* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    150    233     435
    1     0 S   NP   _N1_     1    28.71227    94.59683   -21.88146
    2     1 S   H    _HN1     2     1.02782    92.02660   -89.37610
    3     1 S   H    _H1_     3     1.02958    88.98629    18.92493
    4     1 S   H    _H2_     4     1.02840    29.99364   147.05023
    5     1 S   CT   _CA1     5     1.50109   140.62694   140.83631
    6     5 S   HC   _HA1     6     1.09571   105.26040    62.52585
    7     5 S   CO3  _C1_     7     1.53824   112.33409   -57.77055
    8     7 S   O2Z  _O11     8     1.26365   115.01774   -44.87713
    9     7 S   O2Z  _O12     9     1.26236   114.91553   134.32657
   10     5 S   CT   _CB1    10     1.53099   107.44436  -179.50663
   11    10 S   HC   HB11    11     1.09824   109.46227   -50.20496
   12    10 S   HC   HB12    12     1.09823   110.35678    66.37150
   13    10 S   CT   _CG1    13     1.53019   112.64362  -171.27794
   14    13 S   HC   HG11    14     1.09597   110.42684   -61.52725
   15    13 S   HC   HG12    15     1.09640   110.03785    57.70551
   16    13 S   C    _CD1    16     1.51808   112.26830   178.14713
   17    16 S   O    _OE1    17     1.22723   123.23677    -4.04588
   18    16 S   N    _N2_    18     1.38633   111.63831   175.99992
   19    18 S   H    _HN2    19     1.01576   119.06359     2.14795
   20    18 S   CT1  _CA2    20     1.46253   123.38978  -177.98676
   21    20 S   HC   _HA2    21     1.09736   109.38504    -6.89415
   22    20 S   C    _C2_    22     1.53440   108.49695  -122.60002
   23    22 S   O    _O2_    23     1.23020   122.21838  -145.94021
   24    20 S   CT   _CB2    32     1.53641   111.43096   114.95049
   25    24 S   HC   HB21    33     1.09458   109.20975    56.95612
   26    24 S   HC   HB22    34     1.09407   109.87403   175.91985
   27    22 S   N    _N3_    24     1.38502   113.44420    41.42630
   28    27 S   H    _HN3    25     1.01513   118.92228    -0.60003
   29    24 S   S    _SG2    35     1.83038   111.12884   -63.50851
   30    27 S   CT   _CA3    26     1.45459   123.50751   175.17615
   31    30 S   HC   HA31    27     1.09519   109.31071    22.96194
   32    30 S   HC   HA32    28     1.09498   107.09998   139.97488
   33    29 S   CT   _C16    36     1.88253   102.48123  -175.10175
   34    30 S   CO3  _C3_    29     1.52920   113.07362  -100.57125
   35    34 S   O2Z  _O31    30     1.26406   115.38768   -44.75604
   36    34 S   O2Z  _O32    31     1.26353   114.99443   136.17189
   37    33 S   CO4  _C18    37     1.54129   105.15007    62.76484
   38    37 S   O    _O35    38     1.22936   124.61349  -123.09751
   39    37 S   HC   _H19    39     1.10220   116.31616    56.51204
   40    33 S   CT   _C12    40     1.60034   109.22053  -175.99899
   41    40 S   OM   _O36    41     1.32488   108.98153  -166.72340
   42    33 S   CT   _C17    75     1.54803   108.42321   -53.50425
   43    42 S   HC   _H16    76     1.09532   112.41666   -51.90952
   44    42 S   HC   _H17    77     1.09559   112.40737    69.64476
   45    42 S   HC   _H18    78     1.09631   111.09231  -172.49739
   46    40 S   CO4  _C11    42     1.54148   112.48422   -51.40942
   47    46 S   O    _O34    43     1.23389   123.40676   -48.19493
   48    40 S   CT   _C13    56     1.55971   111.12787    73.45963
   49    48 S   HC   _H11    57     1.09989   109.41199    72.89432
   50    48 S   HC   _H12    58     1.09869   107.66576   -41.10993
   51    46 S   CM   _C10    44     1.48339   119.85424   131.78851
