* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    147    242     433
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02158    54.81527  -117.81782
    3     1 S   H    _H1_     3     1.02086   106.66649   -16.41343
    4     1 S   H    _H2_     4     1.02120    57.28809    85.49333
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C15    36     1.85857    96.98840  -158.12730
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   C3T  _C9_    37     1.51985   104.79311   179.96574
   38    37 S   HC   _H28    38     1.07912   117.78514    79.16951
   39    33 S   CT   _C18    72     1.53939   103.51113   -67.30091
   40    39 S   OM   _O16    73     1.32289   106.90089   -63.83803
   41    39 S   HC   _H37    74     1.10100   105.19381   169.42342
   42    39 S   HC   _H38    75     1.10046   105.18401    62.89514
   43    37 S   C3T  _C8_    39     1.48177   110.54344  -136.60287
   44    43 S   HC   _H27    40     1.07735   122.36452  -144.22833
   45    43 S   CT   _C14    41     1.50816   111.59999     3.29467
   46    37 S   O3T  _O19    71     1.43312   116.95327   -71.91691
   47    45 S   CT   _C7_    42     1.54796   111.61830  -115.74330
   48    47 S   HC   _H26    43     1.09657   112.86679   -63.64268
   49    33 S   CT   _C13    51     1.63294   116.03920    65.33167
   50    45 S   OH   _O22    69     1.43109   106.79887   129.26167
   51    50 S   HO   _H41    70     0.96846   106.15750    58.96811
   52    47 S   CO4  _C4_    44     1.51077   109.87194    58.59300
   53    52 S   O    _O17    45     1.21984   126.61416   -89.75529
   54    49 S   CT   _C17    52     1.56556   110.20089    16.87195
   55    54 S   HC   _H34    53     1.07621   107.86820    53.38360
   56    54 S   HC   _H35    54     1.07549   107.87098   -66.67066
   57    54 S   HC   _H36    55     1.07657   107.86746   173.28069
   58    52 S   OS   _O18    46     1.37311   108.12413    88.60749
   59    58 S   CT   _C10    47     1.44089   108.59259     2.72304
   60    59 S   HC   _H29    48     1.09589   107.16237   146.53655
   61    59 S   CT   _C11    49     1.54089   110.28507   -91.54404
   62    61 S   HC   _H30    50     1.09738   104.96074   178.61888
   63    47 S   CT   _C12    58     1.53410   114.41362   168.53107
   64    61 S   OH   _O20    56     1.42157   109.36657   -70.69714
   65    64 S   HO   _H39    57     0.97018   106.78333   -59.93919
   66    63 S   CM   _C6_    59     1.49455   118.75618    53.92491
   67    63 S   OH   _O21    67     1.43656   109.17974   174.06584
   68    67 S   HO   _H40    68     0.96604   105.91509   171.74136
   69    66 S   CM   _C5_    60     1.34129   121.88543    29.98846
   70    69 S   HC   _H24    61     1.08497   121.31769  -180.00000
   71    69 S   HC   _H25    62     1.08487   121.39644    -0.01978
   72    66 S   CT   _C16    63     1.49967   116.18216  -150.01139
   73    72 S   HC   _H31    64     1.09478   110.31617   -89.93513
   74    72 S   HC   _H32    65     1.09547   110.24342    29.86718
   75    72 S   HC   _H33    66     1.09561   112.15271   149.92599
  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  13   5   4   3
  21   2   1   1  14   6   9   3   2   1  12   5  20   3  17   9
  15   5   1   8   3   7   3   2   1   8  11   6   6   3  11   1
   1   9   3   1   6   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    45    61    49    54    46    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    59    61    62    49    54    55    56    57    64    50    46    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    47    61    49    54    50    46    39    40    41    42  
