* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    148    245     438
    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   HC   _H37    73     1.08508   109.26356  -170.55096
   41    39 S   HC   _H38    74     1.08487   109.30045    68.44296
   42    37 S   C3T  _C8_    39     1.48177   110.54344  -136.60287
   43    42 S   HC   _H27    40     1.07735   122.36452  -144.22833
   44    39 S   OH   _O22    75     1.41150   108.01519   -51.07910
   45    44 S   HO   _H42    76     0.97327   107.32954   179.97202
   46    42 S   CT   _C14    41     1.50816   111.59999     3.29467
   47    37 S   O3T  _O18    71     1.43312   116.95327   -71.91691
   48    46 S   CT   _C7_    42     1.54796   111.61830  -115.74330
   49    48 S   HC   _H26    43     1.09657   112.86679   -63.64268
   50    33 S   CT   _C13    51     1.63294   116.03920    65.33167
   51    46 S   OH   _O21    69     1.43109   106.79887   129.26167
   52    51 S   HO   _H41    70     0.96846   106.15750    58.96811
   53    48 S   CO4  _C4_    44     1.51077   109.87194    58.59300
   54    53 S   O    _O16    45     1.21984   126.61416   -89.75529
   55    50 S   CT   _C17    52     1.56556   110.20089    16.87195
   56    55 S   HC   _H34    53     1.07621   107.86820    53.38360
   57    55 S   HC   _H35    54     1.07549   107.87098   -66.67066
   58    55 S   HC   _H36    55     1.07657   107.86746   173.28069
   59    53 S   OS   _O17    46     1.37311   108.12413    88.60749
   60    59 S   CT   _C10    47     1.44089   108.59259     2.72304
   61    60 S   HC   _H29    48     1.09589   107.16237   146.53655
   62    60 S   CT   _C11    49     1.54089   110.28507   -91.54404
   63    62 S   HC   _H30    50     1.09738   104.96074   178.61888
   64    48 S   CT   _C12    58     1.53410   114.41362   168.53107
   65    62 S   OH   _O19    56     1.42157   109.36657   -70.69714
   66    65 S   HO   _H39    57     0.97018   106.78333   -59.93919
   67    64 S   CM   _C6_    59     1.49455   118.75618    53.92491
   68    64 S   OH   _O20    67     1.43656   109.17974   174.06584
   69    68 S   HO   _H40    68     0.96604   105.91509   171.74136
   70    67 S   CM   _C5_    60     1.34129   121.88543    29.98846
   71    70 S   HC   _H24    61     1.08497   121.31769  -180.00000
   72    70 S   HC   _H25    62     1.08487   121.39644    -0.01978
   73    67 S   CT   _C16    63     1.49967   116.18216  -150.01139
   74    73 S   HC   _H31    64     1.09478   110.31617   -89.93513
   75    73 S   HC   _H32    65     1.09547   110.24342    29.86718
   76    73 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
  22   2   1   1  14   6  10   4   3  12   5   2   1  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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    62    50    55    47    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    48    60    62    63    50    55    56    57    58    65    51    47    39    40    41    44    45  
   35    36  
   36  
    0  
   38    42    43    46    48    62    50    55    51    47    39    40    41    44  
   42    43    46    50    47    39  
   40    41    44    45    42    46    47    50    55    62  
   41    44    45    50  
   44    45    50  
   43    46    48    49    53    62    50    55    64    51    52    47  
   46    48    50    51    47  
   45    50  
    0  
   48    49    53    54    59    60    62    63    50    55    56    57    58    65    64    67    68    51    52    47  
   48    50    51  
   49    53    54    59    60    61    62    50    55    64    67    70    73    68    69    51    52  
