* LIGAND DATABASE FILE (OPLS2005)
*
001      98   102    188    314     573
    1     0 S   NP   _N1_     1    28.57878    96.81717   -21.37449
    2     1 S   H    _HN1     2     1.02950    72.03723     6.88293
    3     1 S   H    _H1_     3     1.02827    45.98048   144.81476
    4     1 S   H    _H2_     4     1.02787    91.83604  -101.82572
    5     1 S   CT   _CA1     5     1.50095   152.44630   106.75842
    6     5 S   HC   _HA1     6     1.09568   105.22936    87.51258
    7     5 S   CO3  _C1_     7     1.53845   112.48686   -32.81088
    8     7 S   O2Z  _O11     8     1.26379   115.00707   -41.89584
    9     7 S   O2Z  _O12     9     1.26243   114.98242   137.30572
   10     5 S   CT   _CB1    10     1.53083   107.42692  -154.40760
   11    10 S   HC   HB11    11     1.09826   109.56058   -49.09269
   12    10 S   HC   HB12    12     1.09815   110.36722    67.59151
   13    10 S   CT   _CG1    13     1.52930   112.48858  -170.04264
   14    13 S   HC   HG11    14     1.09563   110.49248   -63.15314
   15    13 S   HC   HG12    15     1.09657   109.87993    56.05167
   16    13 S   C    _CD1    16     1.51736   112.35266   176.77135
   17    16 S   O    _OE1    17     1.22726   123.35388     5.08585
   18    16 S   N    _N2_    18     1.38545   111.55445  -175.20596
   19    18 S   H    _HN2    19     1.01688   119.03387     1.05202
   20    18 S   CT1  _CA2    20     1.46195   123.71598  -178.15337
   21    20 S   HC   _HA2    21     1.09729   109.11157    10.05262
   22    20 S   C    _C2_    22     1.53589   109.77707  -106.09034
   23    22 S   O    _O2_    23     1.23120   122.04102  -152.48902
   24    20 S   CT   _CB2    32     1.53500   110.92494   131.55783
   25    24 S   HC   HB21    33     1.09336   109.04045    60.63371
   26    24 S   HC   HB22    34     1.09476   110.27706   178.99634
   27    22 S   N    _N3_    24     1.38261   114.13678    35.03684
   28    27 S   H    _HN3    25     1.01538   119.62599    -3.68918
   29    24 S   S    _SG2    35     1.83309   110.87572   -61.18880
   30    27 S   CT   _CA3    26     1.45279   123.16688   177.08731
   31    30 S   HC   HA31    27     1.09552   107.54321   -63.71739
   32    30 S   HC   HA32    28     1.09560   107.93442    52.69445
   33    29 S   CT   _C26    36     1.92494   101.70572   160.38076
   34    30 S   CO3  _C3_    29     1.52947   114.14792   174.68931
   35    34 S   O2Z  _O31    30     1.26369   116.11341     0.12511
   36    34 S   O2Z  _O32    31     1.26440   114.39558  -179.83929
   37    33 S   CO4  _C27    37     1.53934   102.34618    57.77473
   38    37 S   O    _O36    38     1.23164   122.74526    49.40737
   39    33 S   CM   _C17    49     1.53195   106.69460   -61.22722
   40    37 S   CA   _C13    39     1.47303   118.59850  -131.72582
   41    39 S   CT   _C18    50     1.54335   114.12245   -63.72347
   42    41 S   HC   _H7_    51     1.09739   109.82341  -147.44932
   43    40 S   CA   _C12    40     1.40702   116.76923  -167.30215
   44    43 S   HA   _H14    41     1.08778   121.04580    -0.09891
   45    41 S   CT   _C19    52     1.53920   113.82958   -27.94105
   46    45 S   HC   _H16    53     1.09344   110.54632    92.79976
   47    45 S   HC   _H17    54     1.09898   107.36118  -153.30287
   48    41 S   OH   _O40    75     1.42768   110.41580    95.23932
   49    48 S   HO   _H27    76     0.97243   107.04295   174.68703
   50    43 S   CA   _C11    42     1.38887   120.91535   179.52276
   51    50 S   HA   _H13    43     1.08677   118.87465   179.53061
   52    45 S   CT   _C20    55     1.53391   111.44012   -32.72643
   53    50 S   CA   _C10    44     1.39355   120.13447    -0.60845
   54    52 S   CT   _C21    56     1.54267   112.52654  -170.39088
   55    54 S   HC   _H18    57     1.09929   109.49454    54.85406
   56    54 S   HC   _H19    58     1.10055   108.19586   166.32710
   57    52 S   OH   _O39    73     1.44927   104.61387   -57.67857
   58    57 S   HO   _H26    74     0.97493   105.79181   150.80852
   59    53 S   CA   _C15    45     1.41381   118.20806     1.42395
   60    54 S   CT   _C22    59     1.53423   115.86232   -70.72522
   61    53 S   CT   _C9_    79     1.51943   120.50993   179.34778
   62    61 S   HC   _H6_    80     1.09737   109.01629   148.69406
   63    40 S   CA   _C14    46     1.40098   121.35232    12.91259
   64    60 S   CT   _C23    60     1.52634   113.66747   -23.17205