   52    51 S   HC   _H10    45     1.08647   114.98605  -170.41608
   53    51 S   CM   _C9_    46     1.34412   124.51993    11.88705
   54    53 S   C3T  _C8_    47     1.48089   120.18093   178.12988
   55    54 S   HC   _H6_    48     1.08728   113.76389    22.04210
   56    54 S   C3T  _C7_    49     1.50368   120.78584   165.42026
   57    56 S   HC   _H5_    50     1.08161   119.19238  -142.83757
   58    56 S   CT   _C6_    51     1.49390   121.45704     8.66213
   59    58 S   HC   _H4_    52     1.09891   108.38753  -141.87535
   60    54 S   O3T  _O33    74     1.43502   122.17354  -124.79963
   61    58 S   CT   _C5_    53     1.54841   111.59172   -24.45416
   62    61 S   HC   _H3_    54     1.10168   105.35641   -68.42630
   63    58 S   OS   _O37    67     1.44273   111.11046    99.70909
   64    53 S   CT   _C14    55     1.53263   121.72087    -0.68070
   65    61 S   CT   _C4_    63     1.53885   109.28348   177.67662
   66    65 S   HC   _H7_    64     1.09374   112.20565   -70.81104
   67    65 S   HC   _H8_    65     1.09355   111.67124   167.39231
   68    65 S   HC   _H9_    66     1.09602   110.38967    49.09414
   69    63 S   CO4  _C19    68     1.36228   117.25456    76.59206
   70    69 S   O    _O38    69     1.22318   126.45436     0.30519
   71    64 S   CT   _C15    59     1.54597   108.43451    93.52111
   72    71 S   HC   _H13    60     1.09478   111.56140  -172.82069
   73    71 S   HC   _H14    61     1.09247   112.69758    65.94461
   74    71 S   HC   _H15    62     1.09495   112.02777   -52.42099
   75    69 S   CT   _C20    70     1.49829   109.42837  -179.62991
   76    75 S   HC   _H20    71     1.09292   109.82453   -60.93413
   77    75 S   HC   _H21    72     1.09377   109.37210  -179.98022
   78    75 S   HC   _H22    73     1.09294   109.80722    60.94902
  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  12   5   4   3
  16   2   1   1  10   3   2  16   8   5   2   1   1   9   4  14
   5   4   9   3  14  10   5  10   5  14   7   3  12   7   8   8
   4   2   1   1   5   4   3   2   1   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    46    48    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    46    47    51    64    48    49    50    42    43    44    45  
   35    36  
   36  
    0  
   38    39    40    41    46    48    42    43    44    45  
   39    40    42  
   40    42  
   41    46    47    51    52    53    61    64    48    49    50    71    42    43    44    45  
   46    47    51    64    48    49    50    42  
   43    44    45    46    48  
   44    45  
   45  
    0  
   47    51    52    53    54    64    48    49    50  
   51    52    53    48  
   49    50    71    72    73    74    65    51    53    54    58    61    62    64  
   50    71    53    61    64  
   71    53    61    64  
   52    53    54    55    56    61    64    71    60  
   53    54    64  
   54    55    56    57    58    61    62    64    71    72    73    74    65    60  
   55    56    57    58    59    61    64    71    63    60  
   56    57    58    64    60  
   57    58    59    61    62    64    65    63    69    60  
   58    59    61    63    60  
   59    61    62    64    71    65    66    67    68    63    69    70    75    60  
   61    62    64    65    63    69    60  
   61    63    64  
   62    64    71    72    73    74    65    66    67    68    63    69  
   64    71    65    66    67    68    63  
   69    70    75    76    77    78    64    65  
   71    72    73    74    65    66    67    68  