   43    44    45    49    46    39  
   40    41    42    43    45    46    49    54    61  
   41    42    49  
   42    49  
   49  
   44    45    47    48    52    61    49    54    63    50    51    46  
   45    47    49    50    46  
   47    48    52    53    58    59    61    62    49    54    55    56    57    64    63    66    67    50    51    46  
   47    49    50  
   48    52    53    58    59    60    61    49    54    63    66    69    72    67    68    50    51  
   52    53    58    59    49    63    66    67    50  
   54    55    56    57    64    65    63    50    51    52    58    59    60    61    62  
   51    52    54    61    63  
    0  
   53    58    59    60    61    63    66    67  
   58    59    63  
   55    56    57    64    59    61    62  
   56    57    61  
   57    61  
   61  
   59    60    61    62    64    63    66    67  
   60    61    62    64    65    63    66    69    72    67    68  
   61    62    64    63    66    67  
   62    64    65    63    66    67  
   64    65    63  
   66    69    70    71    72    73    74    75    67    68    64  
   65  
    0  
   69    70    71    72    73    74    75    67    68  
   68    69    72  
    0  
   70    71    72    73    74    75  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   275.000  1.510
   33    49   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.088
   37    43   260.000  1.509
   37    46   335.000  1.432
   43    44   340.000  1.088
   43    45   275.000  1.510
   43    46   335.000  1.432
   45    47   268.000  1.529
   45    49   268.000  1.529
   45    50   320.000  1.410
   47    48   340.000  1.090
   47    52   317.000  1.522
   47    63   268.000  1.529
   52    53   570.000  1.229
   52    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   268.000  1.529
   61    62   340.000  1.090
   61    49   268.000  1.529
   61    64   320.000  1.410
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   64    65   553.000  0.945
   63    66   317.000  1.510
   63    67   320.000  1.410
   66    69   549.000  1.340
   66    72   317.000  1.510
   69    70   340.000  1.080
   69    71   340.000  1.080
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   67    68   553.000  0.945
   50    51   553.000  0.945
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    49    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    40.00000  115.04500
   33    37    43    60.00000  120.94000
   33    37    46    80.00000  116.47100
   33    49    45    58.35000  112.70000
   33    49    61    58.35000  112.70000
   33    49    54    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  117.20000
   37    43    45    60.00000  120.94000
   37    43    46    15.00000   60.43100
   37    46    43    15.00000   59.14900
   43    37    38    37.50000  117.20000
   43    45    47    70.00000  112.37300
   43    45    49    70.00000  112.37300
   43    45    50    50.00000  109.50000
   45    43    44    40.00000  115.04500
   45    47    48    37.50000  110.70000
   45    47    52    63.00000  111.10000
   45    47    63    58.35000  112.70000
   45    49    61    58.35000  112.70000
   45    49    54    58.35000  112.70000
   45    50    51    55.00000  108.50000
   47    52    53    80.00000  120.40000
   47    52    58    81.00000  111.40000
   47    63    59    58.35000  112.70000
   47    63    66    70.00000  112.02700
   47    63    67    50.00000  109.50000
   52    47    48    35.00000  109.50000
   52    58    59    83.00000  116.90000