   53    54    59    60    50    64    67    68    51  
   55    56    57    58    65    66    64    51    52    53    59    60    61    62    63  
   52    53    55    62    64  
    0  
   54    59    60    61    62    64    67    68  
   59    60    64  
   56    57    58    65    60    62    63  
   57    58    62  
   58    62  
   62  
   60    61    62    63    65    64    67    68  
   61    62    63    65    66    64    67    70    73    68    69  
   62    63    65    64    67    68  
   63    65    66    64    67    68  
   65    66    64  
   67    70    71    72    73    74    75    76    68    69    65  
   66  
    0  
   70    71    72    73    74    75    76    68    69  
   69    70    73  
    0  
   71    72    73    74    75    76  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    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   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   76   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    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.088
   37    42   260.000  1.509
   37    47   335.000  1.432
   42    43   340.000  1.088
   42    46   275.000  1.510
   42    47   335.000  1.432
   46    48   268.000  1.529
   46    50   268.000  1.529
   46    51   320.000  1.410
   48    49   340.000  1.090
   48    53   317.000  1.522
   48    64   268.000  1.529
   53    54   570.000  1.229
   53    59   214.000  1.327
   59    60   320.000  1.410
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   268.000  1.529
   62    63   340.000  1.090
   62    50   268.000  1.529
   62    65   320.000  1.410
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   65    66   553.000  0.945
   64    67   317.000  1.510
   64    68   320.000  1.410
   67    70   549.000  1.340
   67    73   317.000  1.510
   70    71   340.000  1.080
   70    72   340.000  1.080
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   68    69   553.000  0.945
   51    52   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    40.00000  115.04500
   33    37    42    60.00000  120.94000
   33    37    47    80.00000  116.47100
   33    50    46    58.35000  112.70000
   33    50    62    58.35000  112.70000
   33    50    55    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    50.00000  109.50000
   37    42    43    37.50000  117.20000
   37    42    46    60.00000  120.94000
   37    42    47    15.00000   60.43100
   37    47    42    15.00000   59.14900
   42    37    38    37.50000  117.20000
   42    46    48    70.00000  112.37300
   42    46    50    70.00000  112.37300
   42    46    51    50.00000  109.50000
   46    42    43    40.00000  115.04500
   46    48    49    37.50000  110.70000
   46    48    53    63.00000  111.10000
   46    48    64    58.35000  112.70000
   46    50    62    58.35000  112.70000
   46    50    55    58.35000  112.70000
   46    51    52    55.00000  108.50000
   48    53    54    80.00000  120.40000
   48    53    59    81.00000  111.40000
   48    64    60    58.35000  112.70000
   48    64    67    70.00000  112.02700
   48    64    68    50.00000  109.50000
   53    48    49    35.00000  109.50000
   53    59    60    83.00000  116.90000
   59    53    54    83.00000  123.40000
   59    60    61    35.00000  109.50000
   59    60    62    50.00000  109.50000
   59    60    64    50.00000  109.50000
   60    62    63    37.50000  110.70000
   60    62    50    58.35000  112.70000
   60    62    65    50.00000  109.50000
   60    64    67    70.00000  112.02700