   66    67    68    71  
   67    68  
   68  
    0  
   70    75    76    77    78  
   75    76    77    78  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78  
   77    78  
   78  
    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   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   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   317.000  1.522
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   570.000  1.229
   37    39   340.000  1.090
   40    41   570.000  1.307
   40    46   317.000  1.522
   40    48   268.000  1.529
   46    47   570.000  1.229
   46    51   320.000  1.462
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   305.000  1.480
   53    64   317.000  1.510
   54    55   340.000  1.088
   54    56   260.000  1.509
   54    60   335.000  1.432
   56    57   340.000  1.088
   56    58   275.000  1.510
   56    60   335.000  1.432
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    63   320.000  1.410
   61    62   340.000  1.090
   61    64   268.000  1.529
   61    65   268.000  1.529
   64    48   268.000  1.529
   64    71   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   63    69   214.000  1.327
   69    70   570.000  1.229
   69    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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  110.18000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    39    35.00000  115.00000
   33    40    41    50.00000  109.50000
   33    40    46    63.00000  111.10000
   33    40    48    58.35000  112.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   39    37    38    35.00000  123.00000
   40    33    37    63.00000  111.10000
   40    46    47    80.00000  120.40000
   40    46    51    65.00000  118.62400
   40    48    64    58.35000  112.70000
   40    48    49    37.50000  110.70000
   40    48    50    37.50000  110.70000
   46    40    41    90.00000  108.74100
   46    51    52    40.00000  117.72500
   46    51    53    65.00000  118.96000
   51    46    47    80.00000  123.72100
   51    53    54    55.00000  125.06700
   51    53    64    70.00000  124.00000
   53    51    52    35.00000  120.00000
   53    54    55    40.00000  112.45000
   53    54    56    60.00000  120.58800
   53    54    60    85.00000  114.23300
   53    64    61    70.00000  112.02700
   53    64    48    70.00000  112.02700
   53    64    71    70.00000  112.02700
   54    56    57    37.50000  117.20000
   54    56    58    60.00000  120.94000
   54    56    60    15.00000   60.43100
   54    60    56    15.00000   59.14900
   56    54    55    37.50000  117.20000
   56    58    59    45.00000  109.38400
   56    58    61    70.00000  112.37300
   56    58    63    50.00000  109.50000
   58    56    57    40.00000  115.04500
   58    61    62    37.50000  110.70000
   58    61    64    58.35000  112.70000
   58    61    65    58.35000  112.70000
   58    63    69    83.00000  116.90000
   61    58    59    37.50000  110.70000
   61    64    48    58.35000  112.70000
   61    64    71    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   64    53    54    65.00000  117.92700
   64    61    62    37.50000  110.70000
   64    48    49    37.50000  110.70000
   64    48    50    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    74    37.50000  110.70000
   48    40    41    50.00000  109.50000
   48    40    46    63.00000  111.10000
   50    48    49    33.00000  107.80000
   71    64    48    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   65    61    62    37.50000  110.70000
