* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    149    246     447
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02131    96.72678   -56.85995
    3     1 S   H    _H1_     3     1.02070    82.83475    51.25450
    4     1 S   H    _H2_     4     1.02128    34.65838  -170.20726
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C13    36     1.86998    96.65321   161.85029
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   CT   _C14    37     1.55295   107.37308   -79.96916
   38    37 S   HC   _H17    38     1.09964   108.51854   145.16197
   39    37 S   HC   _H18    39     1.09847   110.92404    32.49989
   40    33 S   CT   _C9_    50     1.56725   109.52125   156.55222
   41    40 S   HC   _H6_    51     1.10100   108.27384   -24.67480
   42    37 S   CT   _C5_    40     1.53380   116.35898   -93.15458
   43    42 S   HC   _H4_    41     1.09422   111.54448  -172.62781
   44    40 S   CO4  _C10    52     1.53612   114.56193  -136.66701
   45    44 S   O    _O33    53     1.23281   122.03870  -159.97005
   46    42 S   CT   _C6_    42     1.52906   114.16129    59.12082
   47    46 S   HC   _H11    43     1.09835   109.70403   155.28951
   48    46 S   HC   _H12    44     1.09266   113.26006    36.66635
   49    44 S   CT   _C11    54     1.50602   118.38591    21.66946
   50    49 S   HC   _H15    55     1.09507   108.93484   137.63454
   51    49 S   HC   _H16    56     1.09663   107.07127  -104.63661
   52    46 S   CT   _C7_    45     1.53369   105.38824   -87.61225
   53    52 S   HC   _H13    46     1.09302   112.98176   124.12749
   54    52 S   HC   _H14    47     1.09721   108.95500  -117.83344
   55    49 S   CT   _C12    57     1.51725   109.76513    16.16515
   56    55 S   HC   _H7_    58     1.10953   111.53416    59.88179
   57    52 S   CT   _C8_    48     1.53549   105.51545    -0.07662
   58    57 S   HC   _H5_    49     1.09458   110.87272  -142.69375
   59    55 S   CA   _C15    59     1.51223   111.67307   179.95154
   60    33 S   OS   _O34    70     1.43847   106.78370    32.07228
   61    59 S   CA   _C16    60     1.39584   120.00072   -89.98499
   62    61 S   HA   _H19    61     1.08658   120.46577    -0.08393
   63    42 S   NP   _N4_    71     1.50712   109.01424   -52.91820
   64    63 S   H    _H3_    72     1.02982   106.30768  -176.80261
   65    61 S   CA   _C17    62     1.39499   119.99703   179.95577
   66    65 S   HA   _H20    63     1.08614   119.97216   179.90513
   67    63 S   CT   _C4_    73     1.49233   117.88817   -61.03089
   68    67 S   HC   _H8_    74     1.09087   107.83343    62.78577
   69    67 S   HC   _H9_    75     1.09185   107.84633  -177.15476
   70    67 S   HC   _H10    76     1.09150   107.80615   -57.16507
   71    65 S   CA   _C18    64     1.39469   119.99627     0.00000
   72    71 S   HA   _H21    65     1.08602   119.96795   179.93147
   73    71 S   CA   _C19    66     1.39446   120.02545    -0.04846
   74    73 S   HA   _H22    67     1.08648   120.07457   179.90935
   75    59 S   CA   _C20    68     1.39518   120.02571    89.92357
   76    75 S   HA   _H23    69     1.08695   120.47616     0.06561
  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  11   5   4   3
  19   2   1   1  17   7   6  18   8  16   8  12   5  10   6   5
   9   5   4   7   4   3   9   4   8   3  10   2   8   4   5   4
   6   3   3   2   1   1   5   3   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    40    60    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    57    40    41    44    55    60  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    46    52    57    58    40    41    44    45    49    55    56    59    60    63  
   35    36  
   36  
    0  
   38    39    42    43    46    47    48    52    57    40    41    44    55    60    63    64    67  
   39    42    43    46    40    60    63  
   42    43    46    40    60    63  
   41    44    45    49    50    51    55    60    63    64    67    42    46    52    53    54    57    58  
   44    45    49    60    63    52    57    58  
   43    46    47    48    52    53    54    57    58    60    63    64    67    68    69    70  
   46    47    48    52    57    63    64    67  
   45    49    50    51    55    56    59    60    63    52    57    58  
   49    50    51    55    57  