   60    64    68    50.00000  109.50000
   62    60    61    37.50000  110.70000
   62    50    55    58.35000  112.70000
   62    65    66    55.00000  108.50000
   50    33    37    70.00000  112.37300
   50    46    48    58.35000  112.70000
   50    62    63    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    50    50.00000  109.50000
   64    48    49    37.50000  110.70000
   64    48    53    63.00000  111.10000
   64    60    61    37.50000  110.70000
   64    60    62    58.35000  112.70000
   64    67    70    70.00000  124.00000
   64    67    73    65.00000  117.92700
   64    68    69    55.00000  108.50000
   67    70    71    35.00000  120.00000
   67    70    72    35.00000  120.00000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   72    70    71    35.00000  117.00000
   73    67    70    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   68    64    67    90.00000  110.39200
   51    46    48    50.00000  109.50000
   51    46    50    50.00000  109.50000
   47    37    38    50.00000  114.27700
   47    37    42    15.00000   60.43100
   47    42    43    50.00000  114.27700
   47    42    46    80.00000  116.47100
   39    33    37    70.00000  112.37300
   39    33    50    58.35000  112.70000
   39    44    45    55.00000  108.50000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    47   0.56750  1.0 1.0
   29    33    37    47  -0.07550 -1.0 2.0
   29    33    37    47   0.20000  1.0 3.0
   29    33    50    46   0.44750  1.0 1.0
   29    33    50    46  -0.17800 -1.0 2.0
   29    33    50    46   0.20200  1.0 3.0
   29    33    50    62   0.44750  1.0 1.0
   29    33    50    62  -0.17800 -1.0 2.0
   29    33    50    62   0.20200  1.0 3.0
   29    33    50    55   0.44750  1.0 1.0
   29    33    50    55  -0.17800 -1.0 2.0
   29    33    50    55   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37   -42    46   0.56750  1.0 1.0
   33    37   -42    46  -0.07550 -1.0 2.0
   33    37   -42    46   0.20000  1.0 3.0
   33    37   -42    47   0.02550  1.0 1.0
   33    37   -42    47  -0.02600 -1.0 2.0
   33    37   -42    47   1.20400  1.0 3.0
   33    37   -47    42   0.06250  1.0 1.0
   33    37   -47    42  -0.01100 -1.0 2.0
   33    37   -47    42   0.28050  1.0 3.0
   33    50    55    56   0.15000  1.0 3.0
   33    50    55    57   0.15000  1.0 3.0
   33    50    55    58   0.15000  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   37    33   -50    46   0.47050  1.0 1.0
   37    33   -50    46   0.03900 -1.0 2.0
   37    33   -50    46   0.20100  1.0 3.0
   37    33    50    62   0.47050  1.0 1.0
   37    33    50    62   0.03900 -1.0 2.0
   37    33    50    62   0.20100  1.0 3.0
   37    33    50    55   0.47050  1.0 1.0
   37    33    50    55   0.03900 -1.0 2.0
   37    33    50    55   0.20100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.86500  1.0 1.0
   37    33    39    44  -0.17500 -1.0 2.0
   37    33    39    44   0.20800  1.0 3.0
   37    42    46    48   0.07850  1.0 1.0
   37    42    46    48  -0.03950 -1.0 2.0
   37    42    46    48   0.67350  1.0 3.0
   37    42   -46    50   0.07850  1.0 1.0
   37    42   -46    50  -0.03950 -1.0 2.0
   37    42   -46    50   0.67350  1.0 3.0
   37    42    46    51   0.86500  1.0 1.0
   37    42    46    51  -0.17500 -1.0 2.0
   37    42    46    51   0.20800  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    46   0.15000  1.0 3.0
   38    37   -42    47   0.23400  1.0 3.0
   38    37   -47    42   0.36800  1.0 3.0
   42    46    48    49   0.15000  1.0 3.0
   42    46    48    53  -0.95700  1.0 1.0