   65    61    64    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    61    50.00000  109.50000
   63    69    70    83.00000  123.40000
   63    69    75    81.00000  111.40000
   69    75    76    35.00000  109.50000
   69    75    77    35.00000  109.50000
   69    75    78    35.00000  109.50000
   75    69    70    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   60    54    55    50.00000  114.27700
   60    54    56    15.00000   60.43100
   60    56    57    50.00000  114.27700
   60    56    58    80.00000  116.47100
   42    33    37    63.00000  111.10000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.30150 -1.0 2.0
   29    33    37    39   0.00000  1.0 1.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   29    33    40    48   0.44750  1.0 1.0
   29    33    40    48  -0.17800 -1.0 2.0
   29    33    40    48   0.20200  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    40    46    47   0.30150 -1.0 2.0
   33    40    46    51   0.65300  1.0 1.0
   33    40    46    51  -0.03850 -1.0 2.0
   33    40    46    51   0.33900  1.0 3.0
   33    40    48    64   0.56750  1.0 1.0
   33    40    48    64  -0.07550 -1.0 2.0
   33    40    48    64   0.20000  1.0 3.0
   33    40    48    49   0.15000  1.0 3.0
   33    40    48    50   0.15000  1.0 3.0
   37    33    40    41  -0.09450  1.0 1.0
   37    33    40    41  -1.12950 -1.0 2.0
   37    33    40    41   0.54000  1.0 3.0
   37    33    40    46   0.11950  1.0 1.0
   37    33    40    46   0.20300 -1.0 2.0
   37    33    40    46  -0.70800  1.0 3.0
   37    33    40    48  -0.95700  1.0 1.0
   37    33    40    48  -0.18200 -1.0 2.0
   37    33    40    48   0.29450  1.0 3.0
   37    33    42    43  -0.11250  1.0 3.0
   37    33    42    44  -0.11250  1.0 3.0
   37    33    42    45  -0.11250  1.0 3.0
   40    33    37    38   0.30150 -1.0 2.0
   40    33    37    39   0.74550  1.0 1.0
   40    33    37    39  -0.00500 -1.0 2.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   40    46    51    52   0.04550  1.0 1.0
   40    46    51    52   0.83000 -1.0 2.0
   40    46    51    52  -0.04000  1.0 3.0
   40    46    51    53  -0.33500  1.0 1.0
   40    46    51    53   1.06600 -1.0 2.0
   40    46    51    53  -0.14000  1.0 3.0
   41    40    46    47   0.30150 -1.0 2.0
   41    40    46    51   0.65300  1.0 1.0
   41    40    46    51  -0.03850 -1.0 2.0
   41    40    46    51   0.33900  1.0 3.0
   41    40    48    64   0.62750  1.0 1.0
   41    40    48    64  -0.30950 -1.0 2.0
   41    40    48    64   0.27300  1.0 3.0
   41    40    48    49   0.23400  1.0 3.0
   41    40    48    50   0.23400  1.0 3.0
   46    40    48    64  -0.95700  1.0 1.0
   46    40    48    64  -0.18200 -1.0 2.0
   46    40    48    64   0.29450  1.0 3.0
   46    40    48    49  -0.11250  1.0 3.0
   46    40    48    50  -0.11250  1.0 3.0
   46    51    53    54   7.00000 -1.0 2.0
   46    51   -53    64   7.00000 -1.0 2.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    53   1.00000 -1.0 2.0
   51    53    54    55   0.00000  1.0 1.0
   51    53    54    56   0.09850  1.0 1.0
   51    53    54    56   0.15250 -1.0 2.0
   51    53    54    56  -0.50650  1.0 3.0
   51    53    54    60   0.39000  1.0 1.0
   51    53    54    60  -0.05800 -1.0 2.0
   51    53    54    60  -0.55150  1.0 3.0
   51    53    64    61   0.09850  1.0 1.0
   51    53    64    61   0.15250 -1.0 2.0
   51    53    64    61  -0.50650  1.0 3.0
   51    53    64    48   0.09850  1.0 1.0
   51    53    64    48   0.15250 -1.0 2.0