   47    48    52    53    54    57    58    63    64    67  
   48    52    53    54    57    63  
   52    53    54    57    63  
   50    51    55    56    59    61    75    60    57  
   51    55    56    59    60  
   55    56    59    60  
   53    54    57    58    63    64    67  
   54    57    58    63  
   57    58    63  
   56    59    61    62    65    73    75    76    60  
   59    61    75    60  
   58    60    63    64    67    68    69    70  
   63    64    67  
   61    62    65    66    71    73    74    75    76    60  
   61    75  
   62    65    66    71    72    73    75    76  
   65    66    71    75  
   64    67    68    69    70  
   67    68    69    70  
   66    71    72    73    74    75  
   71    72    73  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74    75  
   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  -0.316400   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   0.348900   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   60   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   64   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   268.000  1.529
   33    40   268.000  1.529
   33    60   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    63   367.000  1.471
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    40   268.000  1.529
   57    63   367.000  1.471
   40    41   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    59   317.000  1.510
   55    60   320.000  1.410
   59    61   469.000  1.400
   59    75   469.000  1.400
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   63    64   434.000  1.010
   63    67   367.000  1.471
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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    40    75.00000  111.63000
   29    33    60    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    40    57    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   33    60    55    60.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    46    58.35000  112.70000
   37    42    63    80.00000  111.20000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    52    58.35000  112.70000
   42    63    57    75.00000  113.01200
   42    63    64    35.00000  109.50000
   42    63    67    75.00000  113.01200
   46    42    43    37.50000  110.70000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    57    58.35000  112.70000
   48    46    47    33.00000  107.80000
   52    46    47    37.50000  110.70000
   52    46    48    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    40    58.35000  112.70000
   52    57    63    80.00000  111.20000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    40    41    37.50000  110.70000
   57    40    44    63.00000  111.10000
   57    63    64    35.00000  109.50000
   57    63    67    75.00000  113.01200
   40    33    37    58.35000  112.70000
   40    57    58    37.50000  110.70000
   40    44    45    80.00000  120.40000
   40    44    49    70.00000  116.00000
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    55    63.00000  111.10000
   49    44    45    80.00000  120.40000
   49    55    56    37.50000  110.70000
   49    55    59    70.00000  112.17500
   49    55    60    50.00000  109.50000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    59    61    70.00000  120.00000
   55    59    75    70.00000  120.00000
   59    55    56    35.00000  109.50000
   59    61    62    35.00000  120.00000
   59    61    65    63.00000  120.00000
   59    75    73    63.00000  120.00000
   59    75    76    35.00000  120.00000
   61    65    66    35.00000  120.00000
   61    65    71    63.00000  120.00000
   65    61    62    35.00000  120.00000
   65    71    72    35.00000  120.00000
   65    71    73    63.00000  120.00000
   71    65    66    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   75    59    61    63.00000  120.00000
   75    73    74    35.00000  120.00000
   60    33    37    50.00000  109.50000
   60    33    40    50.00000  109.50000
   60    55    56    35.00000  109.50000
   60    55    59    85.00000  111.85700
   63    42    43    35.00000  109.50000
   63    42    46    80.00000  111.20000
   63    57    58    35.00000  109.50000