   42    46    48    53  -0.18200 -1.0 2.0
   42    46    48    53   0.29450  1.0 3.0
   42    46    48    64   0.47050  1.0 1.0
   42    46    48    64   0.03900 -1.0 2.0
   42    46    48    64   0.20100  1.0 3.0
   42    46   -50    33   0.47050  1.0 1.0
   42    46   -50    33   0.03900 -1.0 2.0
   42    46   -50    33   0.20100  1.0 3.0
   42    46    50    62   0.47050  1.0 1.0
   42    46    50    62   0.03900 -1.0 2.0
   42    46    50    62   0.20100  1.0 3.0
   42    46    50    55   0.47050  1.0 1.0
   42    46    50    55   0.03900 -1.0 2.0
   42    46    50    55   0.20100  1.0 3.0
   42    46    51    52  -0.11600  1.0 1.0
   42    46    51    52  -0.09450 -1.0 2.0
   42    46    51    52   0.21250  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    50   0.15000  1.0 3.0
   43    42    46    51   0.23400  1.0 3.0
   43    42   -47    37   0.36800  1.0 3.0
   46    42   -47    37   0.06250  1.0 1.0
   46    42   -47    37  -0.01100 -1.0 2.0
   46    42   -47    37   0.28050  1.0 3.0
   46    48    53    54   0.30150 -1.0 2.0
   46    48    53    59   0.36750  1.0 3.0
   46    48    64    60   0.56750  1.0 1.0
   46    48    64    60  -0.07550 -1.0 2.0
   46    48    64    60   0.20000  1.0 3.0
   46    48    64    67   0.34400  1.0 1.0
   46    48    64    67   0.09450 -1.0 2.0
   46    48    64    67   0.11100  1.0 3.0
   46    48    64    68   0.86500  1.0 1.0
   46    48    64    68  -0.17500 -1.0 2.0
   46    48    64    68   0.20800  1.0 3.0
   46    50    55    56   0.15000  1.0 3.0
   46    50    55    57   0.15000  1.0 3.0
   46    50    55    58   0.15000  1.0 3.0
   48    46    50    33   0.56750  1.0 1.0
   48    46    50    33  -0.07550 -1.0 2.0
   48    46    50    33   0.20000  1.0 3.0
   48    46    50    62   0.56750  1.0 1.0
   48    46    50    62  -0.07550 -1.0 2.0
   48    46    50    62   0.20000  1.0 3.0
   48    46    50    55   0.56750  1.0 1.0
   48    46    50    55  -0.07550 -1.0 2.0
   48    46    50    55   0.20000  1.0 3.0
   48    46    51    52  -0.11600  1.0 1.0
   48    46    51    52  -0.09450 -1.0 2.0
   48    46    51    52   0.21250  1.0 3.0
   48    53   -59    60   1.63150  1.0 1.0
   48    53   -59    60   2.92000 -1.0 2.0
   48    64    67    70   0.09850  1.0 1.0
   48    64    67    70   0.15250 -1.0 2.0
   48    64    67    70  -0.50650  1.0 3.0
   48    64    67    73   0.46850  1.0 1.0
   48    64    67    73   0.08550 -1.0 2.0
   48    64    67    73   0.09800  1.0 3.0
   48    64    68    69  -0.11600  1.0 1.0
   48    64    68    69  -0.09450 -1.0 2.0
   48    64    68    69   0.21250  1.0 3.0
   49    48    53    54   0.00000  1.0 1.0
   49    48    53    59   0.00000  1.0 1.0
   49    48    64    60   0.15000  1.0 3.0
   49    48    64    67   0.15000  1.0 3.0
   49    48    64    68   0.23400  1.0 3.0
   53    48   -64    60  -0.95700  1.0 1.0
   53    48   -64    60  -0.18200 -1.0 2.0
   53    48   -64    60   0.29450  1.0 3.0
   53    48    64    67  -0.98800  1.0 1.0
   53    48    64    67   0.48800 -1.0 2.0
   53    48    64    67   0.76800  1.0 3.0
   53    48    64    68  -0.09450  1.0 1.0
   53    48    64    68  -1.12950 -1.0 2.0
   53    48    64    68   0.54000  1.0 3.0
   53    59    60    61   0.08050  1.0 3.0
   53    59    60    62  -0.25900  1.0 1.0
   53    59    60    62  -0.47000 -1.0 2.0
   53    59    60    62   0.11750  1.0 3.0
   53    59   -60    64  -0.25900  1.0 1.0
   53    59   -60    64  -0.47000 -1.0 2.0
   53    59   -60    64   0.11750  1.0 3.0
   54    53    59    60   3.00000 -1.0 2.0