   65    64 S   HC   _H20    61     1.09755   110.24471  -150.73517
   66    64 S   HC   _H21    62     1.09337   111.55145    91.05796
   67    60 S   CT   _C28    67     1.53383   111.56685   101.79586
   68    67 S   HC   _H22    68     1.09619   110.97850    58.56005
   69    67 S   HC   _H23    69     1.09359   112.20591   -62.71624
   70    67 S   HC   _H24    70     1.09634   110.64669   176.19461
   71    60 S   OH   _O38    71     1.43659   107.71118  -141.95042
   72    71 S   HO   _H25    72     0.97258   107.90855   -56.28232
   73    59 S   OH   _O34    77     1.37914   114.71266   178.96184
   74    73 S   HO   _H15    78     0.97513   107.56546  -178.95601
   75    61 S   CT   _C8_    81     1.53046   110.66837   -89.57053
   76    75 S   HC   _H11    82     1.09707   111.36246   -59.06828
   77    75 S   HC   _H12    83     1.09902   110.33791    58.09389
   78    63 S   CMA  _C16    47     1.52646   121.81032     1.10003
   79    78 S   OM   _O41    48     1.27010   118.92554   171.52115
   80    64 S   CO4  _C24    63     1.51896   112.76561   -30.22742
   81    80 S   O    _O35    64     1.23565   118.79089  -128.93235
   82    75 S   CT   _C7_    84     1.52611   110.68845   178.40480
   83    82 S   HC   _H5_    85     1.09673   110.36697    70.26958
   84    33 S   CT   _C25    65     1.60399   112.29851   178.05278
   85    84 S   OM   _O37    66     1.33174   110.76193  -148.73812
   86    82 S   CT   _C6_    86     1.53165   110.75294   -51.78628
   87    86 S   HC   _H4_    87     1.09709   108.90637   -71.02423
   88    82 S   OH   _O42    97     1.42593   109.36313  -172.14932
   89    88 S   HO   _H28    98     0.97252   107.54673   -58.20408
   90    86 S   CT   _C5_    88     1.53430   110.78227    50.35506
   91    90 S   HC   _H3_    89     1.09799   110.38165    66.48458
   92    86 S   OH   _O43    95     1.42685   109.80213   172.15170
   93    92 S   HO   _H29    96     0.97227   108.07361   -58.53536
   94    61 S   OS   _O33    90     1.43508   110.08296    31.82429
   95    90 S   CT   _C4_    91     1.52520   111.59664  -173.93757
   96    95 S   HC   _H8_    92     1.09564   110.91448    60.54375
   97    95 S   HC   _H9_    93     1.09396   111.69463   -60.94365
   98    95 S   HC   _H10    94     1.09554   110.28218   178.39648
  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
  20   2   1   1  14   5  16  11  13   7   8   4  15   6   5   3
   1   9   3  13  13  17   7   6   5   1   9  12  14   6   4  12
   6   5   6   3   2   1   2   1   2   1  11   6   5   2   1   3
   2  11   6   1   1  12   7   3   1   8   6   3   1   4   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    39    84    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    78    39    41    52    80    84    85  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    63    78    79    39    41    42    45    52    54    64    80    81    84    85    57    48  
   35    36  
   36  
    0  
   38    40    43    44    50    59    63    78    39    41    52    80    84    85  
   40    43    63    39    84  
   41    42    45    46    47    52    80    84    85    48    49    40    59    63    78    79  
   43    44    50    51    53    59    63    78    79    84    73  
   42    45    46    47    52    54    84    57    48    49    63    78    79  
   45    46    47    52    48    49    78  
   44    50    51    53    59    63    78    61  
   50    51    53    63  
   46    47    52    54    55    56    60    80    84    85    57    58    48    49    78  
   47    52    54    84    57    48  
   52    54    84    57    48  
   49    52    78  
    0  
   51    53    59    63    73    61    62    75    94  
   53    59    61  
   54    55    56    60    64    80    81    84    85    67    71    57    58  
   59    63    78    73    74    61    62    75    76    77    82    90    94  
   55    56    60    64    65    66    80    84    85    67    68    69    70    71    72    57    58  
   56    60    64    84    67    71    57  
   60    64    84    67    71    57  
   58    60    80    84    85  
   84  
   63    78    79    73    74    61    62    75    94  
   64    65    66    80    81    84    67    68    69    70    71    72  
   62    75    76    77    82    83    86    90    91    94    95    88    63    73  
   75    76    77    82    90    94  
   78    79    73    74  