   51    53    64    48  -0.50650  1.0 3.0
   51    53    64    71   0.09850  1.0 1.0
   51    53    64    71   0.15250 -1.0 2.0
   51    53    64    71  -0.50650  1.0 3.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    64   7.00000 -1.0 2.0
   53    54    56    57   0.15000  1.0 3.0
   53    54    56    58   0.34400  1.0 1.0
   53    54    56    58   0.09450 -1.0 2.0
   53    54    56    58   0.11100  1.0 3.0
   53    54   -56    60   0.61850  1.0 1.0
   53    54   -56    60  -0.22750 -1.0 2.0
   53    54   -56    60   0.15300  1.0 3.0
   53    54   -60    56  -0.77900  1.0 1.0
   53    54   -60    56  -0.36900 -1.0 2.0
   53    54   -60    56   0.40400  1.0 3.0
   53    64   -48    40   0.34400  1.0 1.0
   53    64   -48    40   0.09450 -1.0 2.0
   53    64   -48    40   0.11100  1.0 3.0
   53    64    48    49   0.15000  1.0 3.0
   53    64    48    50   0.15000  1.0 3.0
   53    64    71    72   0.15000  1.0 3.0
   53    64    71    73   0.15000  1.0 3.0
   53    64    71    74   0.15000  1.0 3.0
   54    53    64    61   0.46850  1.0 1.0
   54    53    64    61   0.08550 -1.0 2.0
   54    53    64    61   0.09800  1.0 3.0
   54    53    64    48   0.46850  1.0 1.0
   54    53    64    48   0.08550 -1.0 2.0
   54    53    64    48   0.09800  1.0 3.0
   54    53    64    71   0.46850  1.0 1.0
   54    53    64    71   0.08550 -1.0 2.0
   54    53    64    71   0.09800  1.0 3.0
   54    56    58    59   0.15000  1.0 3.0
   54    56   -58    61   0.07850  1.0 1.0
   54    56   -58    61  -0.03950 -1.0 2.0
   54    56   -58    61   0.67350  1.0 3.0
   54    56    58    63  -0.26800  1.0 1.0
   54    56    58    63   0.69150 -1.0 2.0
   54    56    58    63  -0.48750  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54   -56    60   0.23400  1.0 3.0
   55    54   -60    56   0.36800  1.0 3.0
   56    58    61    62   0.15000  1.0 3.0
   56    58    61    64   0.47050  1.0 1.0
   56    58    61    64   0.03900 -1.0 2.0
   56    58    61    64   0.20100  1.0 3.0
   56    58    61    65   0.47050  1.0 1.0
   56    58    61    65   0.03900 -1.0 2.0
   56    58    61    65   0.20100  1.0 3.0
   56    58    63    69  -0.25900  1.0 1.0
   56    58    63    69  -0.47000 -1.0 2.0
   56    58    63    69   0.11750  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    61   0.15000  1.0 3.0
   57    56    58    63   0.23400  1.0 3.0
   57    56   -60    54   0.36800  1.0 3.0
   58    56   -60    54   0.06250  1.0 1.0
   58    56   -60    54  -0.01100 -1.0 2.0
   58    56   -60    54   0.28050  1.0 3.0
   58    61   -64    53   0.34400  1.0 1.0
   58    61   -64    53   0.09450 -1.0 2.0
   58    61   -64    53   0.11100  1.0 3.0
   58    61    64    48   0.56750  1.0 1.0
   58    61    64    48  -0.07550 -1.0 2.0
   58    61    64    48   0.20000  1.0 3.0
   58    61    64    71   0.56750  1.0 1.0
   58    61    64    71  -0.07550 -1.0 2.0
   58    61    64    71   0.20000  1.0 3.0
   58    61    65    66   0.15000  1.0 3.0
   58    61    65    67   0.15000  1.0 3.0
   58    61    65    68   0.15000  1.0 3.0
   58    63    69    70   3.00000 -1.0 2.0
   58    63    69    75   1.63150  1.0 1.0
   58    63    69    75   2.92000 -1.0 2.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   59    58    61    65   0.15000  1.0 3.0
   59    58    63    69   0.08050  1.0 3.0
   61    58    63    69  -0.25900  1.0 1.0
   61    58    63    69  -0.47000 -1.0 2.0
   61    58    63    69   0.11750  1.0 3.0
   61    64    48    40   0.56750  1.0 1.0
   61    64    48    40  -0.07550 -1.0 2.0