   59    60    62    63   0.23400  1.0 3.0
   59    60    62    50   0.62750  1.0 1.0
   59    60    62    50  -0.30950 -1.0 2.0
   59    60    62    50   0.27300  1.0 3.0
   59    60    62    65   3.69350  1.0 1.0
   59    60    62    65  -1.82950 -1.0 2.0
   59    60   -64    48   0.62750  1.0 1.0
   59    60   -64    48  -0.30950 -1.0 2.0
   59    60   -64    48   0.27300  1.0 3.0
   59    60    64    67   0.61850  1.0 1.0
   59    60    64    67  -0.22750 -1.0 2.0
   59    60    64    67   0.15300  1.0 3.0
   59    60    64    68   3.69350  1.0 1.0
   59    60    64    68  -1.82950 -1.0 2.0
   60    62    50    33   0.56750  1.0 1.0
   60    62    50    33  -0.07550 -1.0 2.0
   60    62    50    33   0.20000  1.0 3.0
   60    62   -50    46   0.56750  1.0 1.0
   60    62   -50    46  -0.07550 -1.0 2.0
   60    62   -50    46   0.20000  1.0 3.0
   60    62    50    55   0.56750  1.0 1.0
   60    62    50    55  -0.07550 -1.0 2.0
   60    62    50    55   0.20000  1.0 3.0
   60    62    65    66  -0.11600  1.0 1.0
   60    62    65    66  -0.09450 -1.0 2.0
   60    62    65    66   0.21250  1.0 3.0
   60    64    67    70   0.09850  1.0 1.0
   60    64    67    70   0.15250 -1.0 2.0
   60    64    67    70  -0.50650  1.0 3.0
   60    64    67    73   0.46850  1.0 1.0
   60    64    67    73   0.08550 -1.0 2.0
   60    64    67    73   0.09800  1.0 3.0
   60    64    68    69  -0.11600  1.0 1.0
   60    64    68    69  -0.09450 -1.0 2.0
   60    64    68    69   0.21250  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    50   0.15000  1.0 3.0
   61    60    62    65   0.23400  1.0 3.0
   61    60    64    48   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   61    60    64    68   0.23400  1.0 3.0
   62    60   -64    48   0.56750  1.0 1.0
   62    60   -64    48  -0.07550 -1.0 2.0
   62    60   -64    48   0.20000  1.0 3.0
   62    60    64    67   0.34400  1.0 1.0
   62    60    64    67   0.09450 -1.0 2.0
   62    60    64    67   0.11100  1.0 3.0
   62    60    64    68   0.86500  1.0 1.0
   62    60    64    68  -0.17500 -1.0 2.0
   62    60    64    68   0.20800  1.0 3.0
   62    50    55    56   0.15000  1.0 3.0
   62    50    55    57   0.15000  1.0 3.0
   62    50    55    58   0.15000  1.0 3.0
   63    62    50    33   0.15000  1.0 3.0
   63    62    50    46   0.15000  1.0 3.0
   63    62    50    55   0.15000  1.0 3.0
   63    62    65    66   0.19450  1.0 3.0
   50    33    37    38   0.15000  1.0 3.0
   50    33   -37    42   0.07850  1.0 1.0
   50    33   -37    42  -0.03950 -1.0 2.0
   50    33   -37    42   0.67350  1.0 3.0
   50    33    37    47   0.02550  1.0 1.0
   50    33    37    47  -0.02600 -1.0 2.0
   50    33    37    47   1.20400  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    33    39    44   0.86500  1.0 1.0
   50    33    39    44  -0.17500 -1.0 2.0
   50    33    39    44   0.20800  1.0 3.0
   50    46    48    49   0.15000  1.0 3.0
   50    46    48    53  -0.95700  1.0 1.0
   50    46    48    53  -0.18200 -1.0 2.0
   50    46    48    53   0.29450  1.0 3.0
   50    46    48    64   0.56750  1.0 1.0
   50    46    48    64  -0.07550 -1.0 2.0
   50    46    48    64   0.20000  1.0 3.0
   50    46    51    52  -0.11600  1.0 1.0
   50    46    51    52  -0.09450 -1.0 2.0
   50    46    51    52   0.21250  1.0 3.0
   50    62    65    66  -0.11600  1.0 1.0
   50    62    65    66  -0.09450 -1.0 2.0
   50    62    65    66   0.21250  1.0 3.0
   65    62    50    33   0.86500  1.0 1.0
   65    62    50    33  -0.17500 -1.0 2.0
   65    62    50    33   0.20800  1.0 3.0
