* LIGAND DATABASE FILE (OPLS2005)
*
001      99   103    189    317     578
    1     0 S   NP   _N1_     1    28.28760    96.60656   -23.71299
    2     1 S   H    _HN1     2     1.02957    71.70033     7.01884
    3     1 S   H    _H1_     3     1.02834    38.26974   163.58937
    4     1 S   H    _H2_     4     1.02774   105.90595   -97.49555
    5     1 S   CT   _CA1     5     1.50145   138.08797   107.39515
    6     5 S   HC   _HA1     6     1.09575   105.19866    92.53797
    7     5 S   CO3  _C1_     7     1.53787   112.38193   -27.61383
    8     7 S   O2Z  _O11     8     1.26367   114.98512   -42.88771
    9     7 S   O2Z  _O12     9     1.26238   114.93629   136.16100
   10     5 S   CT   _CB1    10     1.53094   107.41097  -149.55882
   11    10 S   HC   HB11    11     1.09826   109.31384   -50.40399
   12    10 S   HC   HB12    12     1.09815   110.43025    66.15484
   13    10 S   CT   _CG1    13     1.53007   112.67761  -171.47958
   14    13 S   HC   HG11    14     1.09596   110.47867   -64.84909
   15    13 S   HC   HG12    15     1.09658   109.92183    54.34623
   16    13 S   C    _CD1    16     1.51842   112.34092   174.69592
   17    16 S   O    _OE1    17     1.22746   123.32037     0.31528
   18    16 S   N    _N2_    18     1.38547   111.68871  -179.64723
   19    18 S   H    _HN2    19     1.01561   119.00758     4.13801
   20    18 S   CT1  _CA2    20     1.45786   122.89014   178.13554
   21    20 S   HC   _HA2    21     1.09723   108.96375    24.32412
   22    20 S   C    _C2_    22     1.52846   107.08438   -93.01095
   23    22 S   O    _O2_    23     1.22982   122.88472   -31.64441
   24    20 S   CT   _CB2    32     1.53230   112.05519   147.59917
   25    24 S   HC   HB21    33     1.09452   109.95900    51.76133
   26    24 S   HC   HB22    34     1.09384   109.62600   170.47626
   27    22 S   N    _N3_    24     1.38564   112.63526   151.38645
   28    27 S   H    _HN3    25     1.01638   120.30540    -3.72236
   29    24 S   S    _SG2    35     1.82800   110.58346   -69.36286
   30    27 S   CT   _CA3    26     1.45389   122.31690   178.23254
   31    30 S   HC   HA31    27     1.09581   107.52299   -57.73210
   32    30 S   HC   HA32    28     1.09552   107.87435    58.46645
   33    29 S   CT   _C17    36     1.89539   101.31776   177.88058
   34    30 S   CO3  _C3_    29     1.52831   114.18701   179.82754
   35    34 S   O2Z  _O31    30     1.26363   115.91512   -22.15528
   36    34 S   O2Z  _O32    31     1.26380   114.66126   158.01634
   37    33 S   CO4  _C16    37     1.52976   107.15535    55.96931
   38    37 S   O    _O35    38     1.22636   124.60793  -115.57163
   39    33 S   CT   _C18    86     1.55262   109.51480   -63.83982
   40    39 S   HC   _H7_    87     1.09738   109.75859    79.50418
   41    37 S   CA   _C14    39     1.47472   115.50453    61.99236
   42    39 S   OH   _O41    88     1.42798   111.70447   -36.71686
   43    42 S   HO   _H28    89     0.97256   107.57966   160.80149
   44    41 S   CA   _C13    40     1.40224   116.45873    29.58351
   45    44 S   CA   _C12    41     1.40684   116.87549  -172.66909
   46    45 S   HA   _H14    42     1.08831   120.78488   179.46955
   47    44 S   CMA  _C27    69     1.52071   121.43212    11.19322
   48    47 S   OM   _O37    70     1.26823   117.74995   153.76999
   49    45 S   CA   _C11    43     1.40022   121.52699    -0.27052
   50    49 S   HA   _H13    44     1.08765   118.38736   178.79748
   51    33 S   CM   _C26    71     1.54047   108.12092   169.36107
   52    49 S   CA   _C10    45     1.40103   121.10223    -1.08246
   53    51 S   CT   _C25    72     1.55004   113.96732   112.67746
   54    41 S   CA   _C15    46     1.40539   121.32917  -144.53615
   55    52 S   CT   _C9_    49     1.51733   120.95569   177.84996
   56    55 S   HC   _H6_    50     1.09765   108.85778   149.20052
   57    53 S   CO4  _C24    73     1.53174   114.17614   -74.69204
   58    57 S   O    _O36    74     1.23170   123.00814   -10.70760
   59    53 S   OH   _O38    98     1.44338   113.56613   172.54749
   60    59 S   HO   _H22    99     0.97442   107.80678    33.66815
   61    54 S   OH   _O34    47     1.37145   121.72746    -5.17896