   65    66    80    81    84    85    67    68    69    70    71    72  
   66    80    81    84    67    71  
   80    81    84    67    71  
   68    69    70    71    72    80  
   69    70    71  
   70    71  
   71  
   72    80  
    0  
   74    78  
    0  
   76    77    82    83    86    87    90    94    92    88    89  
   77    82    83    86    94    88  
   82    83    86    94    88  
   79    84  
    0  
   81    84    85  
   84    85  
   83    86    87    90    91    94    95    92    93    88    89  
   86    87    90    92    88    89  
   85  
    0  
   87    90    91    94    95    96    97    98    92    93    88    89  
   90    91    94    95    92    93    88  
   89    90    92  
    0  
   91    94    95    96    97    98    92    93  
   94    95    96    97    98    92  
   93    94    95  
    0  
   95    96    97    98  
   96    97    98  
   97    98  
   98  
    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   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   79   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   80   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   86   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   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   317.000  1.522
   33    39   317.000  1.510
   33    84   268.000  1.529
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    63   469.000  1.400
   43    44   367.000  1.080
   43    50   469.000  1.400
   50    51   367.000  1.080
   50    53   469.000  1.400
   53    59   469.000  1.400
   53    61   317.000  1.510
   59    63   469.000  1.400
   59    73   450.000  1.364
   63    78   320.000  1.460
   78    79   745.000  1.250
   78    39   465.000  1.376
   39    41   317.000  1.510
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    48   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   268.000  1.529
   52    54   268.000  1.529
   52    84   268.000  1.529
   52    57   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   268.000  1.529
   60    64   268.000  1.529
   60    67   268.000  1.529
   60    71   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    80   317.000  1.522
   80    81   570.000  1.229
   80    84   317.000  1.522
   84    85   570.000  1.307
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   553.000  0.945
   57    58   553.000  0.945
   48    49   553.000  0.945
   73    74   553.000  0.945
   61    62   340.000  1.090
   61    75   268.000  1.529
   61    94   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    82   268.000  1.529
   82    83   340.000  1.090
   82    86   268.000  1.529
   82    88   320.000  1.410
   86    87   340.000  1.090
   86    90   268.000  1.529
   86    92   320.000  1.410
   90    91   340.000  1.090
   90    94   320.000  1.410
   90    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   92    93   553.000  0.945
   88    89   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  110.18000
   29    33    39    75.00000  112.20000
   29    33    84    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    39    78    70.00000  124.00000
   33    39    41    65.00000  117.92700
   33    84    52    58.35000  112.70000
   33    84    80    63.00000  111.10000
   33    84    85    50.00000  109.50000
   37    40    43    60.00000  119.52600
   37    40    63    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    44    35.00000  120.00000
   40    43    50    63.00000  120.00000
   40    63    59    63.00000  120.00000
   40    63    78    60.00000  120.93500
   43    50    51    35.00000  120.00000
   43    50    53    63.00000  120.00000
   50    43    44    35.00000  120.00000
   50    53    59    63.00000  120.00000
   50    53    61    70.00000  120.00000
   53    50    51    35.00000  120.00000
   53    59    63    63.00000  120.00000
   53    59    73    70.00000  120.00000
   53    61    62    35.00000  109.50000
   53    61    75    70.00000  112.17500
   53    61    94    85.00000  111.85700
   59    63    78    60.00000  120.93500
   59    73    74    35.00000  113.00000
   63    40    43    63.00000  120.00000
   63    78    79    85.00000  114.86500
   63    78    39    60.00000  123.20500
   78    39    41    70.00000  124.00000
   39    33    37    70.00000  109.06800
   39    78    79    65.00000  137.10300
   39    41    42    35.00000  109.50000
   39    41    45    70.00000  112.02700
