
   71    41    46    58.35000  112.70000
   73    71    72    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    71    72    37.50000  110.70000
   41    71    73    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   46    41    42    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   59    50    51    15.00000   60.43100
   59    51    52    50.00000  114.27700
   59    51    57    80.00000  116.47100
   53    50    51    60.00000  120.94000
   53    50    59    80.00000  116.47100
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    71   0.44750  1.0 1.0
   29    33    41    71  -0.17800 -1.0 2.0
   29    33    41    71   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    50   0.47050  1.0 1.0
   33    38    43    50   0.03900 -1.0 2.0
   33    38    43    50   0.20100  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  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    43   0.15000  1.0 3.0
   34    33    41    71   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    71   0.56750  1.0 1.0
   38    33    41    71  -0.07550 -1.0 2.0
   38    33    41    71   0.20000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    43    50    51   0.07850  1.0 1.0
   38    43    50    51  -0.03950 -1.0 2.0
   38    43    50    51   0.67350  1.0 3.0
   38    43    50    59   0.02550  1.0 1.0
   38    43    50    59  -0.02600 -1.0 2.0
   38    43    50    59   1.20400  1.0 3.0
   38    43    50    53   0.56750  1.0 1.0
   38    43    50    53  -0.07550 -1.0 2.0
   38    43    50    53   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    50   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    50   0.15000  1.0 3.0
   43    50    51    52   0.15000  1.0 3.0
   43    50    51    57   0.56750  1.0 1.0
   43    50    51    57  -0.07550 -1.0 2.0
   43    50    51    57   0.20000  1.0 3.0
   43    50   -51    59   0.02550  1.0 1.0
   43    50   -51    59  -0.02600 -1.0 2.0
   43    50   -51    59   1.20400  1.0 3.0
   43    50   -59    51   0.06250  1.0 1.0
   43    50   -59    51  -0.01100 -1.0 2.0
   43    50   -59    51   0.28050  1.0 3.0
   43    50    53    54   0.15000  1.0 3.0
   43    50    53    55   0.15000  1.0 3.0
   43    50    53    56   0.15000  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    59   0.23400  1.0 3.0
   44    43    50    53   0.15000  1.0 3.0
   45    43    50    51   0.15000  1.0 3.0
   45    43    50    59   0.23400  1.0 3.0
   45    43    50    53   0.15000  1.0 3.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    60   0.07850  1.0 1.0
   50    51    57    60  -0.03950 -1.0 2.0
   50    51    57    60   0.67350  1.0 3.0
   50    51    57    74  -0.26800  1.0 1.0
   50    51    57    74   0.69150 -1.0 2.0
   50    51    57    74  -0.48750  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    57    60    61   0.15000  1.0 3.0
   51    57    60    62   0.34400  1.0 1.0
   51    57    60    62   0.09450 -1.0 2.0
   51    57    60    62   0.11100  1.0 3.0
   51    57    60    63   0.47050  1.0 1.0
   51    57    60    63   0.03900 -1.0 2.0
   51    57    60    63   0.20100  1.0 3.0
   51    57    74    66  -0.25900  1.0 1.0
   51    57    74    66  -0.47000 -1.0 2.0
   51    57    74    66   0.11750  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    60   0.15000  1.0 3.0
   52    51    57    74   0.23400  1.0 3.0
   52    51   -59    50   0.36800  1.0 3.0
   57    51   -59    50   0.06250  1.0 1.0
   57    51   -59    50  -0.01100 -1.0 2.0
   57    51   -59    50   0.28050  1.0 3.0
   57    60   -62    66   0.09700  1.0 1.0
   57    60   -62    66   0.15600 -1.0 2.0
   57    60   -62    66  -0.50800  1.0 3.0
   57    60    62    68   0.09850  1.0 1.0
   57    60    62    68   0.15250 -1.0 2.0
   57    60    62    68  -0.50650  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    65   0.15000  1.0 3.0
   57    60    63    71   0.56750  1.0 1.0
   57    60    63    71  -0.07550 -1.0 2.0
   57    60    63    71   0.20000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   58    57    74    66   0.08050  1.0 3.0