   62    61 S   HO   _H15    48     0.97353   109.10028    -8.53288
   63    55 S   CT   _C8_    51     1.53012   110.30784   -89.38560
   64    63 S   HC   _H11    52     1.09649   111.16833   -58.71946
   65    63 S   HC   _H12    53     1.09905   110.38243    58.30900
   66    57 S   CT   _C23    75     1.51981   116.89305   176.10580
   67    66 S   HC   _H20    76     1.09771   107.05993    77.24004
   68    66 S   HC   _H21    77     1.09714   108.64327  -169.08555
   69    63 S   CT   _C7_    54     1.52538   110.72244   178.67529
   70    69 S   HC   _H5_    55     1.09674   110.41022    70.10436
   71    66 S   CT   _C22    78     1.53082   114.49657   -45.35675
   72    69 S   CT   _C6_    56     1.53186   110.59764   -51.93324
   73    72 S   HC   _H4_    57     1.09710   108.91888   -70.91369
   74    69 S   OH   _O42    67     1.42554   109.34974  -172.24483
   75    74 S   HO   _H29    68     0.97714   107.27607   -60.11709
   76    71 S   CT   _C21    79     1.53881   112.79394    41.37462
   77    76 S   HC   _H18    80     1.09936   110.08205  -171.46286
   78    76 S   HC   _H19    81     1.10116   108.03289    77.08271
   79    71 S   CT   _C28    92     1.52899   111.51399   -87.59085
   80    79 S   HC   _H23    93     1.09597   110.95905   178.53901
   81    79 S   HC   _H24    94     1.08702   112.87082    56.58742
   82    79 S   HC   _H25    95     1.09673   110.62862   -64.05810
   83    71 S   OH   _O39    96     1.44063   106.30235   157.91402
   84    83 S   HO   _H26    97     0.97271   107.98563  -178.86340
   85    72 S   CT   _C5_    58     1.53483   110.79087    50.43740
   86    85 S   HC   _H3_    59     1.09801   110.33790    66.47746
   87    72 S   OH   _O43    65     1.42693   109.90450   172.21137
   88    87 S   HO   _H30    66     0.97230   108.04213   -55.75558
   89    53 S   CT   _C20    82     1.54776   111.00350    52.68282
   90    55 S   OS   _O33    60     1.43369   110.29217    32.04136
   91    85 S   CT   _C4_    61     1.52524   111.59789  -173.97927
   92    91 S   HC   _H8_    62     1.09564   110.90999    60.57715
   93    91 S   HC   _H9_    63     1.09396   111.70038   -60.91021
   94    91 S   HC   _H10    64     1.09555   110.28381   178.42965
   95    89 S   CT   _C19    83     1.54540   114.98665   -47.34622
   96    95 S   HC   _H16    84     1.09563   110.18681  -123.82097
   97    95 S   HC   _H17    85     1.09850   109.35296   120.94910
   98    89 S   OH   _O40    90     1.45176   106.58793    68.40654
   99    98 S   HO   _H27    91     0.97234   108.21466   173.00123
  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  14   5  13   7  12   6   1  11   9   4   8   2
   8   3  10  11  17   6  13   6  13   6   6   1   1   1  11   6
   5  13   5   4  11   6  12  12   7   3   1  14   6   5   6   3
   2   1   2   1   8   6   3   1   5   4   3   2   1   1   4   2
   1   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    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    47    51    53    95    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    54    47    48    51    53    57    89    95    96    97    39    40    42    43    59  
   35    36  
   36  
    0  
   38    41    44    45    52    54    61    47    51    53    95    39    40    42  
   41    44    54    51    39  
   40    42    43    98    41    47    51    53    76    89    95    96    97  
   42    43    51    89    95    96    97  
   44    45    46    49    52    54    61    62    55    47    48    51  
   43    51    89    95    96    97  
   95  
   45    46    49    50    52    54    61    47    48    51    53  
   46    49    50    52    54    55    47    48    51  
   49    50    52    47  
   48    51    53    57    89    59    49    54  
   51    53  
   50    52    54    61    55    56    63    90  
   52    54    55  
   53    57    58    66    76    89    95    98    59    60  
   54    61    62    55    56    63    64    65    69    85    90  
   57    58    66    67    68    71    76    77    78    89    95    96    97    98    99    59    60  
   61    62    55    56    63    90  
   56    63    64    65    69    70    72    85    86    90    91    74    61  
   63    64    65    69    85    90  
   58    66    67    68    71    76    89    95    98    79    83    59    60  