   39    41    48    90.00000  110.39200
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    52    58.35000  112.70000
   41    48    49    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    52    54    58.35000  112.70000
   45    52    84    58.35000  112.70000
   45    52    57    50.00000  109.50000
   47    45    46    33.00000  107.80000
   52    45    46    37.50000  110.70000
   52    45    47    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    60    58.35000  112.70000
   52    84    80    63.00000  111.10000
   52    84    85    50.00000  109.50000
   52    57    58    55.00000  108.50000
   54    60    64    58.35000  112.70000
   54    60    67    58.35000  112.70000
   54    60    71    50.00000  109.50000
   56    54    55    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    80    63.00000  111.10000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    37.50000  110.70000
   60    71    72    55.00000  108.50000
   64    80    81    80.00000  120.40000
   64    80    84    70.00000  116.00000
   66    64    65    33.00000  107.80000
   80    64    65    35.00000  109.50000
   80    64    66    35.00000  109.50000
   80    84    85    90.00000  108.74100
   84    33    37    63.00000  111.10000
   84    33    39    70.00000  112.02700
   84    52    54    58.35000  112.70000
   84    80    81    80.00000  120.40000
   67    60    64    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    60    64    50.00000  109.50000
   71    60    67    50.00000  109.50000
   57    52    54    50.00000  109.50000
   57    52    84    50.00000  109.50000
   48    41    42    35.00000  109.50000
   48    41    45    50.00000  109.50000
   73    59    63    70.00000  120.00000
   61    53    59    70.00000  120.00000
   61    75    76    37.50000  110.70000
   61    75    77    37.50000  110.70000
   61    75    82    58.35000  112.70000
   61    94    90    60.00000  109.50000
   75    61    62    37.50000  110.70000
   75    82    83    37.50000  110.70000
   75    82    86    58.35000  112.70000
   75    82    88    50.00000  109.50000
   77    75    76    33.00000  107.80000
   82    75    76    37.50000  110.70000
   82    75    77    37.50000  110.70000
   82    86    87    37.50000  110.70000
   82    86    90    58.35000  112.70000
   82    86    92    50.00000  109.50000
   82    88    89    55.00000  108.50000
   86    82    83    37.50000  110.70000
   86    90    91    37.50000  110.70000
   86    90    94    50.00000  109.50000
   86    90    95    58.35000  112.70000
   86    92    93    55.00000  108.50000
   90    86    87    37.50000  110.70000
   90    95    96    37.50000  110.70000
   90    95    97    37.50000  110.70000
   90    95    98    37.50000  110.70000
   94    61    62    35.00000  109.50000
   94    61    75    50.00000  109.50000
   94    90    91    35.00000  109.50000
   95    90    91    37.50000  110.70000
   95    90    94    50.00000  109.50000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   92    86    87    35.00000  109.50000
   92    86    90    50.00000  109.50000
   88    82    83    35.00000  109.50000
   88    82    86    50.00000  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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    84   0.01700  1.0 1.0
   24    29    33    84  -0.23550 -1.0 2.0
   24    29    33    84   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    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    39    78   0.42700  1.0 1.0
   29    33    39    78  -0.70350 -1.0 2.0
   29    33    39    78  -0.43150  1.0 3.0
   29    33    39    41   0.30250  1.0 1.0
   29    33    39    41  -0.14950 -1.0 2.0
   29    33    39    41   0.36900  1.0 3.0
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   88    82    86    90  -0.17500 -1.0 2.0
   88    82    86    90   0.20800  1.0 3.0
   88    82    86    92   3.75450  1.0 1.0
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    40    37    38  10.50000 -1.0 2.0
   43    63    40    37   4.00000 -1.0 2.0
   50    44    43    40   1.10000 -1.0 2.0
   53    51    50    43   1.10000 -1.0 2.0
   59    61    53    50   4.00000 -1.0 2.0
   63    73    59    53   4.00000 -1.0 2.0
   59    78    63    40   4.00000 -1.0 2.0
   63    79    78    39   1.10000 -1.0 2.0
   33    41    39    78   1.10000 -1.0 2.0
   64    84    80    81  10.50000 -1.0 2.0
END