   58    52    53    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   58    59    63    50.00000  109.50000
   59    61    62    37.50000  110.70000
   59    61    49    58.35000  112.70000
   59    61    64    50.00000  109.50000
   59    63    66    70.00000  112.02700
   59    63    67    50.00000  109.50000
   61    59    60    37.50000  110.70000
   61    49    54    58.35000  112.70000
   61    64    65    55.00000  108.50000
   49    33    37    70.00000  112.37300
   49    45    47    58.35000  112.70000
   49    61    62    37.50000  110.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    49    50.00000  109.50000
   63    47    48    37.50000  110.70000
   63    47    52    63.00000  111.10000
   63    59    60    37.50000  110.70000
   63    59    61    58.35000  112.70000
   63    66    69    70.00000  124.00000
   63    66    72    65.00000  117.92700
   63    67    68    55.00000  108.50000
   66    69    70    35.00000  120.00000
   66    69    71    35.00000  120.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   71    69    70    35.00000  117.00000
   72    66    69    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   67    63    66    90.00000  110.39200
   50    45    47    50.00000  109.50000
   50    45    49    50.00000  109.50000
   46    37    38    50.00000  114.27700
   46    37    43    15.00000   60.43100
   46    43    44    50.00000  114.27700
   46    43    45    80.00000  116.47100
   39    33    37    70.00000  112.37300
   39    33    49    58.35000  112.70000
   41    39    40    45.00000  125.66300
   42    39    40    45.00000  125.66300
   42    39    41    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    49    45   0.44750  1.0 1.0
   29    33    49    45  -0.17800 -1.0 2.0
   29    33    49    45   0.20200  1.0 3.0
   29    33    49    61   0.44750  1.0 1.0
   29    33    49    61  -0.17800 -1.0 2.0
   29    33    49    61   0.20200  1.0 3.0
   29    33    49    54   0.44750  1.0 1.0
   29    33    49    54  -0.17800 -1.0 2.0
   29    33    49    54   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37   -43    45   0.56750  1.0 1.0
   33    37   -43    45  -0.07550 -1.0 2.0
   33    37   -43    45   0.20000  1.0 3.0
   33    37   -43    46   0.02550  1.0 1.0
   33    37   -43    46  -0.02600 -1.0 2.0
   33    37   -43    46   1.20400  1.0 3.0
   33    37   -46    43   0.06250  1.0 1.0
   33    37   -46    43  -0.01100 -1.0 2.0
   33    37   -46    43   0.28050  1.0 3.0
   33    49    54    55   0.15000  1.0 3.0
   33    49    54    56   0.15000  1.0 3.0
   33    49    54    57   0.15000  1.0 3.0
   37    33   -49    45   0.47050  1.0 1.0
   37    33   -49    45   0.03900 -1.0 2.0
   37    33   -49    45   0.20100  1.0 3.0
   37    33    49    61   0.47050  1.0 1.0
   37    33    49    61   0.03900 -1.0 2.0
   37    33    49    61   0.20100  1.0 3.0
   37    33    49    54   0.47050  1.0 1.0
   37    33    49    54   0.03900 -1.0 2.0
   37    33    49    54   0.20100  1.0 3.0
   37    33    39    40  -0.26800  1.0 1.0
   37    33    39    40   0.69150 -1.0 2.0
   37    33    39    40  -0.48750  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    45    47   0.07850  1.0 1.0
   37    43    45    47  -0.03950 -1.0 2.0
   37    43    45    47   0.67350  1.0 3.0
   37    43   -45    49   0.07850  1.0 1.0
   37    43   -45    49  -0.03950 -1.0 2.0
   37    43   -45    49   0.67350  1.0 3.0
   37    43    45    50   0.86500  1.0 1.0
   37    43    45    50  -0.17500 -1.0 2.0
   37    43    45    50   0.20800  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    45   0.15000  1.0 3.0
   38    37   -43    46   0.23400  1.0 3.0