   60    57   -74    66  -0.25900  1.0 1.0
   60    57   -74    66  -0.47000 -1.0 2.0
   60    57   -74    66   0.11750  1.0 3.0
   60    62    66    67  -0.64400  1.0 1.0
   60    62    66    67   0.26850 -1.0 2.0
   60    62   -66    74  -0.15000  1.0 1.0
   60    62   -66    74   0.89550 -1.0 2.0
   60    62   -66    74  -0.06900  1.0 3.0
   60    62    68    69   7.00000 -1.0 2.0
   60    62    68    70   7.00000 -1.0 2.0
   60    63    71    72   0.15000  1.0 3.0
   60    63    71    73   0.15000  1.0 3.0
   60    63    71    41   0.56750  1.0 1.0
   60    63    71    41  -0.07550 -1.0 2.0
   60    63    71    41   0.20000  1.0 3.0
   61    60    62    66   0.15000  1.0 3.0
   61    60    62    68   0.00000  1.0 1.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    71   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    71   0.34400  1.0 1.0
   62    60    63    71   0.09450 -1.0 2.0
   62    60    63    71   0.11100  1.0 3.0
   62    66   -74    57   2.00000 -1.0 2.0
   66    62    68    69   7.00000 -1.0 2.0
   66    62    68    70   7.00000 -1.0 2.0
   67    66    74    57   3.00000 -1.0 2.0
   74    57    60    61   0.23400  1.0 3.0
   74    57   -60    62   0.61850  1.0 1.0
   74    57   -60    62  -0.22750 -1.0 2.0
   74    57   -60    62   0.15300  1.0 3.0
   74    57    60    63   0.62750  1.0 1.0
   74    57    60    63  -0.30950 -1.0 2.0
   74    57    60    63   0.27300  1.0 3.0
   68    62    66    67   1.00000 -1.0 2.0
   68    62    66    74  -0.56150  1.0 1.0
   68    62    66    74   2.19150 -1.0 2.0
   63    60    62    66   0.09700  1.0 1.0
   63    60    62    66   0.15600 -1.0 2.0
   63    60    62    66  -0.50800  1.0 3.0
   63    60    62    68   0.09850  1.0 1.0
   63    60    62    68   0.15250 -1.0 2.0
   63    60    62    68  -0.50650  1.0 3.0
   63    71    41    33   0.56750  1.0 1.0
   63    71    41    33  -0.07550 -1.0 2.0
   63    71    41    33   0.20000  1.0 3.0
   63    71    41    42   0.62750  1.0 1.0
   63    71    41    42  -0.30950 -1.0 2.0
   63    71    41    42   0.27300  1.0 3.0
   63    71    41    46   0.56750  1.0 1.0
   63    71    41    46  -0.07550 -1.0 2.0
   63    71    41    46   0.20000  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    73   0.15000  1.0 3.0
   64    63    71    41   0.15000  1.0 3.0
   65    63    71    72   0.15000  1.0 3.0
   65    63    71    73   0.15000  1.0 3.0
   65    63    71    41   0.15000  1.0 3.0
   71    41    46    47   0.15000  1.0 3.0
   71    41    46    48   0.15000  1.0 3.0
   71    41    46    49   0.15000  1.0 3.0
   72    71    41    33   0.15000  1.0 3.0
   72    71    41    42   0.23400  1.0 3.0
   72    71    41    46   0.15000  1.0 3.0
   73    71    41    33   0.15000  1.0 3.0
   73    71    41    42   0.23400  1.0 3.0
   73    71    41    46   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    48   0.23400  1.0 3.0
   42    41    46    49   0.23400  1.0 3.0
   59    50   -51    52   0.23400  1.0 3.0
   59    50   -51    57   0.02550  1.0 1.0
   59    50   -51    57  -0.02600 -1.0 2.0
   59    50   -51    57   1.20400  1.0 3.0
   59    50    53    54   0.23400  1.0 3.0
   59    50    53    55   0.23400  1.0 3.0
   59    50    53    56   0.23400  1.0 3.0
   59    51    57    58   0.23400  1.0 3.0
   59    51    57    60   0.02550  1.0 1.0
   59    51    57    60  -0.02600 -1.0 2.0
   59    51    57    60   1.20400  1.0 3.0
   59    51    57    74   1.11900  1.0 1.0
   59    51    57    74  -1.16350 -1.0 2.0
   59    51    57    74  -0.34150  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50   -51    59   0.02550  1.0 1.0
   53    50   -51    59  -0.02600 -1.0 2.0
   53    50   -51    59   1.20400  1.0 3.0
   53    50   -59    51   0.06250  1.0 1.0
   53    50   -59    51  -0.01100 -1.0 2.0
   53    50   -59    51   0.28050  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   60    66    62    68   1.10000 -1.0 2.0
   62    74    66    67  10.50000 -1.0 2.0
   69    70    68    62   1.10000 -1.0 2.0
END