   65    62    50    46   0.86500  1.0 1.0
   65    62    50    46  -0.17500 -1.0 2.0
   65    62    50    46   0.20800  1.0 3.0
   65    62    50    55   0.86500  1.0 1.0
   65    62    50    55  -0.17500 -1.0 2.0
   65    62    50    55   0.20800  1.0 3.0
   64    48    53    54   0.30150 -1.0 2.0
   64    48   -53    59   0.36750  1.0 3.0
   64    60    62    63   0.15000  1.0 3.0
   64    60   -62    50   0.56750  1.0 1.0
   64    60   -62    50  -0.07550 -1.0 2.0
   64    60   -62    50   0.20000  1.0 3.0
   64    60    62    65   0.86500  1.0 1.0
   64    60    62    65  -0.17500 -1.0 2.0
   64    60    62    65   0.20800  1.0 3.0
   64    67    70    71   7.00000 -1.0 2.0
   64    67    70    72   7.00000 -1.0 2.0
   64    67    73    74   0.34800  1.0 3.0
   64    67    73    75   0.34800  1.0 3.0
   64    67    73    76   0.34800  1.0 3.0
   67    64    68    69  -0.07800  1.0 1.0
   67    64    68    69  -0.21500 -1.0 2.0
   67    64    68    69  -0.03150  1.0 3.0
   70    67    73    74   0.00000  1.0 1.0
   70    67    73    75   0.00000  1.0 1.0
   70    67    73    76   0.00000  1.0 1.0
   73    67    70    71   7.00000 -1.0 2.0
   73    67    70    72   7.00000 -1.0 2.0
   68    64    67    70   0.67800  1.0 1.0
   68    64    67    70   0.47050 -1.0 2.0
   68    64    67    70  -0.62500  1.0 3.0
   68    64    67    73   0.18000  1.0 1.0
   68    64    67    73   0.16450 -1.0 2.0
   68    64    67    73   0.04450  1.0 3.0
   51    46    48    49   0.23400  1.0 3.0
   51    46    48    53  -0.09450  1.0 1.0
   51    46    48    53  -1.12950 -1.0 2.0
   51    46    48    53   0.54000  1.0 3.0
   51    46    48    64   0.86500  1.0 1.0
   51    46    48    64  -0.17500 -1.0 2.0
   51    46    48    64   0.20800  1.0 3.0
   51    46    50    33   0.86500  1.0 1.0
   51    46    50    33  -0.17500 -1.0 2.0
   51    46    50    33   0.20800  1.0 3.0
   51    46    50    62   0.86500  1.0 1.0
   51    46    50    62  -0.17500 -1.0 2.0
   51    46    50    62   0.20800  1.0 3.0
   51    46    50    55   0.86500  1.0 1.0
   51    46    50    55  -0.17500 -1.0 2.0
   51    46    50    55   0.20800  1.0 3.0
   47    37   -42    43   0.23400  1.0 3.0
   47    37   -42    46   0.02550  1.0 1.0
   47    37   -42    46  -0.02600 -1.0 2.0
   47    37   -42    46   1.20400  1.0 3.0
   47    42    46    48   0.02550  1.0 1.0
   47    42    46    48  -0.02600 -1.0 2.0
   47    42    46    48   1.20400  1.0 3.0
   47    42   -46    50   0.02550  1.0 1.0
   47    42   -46    50  -0.02600 -1.0 2.0
   47    42   -46    50   1.20400  1.0 3.0
   47    42    46    51   3.69350  1.0 1.0
   47    42    46    51  -1.82950 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.07850  1.0 1.0
   39    33    37    42  -0.03950 -1.0 2.0
   39    33    37    42   0.67350  1.0 3.0
   39    33    37    47   0.02550  1.0 1.0
   39    33    37    47  -0.02600 -1.0 2.0
   39    33    37    47   1.20400  1.0 3.0
   39    33    50    46   0.56750  1.0 1.0
   39    33    50    46  -0.07550 -1.0 2.0
   39    33    50    46   0.20000  1.0 3.0
   39    33    50    62   0.56750  1.0 1.0
   39    33    50    62  -0.07550 -1.0 2.0
   39    33    50    62   0.20000  1.0 3.0
   39    33    50    55   0.56750  1.0 1.0
   39    33    50    55  -0.07550 -1.0 2.0
   39    33    50    55   0.20000  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   41    39    44    45   0.19450  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
   48    59    53    54  10.50000 -1.0 2.0
   64    73    67    70  15.00000 -1.0 2.0
   71    72    70    67  15.00000 -1.0 2.0
END