   38    37   -46    43   0.36800  1.0 3.0
   43    45    47    48   0.15000  1.0 3.0
   43    45    47    52  -0.95700  1.0 1.0
   43    45    47    52  -0.18200 -1.0 2.0
   43    45    47    52   0.29450  1.0 3.0
   43    45    47    63   0.47050  1.0 1.0
   43    45    47    63   0.03900 -1.0 2.0
   43    45    47    63   0.20100  1.0 3.0
   43    45   -49    33   0.47050  1.0 1.0
   43    45   -49    33   0.03900 -1.0 2.0
   43    45   -49    33   0.20100  1.0 3.0
   43    45    49    61   0.47050  1.0 1.0
   43    45    49    61   0.03900 -1.0 2.0
   43    45    49    61   0.20100  1.0 3.0
   43    45    49    54   0.47050  1.0 1.0
   43    45    49    54   0.03900 -1.0 2.0
   43    45    49    54   0.20100  1.0 3.0
   43    45    50    51  -0.11600  1.0 1.0
   43    45    50    51  -0.09450 -1.0 2.0
   43    45    50    51   0.21250  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    45    50   0.23400  1.0 3.0
   44    43   -46    37   0.36800  1.0 3.0
   45    43   -46    37   0.06250  1.0 1.0
   45    43   -46    37  -0.01100 -1.0 2.0
   45    43   -46    37   0.28050  1.0 3.0
   45    47    52    53   0.30150 -1.0 2.0
   45    47    52    58   0.36750  1.0 3.0
   45    47    63    59   0.56750  1.0 1.0
   45    47    63    59  -0.07550 -1.0 2.0
   45    47    63    59   0.20000  1.0 3.0
   45    47    63    66   0.34400  1.0 1.0
   45    47    63    66   0.09450 -1.0 2.0
   45    47    63    66   0.11100  1.0 3.0
   45    47    63    67   0.86500  1.0 1.0
   45    47    63    67  -0.17500 -1.0 2.0
   45    47    63    67   0.20800  1.0 3.0
   45    49    54    55   0.15000  1.0 3.0
   45    49    54    56   0.15000  1.0 3.0
   45    49    54    57   0.15000  1.0 3.0
   47    45    49    33   0.56750  1.0 1.0
   47    45    49    33  -0.07550 -1.0 2.0
   47    45    49    33   0.20000  1.0 3.0
   47    45    49    61   0.56750  1.0 1.0
   47    45    49    61  -0.07550 -1.0 2.0
   47    45    49    61   0.20000  1.0 3.0
   47    45    49    54   0.56750  1.0 1.0
   47    45    49    54  -0.07550 -1.0 2.0
   47    45    49    54   0.20000  1.0 3.0
   47    45    50    51  -0.11600  1.0 1.0
   47    45    50    51  -0.09450 -1.0 2.0
   47    45    50    51   0.21250  1.0 3.0
   47    52   -58    59   1.63150  1.0 1.0
   47    52   -58    59   2.92000 -1.0 2.0
   47    63    66    69   0.09850  1.0 1.0
   47    63    66    69   0.15250 -1.0 2.0
   47    63    66    69  -0.50650  1.0 3.0
   47    63    66    72   0.46850  1.0 1.0
   47    63    66    72   0.08550 -1.0 2.0
   47    63    66    72   0.09800  1.0 3.0
   47    63    67    68  -0.11600  1.0 1.0
   47    63    67    68  -0.09450 -1.0 2.0
   47    63    67    68   0.21250  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    58   0.00000  1.0 1.0
   48    47    63    59   0.15000  1.0 3.0
   48    47    63    66   0.15000  1.0 3.0
   48    47    63    67   0.23400  1.0 3.0
   52    47   -63    59  -0.95700  1.0 1.0
   52    47   -63    59  -0.18200 -1.0 2.0
   52    47   -63    59   0.29450  1.0 3.0
   52    47    63    66  -0.98800  1.0 1.0
   52    47    63    66   0.48800 -1.0 2.0
   52    47    63    66   0.76800  1.0 3.0
   52    47    63    67  -0.09450  1.0 1.0
   52    47    63    67  -1.12950 -1.0 2.0
   52    47    63    67   0.54000  1.0 3.0
   52    58    59    60   0.08050  1.0 3.0
   52    58    59    61  -0.25900  1.0 1.0
   52    58    59    61  -0.47000 -1.0 2.0
   52    58    59    61   0.11750  1.0 3.0
   52    58   -59    63  -0.25900  1.0 1.0
   52    58   -59    63  -0.47000 -1.0 2.0
   52    58   -59    63   0.11750  1.0 3.0