   63    57    40    80.00000  111.20000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   67    63    64    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    60   0.13850  1.0 1.0
   24    29    33    60  -1.34450 -1.0 2.0
   24    29    33    60   0.57400  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    39   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    40    57   0.44750  1.0 1.0
   29    33    40    57  -0.17800 -1.0 2.0
   29    33    40    57   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   29    33    60    55   0.14700  1.0 1.0
   29    33    60    55  -1.16150 -1.0 2.0
   29    33    60    55   0.48700  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    63   1.36600  1.0 1.0
   33    37    42    63  -0.11450 -1.0 2.0
   33    37    42    63   0.24250  1.0 3.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    49   0.60050  1.0 1.0
   33    40    44    49   0.05600 -1.0 2.0
   33    40    44    49   0.26150  1.0 3.0
   37    33    40    57   0.56750  1.0 1.0
   37    33    40    57  -0.07550 -1.0 2.0
   37    33    40    57   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    44  -0.95700  1.0 1.0
   37    33    40    44  -0.18200 -1.0 2.0
   37    33    40    44   0.29450  1.0 3.0
   37    33    60    55   0.06250  1.0 1.0
   37    33    60    55  -0.01100 -1.0 2.0
   37    33    60    55   0.28050  1.0 3.0
   37    42    46    47   0.15000  1.0 3.0
   37    42    46    48   0.15000  1.0 3.0
   37    42    46    52   0.56750  1.0 1.0
   37    42    46    52  -0.07550 -1.0 2.0
   37    42    46    52   0.20000  1.0 3.0
   37    42   -63    57   0.47100  1.0 1.0
   37    42    63    64   0.17350  1.0 3.0
   37    42    63    67   0.47100  1.0 1.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    46   0.15000  1.0 3.0
   38    37    42    63   0.19200  1.0 3.0
   39    37    42    43   0.15000  1.0 3.0
   39    37    42    46   0.15000  1.0 3.0
   39    37    42    63   0.19200  1.0 3.0
   42    46    52    53   0.15000  1.0 3.0
   42    46    52    54   0.15000  1.0 3.0
   42    46   -52    57   0.56750  1.0 1.0
   42    46   -52    57  -0.07550 -1.0 2.0
   42    46   -52    57   0.20000  1.0 3.0
   42    63    67    68   0.15000  1.0 3.0
   42    63    67    69   0.15000  1.0 3.0
   42    63    67    70   0.15000  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    52   0.15000  1.0 3.0
   43    42    63    57   0.15000  1.0 3.0
   43    42    63    64   0.13050  1.0 3.0
   43    42    63    67   0.15000  1.0 3.0
   46    42   -63    57   0.47100  1.0 1.0
   46    42    63    64   0.17350  1.0 3.0
   46    42    63    67   0.47100  1.0 1.0
   46    52    57    58   0.15000  1.0 3.0
   46    52    57    40   0.56750  1.0 1.0
   46    52    57    40  -0.07550 -1.0 2.0
   46    52    57    40   0.20000  1.0 3.0
   46    52   -57    63   1.36600  1.0 1.0
   46    52   -57    63  -0.11450 -1.0 2.0
   46    52   -57    63   0.24250  1.0 3.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    54   0.15000  1.0 3.0
   47    46    52    57   0.15000  1.0 3.0
   48    46    52    53   0.15000  1.0 3.0
   48    46    52    54   0.15000  1.0 3.0
   48    46    52    57   0.15000  1.0 3.0
   52    57    40    33   0.56750  1.0 1.0
   52    57    40    33  -0.07550 -1.0 2.0
   52    57    40    33   0.20000  1.0 3.0
   52    57    40    41   0.15000  1.0 3.0
   52    57    40    44  -0.95700  1.0 1.0
   52    57    40    44  -0.18200 -1.0 2.0
   52    57    40    44   0.29450  1.0 3.0
   52    57   -63    42   0.47100  1.0 1.0
   52    57    63    64   0.17350  1.0 3.0
   52    57    63    67   0.47100  1.0 1.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    40   0.15000  1.0 3.0
   53    52    57    63   0.19200  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    40   0.15000  1.0 3.0
   54    52    57    63   0.19200  1.0 3.0
   57    40    44    45   0.30150 -1.0 2.0
   57    40    44    49   0.60050  1.0 1.0
   57    40    44    49   0.05600 -1.0 2.0
   57    40    44    49   0.26150  1.0 3.0
   57    63    67    68   0.15000  1.0 3.0
   57    63    67    69   0.15000  1.0 3.0
   57    63    67    70   0.15000  1.0 3.0
   58    57    40    33   0.15000  1.0 3.0
   58    57    40    41   0.15000  1.0 3.0
   58    57    40    44  -0.11250  1.0 3.0
   58    57    63    42   0.15000  1.0 3.0
   58    57    63    64   0.13050  1.0 3.0