   61    64    48    40   0.20000  1.0 3.0
   61    64    48    49   0.15000  1.0 3.0
   61    64    48    50   0.15000  1.0 3.0
   61    64    71    72   0.15000  1.0 3.0
   61    64    71    73   0.15000  1.0 3.0
   61    64    71    74   0.15000  1.0 3.0
   62    61    64    53   0.15000  1.0 3.0
   62    61    64    48   0.15000  1.0 3.0
   62    61    64    71   0.15000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   64    53    54    55   0.34800  1.0 3.0
   64    53   -54    56   0.46850  1.0 1.0
   64    53   -54    56   0.08550 -1.0 2.0
   64    53   -54    56   0.09800  1.0 3.0
   64    53    54    60   0.09700  1.0 1.0
   64    53    54    60   0.15600 -1.0 2.0
   64    53    54    60  -0.50800  1.0 3.0
   64    61    65    66   0.15000  1.0 3.0
   64    61    65    67   0.15000  1.0 3.0
   64    61    65    68   0.15000  1.0 3.0
   48    40    46    47   0.30150 -1.0 2.0
   48    40   -46    51   0.65300  1.0 1.0
   48    40   -46    51  -0.03850 -1.0 2.0
   48    40   -46    51   0.33900  1.0 3.0
   48    64    71    72   0.15000  1.0 3.0
   48    64    71    73   0.15000  1.0 3.0
   48    64    71    74   0.15000  1.0 3.0
   71    64    48    40   0.56750  1.0 1.0
   71    64    48    40  -0.07550 -1.0 2.0
   71    64    48    40   0.20000  1.0 3.0
   71    64    48    49   0.15000  1.0 3.0
   71    64    48    50   0.15000  1.0 3.0
   65    61    64    53   0.34400  1.0 1.0
   65    61    64    53   0.09450 -1.0 2.0
   65    61    64    53   0.11100  1.0 3.0
   65    61    64    48   0.56750  1.0 1.0
   65    61    64    48  -0.07550 -1.0 2.0
   65    61    64    48   0.20000  1.0 3.0
   65    61    64    71   0.56750  1.0 1.0
   65    61    64    71  -0.07550 -1.0 2.0
   65    61    64    71   0.20000  1.0 3.0
   63    58    61    62   0.23400  1.0 3.0
   63    58    61    64   0.62750  1.0 1.0
   63    58    61    64  -0.30950 -1.0 2.0
   63    58    61    64   0.27300  1.0 3.0
   63    58    61    65   0.62750  1.0 1.0
   63    58    61    65  -0.30950 -1.0 2.0
   63    58    61    65   0.27300  1.0 3.0
   63    69    75    76   0.00000  1.0 1.0
   63    69    75    77   0.00000  1.0 1.0
   63    69    75    78   0.00000  1.0 1.0
   70    69    75    76   0.00000  1.0 1.0
   70    69    75    77   0.00000  1.0 1.0
   70    69    75    78   0.00000  1.0 1.0
   60    54   -56    57   0.23400  1.0 3.0
   60    54   -56    58   0.02550  1.0 1.0
   60    54   -56    58  -0.02600 -1.0 2.0
   60    54   -56    58   1.20400  1.0 3.0
   60    56    58    59   0.23400  1.0 3.0
   60    56    58    61   0.02550  1.0 1.0
   60    56    58    61  -0.02600 -1.0 2.0
   60    56    58    61   1.20400  1.0 3.0
   60    56    58    63   1.11900  1.0 1.0
   60    56    58    63  -1.16350 -1.0 2.0
   60    56    58    63  -0.34150  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    39   0.74550  1.0 1.0
   42    33    37    39  -0.00500 -1.0 2.0
   42    33    40    41   0.62750  1.0 1.0
   42    33    40    41  -0.30950 -1.0 2.0
   42    33    40    41   0.27300  1.0 3.0
   42    33    40    46  -0.95700  1.0 1.0
   42    33    40    46  -0.18200 -1.0 2.0
   42    33    40    46   0.29450  1.0 3.0
   42    33    40    48   0.56750  1.0 1.0
   42    33    40    48  -0.07550 -1.0 2.0
   42    33    40    48   0.20000  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
   33    39    37    38  10.50000 -1.0 2.0
   40    51    46    47  10.50000 -1.0 2.0
   46    52    51    53   1.10000 -1.0 2.0
   54    64    53    51   1.10000 -1.0 2.0
   63    75    69    70  10.50000 -1.0 2.0
END