   53    52    58    59   3.00000 -1.0 2.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    49   0.62750  1.0 1.0
   58    59    61    49  -0.30950 -1.0 2.0
   58    59    61    49   0.27300  1.0 3.0
   58    59    61    64   3.69350  1.0 1.0
   58    59    61    64  -1.82950 -1.0 2.0
   58    59   -63    47   0.62750  1.0 1.0
   58    59   -63    47  -0.30950 -1.0 2.0
   58    59   -63    47   0.27300  1.0 3.0
   58    59    63    66   0.61850  1.0 1.0
   58    59    63    66  -0.22750 -1.0 2.0
   58    59    63    66   0.15300  1.0 3.0
   58    59    63    67   3.69350  1.0 1.0
   58    59    63    67  -1.82950 -1.0 2.0
   59    61    49    33   0.56750  1.0 1.0
   59    61    49    33  -0.07550 -1.0 2.0
   59    61    49    33   0.20000  1.0 3.0
   59    61   -49    45   0.56750  1.0 1.0
   59    61   -49    45  -0.07550 -1.0 2.0
   59    61   -49    45   0.20000  1.0 3.0
   59    61    49    54   0.56750  1.0 1.0
   59    61    49    54  -0.07550 -1.0 2.0
   59    61    49    54   0.20000  1.0 3.0
   59    61    64    65  -0.11600  1.0 1.0
   59    61    64    65  -0.09450 -1.0 2.0
   59    61    64    65   0.21250  1.0 3.0
   59    63    66    69   0.09850  1.0 1.0
   59    63    66    69   0.15250 -1.0 2.0
   59    63    66    69  -0.50650  1.0 3.0
   59    63    66    72   0.46850  1.0 1.0
   59    63    66    72   0.08550 -1.0 2.0
   59    63    66    72   0.09800  1.0 3.0
   59    63    67    68  -0.11600  1.0 1.0
   59    63    67    68  -0.09450 -1.0 2.0
   59    63    67    68   0.21250  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    49   0.15000  1.0 3.0
   60    59    61    64   0.23400  1.0 3.0
   60    59    63    47   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   60    59    63    67   0.23400  1.0 3.0
   61    59   -63    47   0.56750  1.0 1.0
   61    59   -63    47  -0.07550 -1.0 2.0
   61    59   -63    47   0.20000  1.0 3.0
   61    59    63    66   0.34400  1.0 1.0
   61    59    63    66   0.09450 -1.0 2.0
   61    59    63    66   0.11100  1.0 3.0
   61    59    63    67   0.86500  1.0 1.0
   61    59    63    67  -0.17500 -1.0 2.0
   61    59    63    67   0.20800  1.0 3.0
   61    49    54    55   0.15000  1.0 3.0
   61    49    54    56   0.15000  1.0 3.0
   61    49    54    57   0.15000  1.0 3.0
   62    61    49    33   0.15000  1.0 3.0
   62    61    49    45   0.15000  1.0 3.0
   62    61    49    54   0.15000  1.0 3.0
   62    61    64    65   0.19450  1.0 3.0
   49    33    37    38   0.15000  1.0 3.0
   49    33   -37    43   0.07850  1.0 1.0
   49    33   -37    43  -0.03950 -1.0 2.0
   49    33   -37    43   0.67350  1.0 3.0
   49    33    37    46   0.02550  1.0 1.0
   49    33    37    46  -0.02600 -1.0 2.0
   49    33    37    46   1.20400  1.0 3.0
   49    33    39    40   0.62750  1.0 1.0
   49    33    39    40  -0.30950 -1.0 2.0
   49    33    39    40   0.27300  1.0 3.0
   49    33    39    41   0.15000  1.0 3.0
   49    33    39    42   0.15000  1.0 3.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    52  -0.95700  1.0 1.0
   49    45    47    52  -0.18200 -1.0 2.0
   49    45    47    52   0.29450  1.0 3.0
   49    45    47    63   0.56750  1.0 1.0
   49    45    47    63  -0.07550 -1.0 2.0
   49    45    47    63   0.20000  1.0 3.0
   49    45    50    51  -0.11600  1.0 1.0
   49    45    50    51  -0.09450 -1.0 2.0
   49    45    50    51   0.21250  1.0 3.0
   49    61    64    65  -0.11600  1.0 1.0
   49    61    64    65  -0.09450 -1.0 2.0
   49    61    64    65   0.21250  1.0 3.0
   64    61    49    33   0.86500  1.0 1.0
   64    61    49    33  -0.17500 -1.0 2.0