   58    57    63    67   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33    60    55   0.06250  1.0 1.0
   40    33    60    55  -0.01100 -1.0 2.0
   40    33    60    55   0.28050  1.0 3.0
   40    57   -63    42   0.47100  1.0 1.0
   40    57    63    64   0.17350  1.0 3.0
   40    57    63    67   0.47100  1.0 1.0
   40    44    49    50   0.00000  1.0 1.0
   40    44    49    51   0.00000  1.0 1.0
   40    44   -49    55   0.60050  1.0 1.0
   40    44   -49    55   0.05600 -1.0 2.0
   40    44   -49    55   0.26150  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    49   0.00000  1.0 1.0
   44    49    55    56  -0.11250  1.0 3.0
   44    49    55    59   0.56750  1.0 1.0
   44    49    55    59  -0.07550 -1.0 2.0
   44    49    55    59   0.20000  1.0 3.0
   44    49    55    60  -0.09450  1.0 1.0
   44    49    55    60  -1.12950 -1.0 2.0
   44    49    55    60   0.54000  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    51   0.00000  1.0 1.0
   45    44    49    55   0.30150 -1.0 2.0
   49    55    59    61   0.04150 -1.0 2.0
   49    55    59    75   0.04150 -1.0 2.0
   49    55   -60    33   0.06250  1.0 1.0
   49    55   -60    33  -0.01100 -1.0 2.0
   49    55   -60    33   0.28050  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    59   0.43200  1.0 3.0
   50    49    55    60   0.23400  1.0 3.0
   51    49    55    56   0.15000  1.0 3.0
   51    49    55    59   0.43200  1.0 3.0
   51    49    55    60   0.23400  1.0 3.0
   55    59    61    62   3.62500 -1.0 2.0
   55    59    61    65   3.62500 -1.0 2.0
   55    59    75    73   3.62500 -1.0 2.0
   55    59    75    76   3.62500 -1.0 2.0
   56    55    59    61   0.00000  1.0 1.0
   56    55    59    75   0.00000  1.0 1.0
   56    55    60    33   0.37050  1.0 3.0
   59    55    60    33   0.37500  1.0 3.0
   59    61    65    66   3.62500 -1.0 2.0
   59    61    65    71   3.62500 -1.0 2.0
   61    59    75    73   3.62500 -1.0 2.0
   61    59    75    76   3.62500 -1.0 2.0
   61    65    71    72   3.62500 -1.0 2.0
   61    65   -71    73   3.62500 -1.0 2.0
   62    61    65    66   3.62500 -1.0 2.0
   62    61    65    71   3.62500 -1.0 2.0
   65    71    73    74   3.62500 -1.0 2.0
   65    71    73    75   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   66    65    71    73   3.62500 -1.0 2.0
   71    73   -75    59   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   74    73    75    59   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   75    59    61    62   3.62500 -1.0 2.0
   75    59   -61    65   3.62500 -1.0 2.0
   60    33    37    38   0.23400  1.0 3.0
   60    33    37    39   0.23400  1.0 3.0
   60    33    37    42   0.62750  1.0 1.0
   60    33    37    42  -0.30950 -1.0 2.0
   60    33    37    42   0.27300  1.0 3.0
   60    33    40    57   0.62750  1.0 1.0
   60    33    40    57  -0.30950 -1.0 2.0
   60    33    40    57   0.27300  1.0 3.0
   60    33    40    41   0.23400  1.0 3.0
   60    33   -40    44  -0.09450  1.0 1.0
   60    33   -40    44  -1.12950 -1.0 2.0
   60    33   -40    44   0.54000  1.0 3.0
   60    55    59    61   0.64500  1.0 1.0
   60    55    59    61   0.14800 -1.0 2.0
   60    55    59    61   0.20650  1.0 3.0
   60    55    59    75   0.64500  1.0 1.0
   60    55    59    75   0.14800 -1.0 2.0
   60    55    59    75   0.20650  1.0 3.0
   63    42    46    47   0.19200  1.0 3.0
   63    42    46    48   0.19200  1.0 3.0
   63    42   -46    52   1.36600  1.0 1.0
   63    42   -46    52  -0.11450 -1.0 2.0
   63    42   -46    52   0.24250  1.0 3.0
   63    57   -40    33   1.36600  1.0 1.0
   63    57   -40    33  -0.11450 -1.0 2.0
   63    57   -40    33   0.24250  1.0 3.0
   63    57    40    41   0.19200  1.0 3.0
   63    57    40    44  -1.46550  1.0 1.0
   63    57    40    44  -0.30600 -1.0 2.0
   63    57    40    44  -0.05950  1.0 3.0
   64    63    67    68   0.13050  1.0 3.0
   64    63    67    69   0.13050  1.0 3.0
   64    63    67    70   0.13050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   40    49    44    45  10.50000 -1.0 2.0
   61    75    59    55   4.00000 -1.0 2.0
   65    62    61    59   1.10000 -1.0 2.0
   71    66    65    61   1.10000 -1.0 2.0
   73    72    71    65   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   73    76    75    59   1.10000 -1.0 2.0
END