   64    61    49    33   0.20800  1.0 3.0
   64    61    49    45   0.86500  1.0 1.0
   64    61    49    45  -0.17500 -1.0 2.0
   64    61    49    45   0.20800  1.0 3.0
   64    61    49    54   0.86500  1.0 1.0
   64    61    49    54  -0.17500 -1.0 2.0
   64    61    49    54   0.20800  1.0 3.0
   63    47    52    53   0.30150 -1.0 2.0
   63    47   -52    58   0.36750  1.0 3.0
   63    59    61    62   0.15000  1.0 3.0
   63    59   -61    49   0.56750  1.0 1.0
   63    59   -61    49  -0.07550 -1.0 2.0
   63    59   -61    49   0.20000  1.0 3.0
   63    59    61    64   0.86500  1.0 1.0
   63    59    61    64  -0.17500 -1.0 2.0
   63    59    61    64   0.20800  1.0 3.0
   63    66    69    70   7.00000 -1.0 2.0
   63    66    69    71   7.00000 -1.0 2.0
   63    66    72    73   0.34800  1.0 3.0
   63    66    72    74   0.34800  1.0 3.0
   63    66    72    75   0.34800  1.0 3.0
   66    63    67    68  -0.07800  1.0 1.0
   66    63    67    68  -0.21500 -1.0 2.0
   66    63    67    68  -0.03150  1.0 3.0
   69    66    72    73   0.00000  1.0 1.0
   69    66    72    74   0.00000  1.0 1.0
   69    66    72    75   0.00000  1.0 1.0
   72    66    69    70   7.00000 -1.0 2.0
   72    66    69    71   7.00000 -1.0 2.0
   67    63    66    69   0.67800  1.0 1.0
   67    63    66    69   0.47050 -1.0 2.0
   67    63    66    69  -0.62500  1.0 3.0
   67    63    66    72   0.18000  1.0 1.0
   67    63    66    72   0.16450 -1.0 2.0
   67    63    66    72   0.04450  1.0 3.0
   50    45    47    48   0.23400  1.0 3.0
   50    45    47    52  -0.09450  1.0 1.0
   50    45    47    52  -1.12950 -1.0 2.0
   50    45    47    52   0.54000  1.0 3.0
   50    45    47    63   0.86500  1.0 1.0
   50    45    47    63  -0.17500 -1.0 2.0
   50    45    47    63   0.20800  1.0 3.0
   50    45    49    33   0.86500  1.0 1.0
   50    45    49    33  -0.17500 -1.0 2.0
   50    45    49    33   0.20800  1.0 3.0
   50    45    49    61   0.86500  1.0 1.0
   50    45    49    61  -0.17500 -1.0 2.0
   50    45    49    61   0.20800  1.0 3.0
   50    45    49    54   0.86500  1.0 1.0
   50    45    49    54  -0.17500 -1.0 2.0
   50    45    49    54   0.20800  1.0 3.0
   46    37   -43    44   0.23400  1.0 3.0
   46    37   -43    45   0.02550  1.0 1.0
   46    37   -43    45  -0.02600 -1.0 2.0
   46    37   -43    45   1.20400  1.0 3.0
   46    43    45    47   0.02550  1.0 1.0
   46    43    45    47  -0.02600 -1.0 2.0
   46    43    45    47   1.20400  1.0 3.0
   46    43   -45    49   0.02550  1.0 1.0
   46    43   -45    49  -0.02600 -1.0 2.0
   46    43   -45    49   1.20400  1.0 3.0
   46    43    45    50   3.69350  1.0 1.0
   46    43    45    50  -1.82950 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.07850  1.0 1.0
   39    33    37    43  -0.03950 -1.0 2.0
   39    33    37    43   0.67350  1.0 3.0
   39    33    37    46   0.02550  1.0 1.0
   39    33    37    46  -0.02600 -1.0 2.0
   39    33    37    46   1.20400  1.0 3.0
   39    33    49    45   0.56750  1.0 1.0
   39    33    49    45  -0.07550 -1.0 2.0
   39    33    49    45   0.20000  1.0 3.0
   39    33    49    61   0.56750  1.0 1.0
   39    33    49    61  -0.07550 -1.0 2.0
   39    33    49    61   0.20000  1.0 3.0
   39    33    49    54   0.56750  1.0 1.0
   39    33    49    54  -0.07550 -1.0 2.0
   39    33    49    54   0.20000  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
   36    30    34    35  10.50000 -1.0 2.0
   47    58    52    53  10.50000 -1.0 2.0
   63    72    66    69  15.00000 -1.0 2.0
   70    71    69    66  15.00000 -1.0 2.0
END