   66    67    68    71    89    59  
   60    66    76    89    95    98  
   89  
   62  
    0  
   64    65    69    70    72    73    85    90    87    74    75  
   65    69    70    72    90    74  
   69    70    72    90    74  
   67    68    71    76    77    78    89    79    80    81    82    83    84  
   68    71    76    79    83  
   71    76    79    83  
   70    72    73    85    86    90    91    87    88    74    75  
   72    73    85    87    74    75  
   76    77    78    89    95    98    79    80    81    82    83    84  
   73    85    86    90    91    92    93    94    87    88    74    75  
   85    86    90    91    87    88    74  
   75    85    87  
    0  
   77    78    89    95    96    97    98    99    79    80    81    82    83    84  
   78    89    95    98    79    83  
   89    95    98    79    83  
   80    81    82    83    84    89  
   81    82    83  
   82    83  
   83  
   84    89  
    0  
   86    90    91    92    93    94    87    88  
   90    91    92    93    94    87  
   88    90    91  
    0  
   95    96    97    98    99  
   91    92    93    94  
   92    93    94  
   93    94  
   94  
    0  
   96    97    98    99  
   97    98  
   98  
   99  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   99   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    51   317.000  1.510
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    44   469.000  1.400
   41    54   469.000  1.400
   44    45   469.000  1.400
   44    47   320.000  1.460
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    54   469.000  1.400
   52    55   317.000  1.510
   54    61   450.000  1.364
   61    62   553.000  0.945
   55    56   340.000  1.090
   55    63   268.000  1.529
   55    90   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    72   268.000  1.529
   69    74   320.000  1.410
   72    73   340.000  1.090
   72    85   268.000  1.529
   72    87   320.000  1.410
   85    86   340.000  1.090
   85    90   320.000  1.410
   85    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   87    88   553.000  0.945
   74    75   553.000  0.945
   47    48   745.000  1.250
   47    51   465.000  1.376
   51    53   317.000  1.510
   53    57   317.000  1.522
   53    89   268.000  1.529
   53    59   320.000  1.410
   57    58   570.000  1.229
   57    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    76   268.000  1.529
   71    79   268.000  1.529
   71    83   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    89   268.000  1.529
   89    95   268.000  1.529
   89    98   320.000  1.410
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    39   268.000  1.529
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   98    99   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   553.000  0.945
   59    60   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    51    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    51    47    70.00000  124.00000
   33    51    53    65.00000  117.92700
   33    39    95    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   37    41    44    60.00000  119.52600
   37    41    54    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    44    45    63.00000  120.00000
   41    44    47    60.00000  120.93500
   41    54    52    63.00000  120.00000
   41    54    61    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    48    85.00000  114.86500
   44    47    51    60.00000  123.20500
   45    49    50    35.00000  120.00000
   45    49    52    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    52    54    63.00000  120.00000
   49    52    55    70.00000  120.00000
   52    49    50    35.00000  120.00000
   52    54    61    70.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    63    70.00000  112.17500
   52    55    90    85.00000  111.85700
   54    41    44    63.00000  120.00000
   54    61    62    35.00000  113.00000
   55    52    54    70.00000  120.00000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    69    58.35000  112.70000
   55    90    85    60.00000  109.50000
   63    55    56    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    72    58.35000  112.70000
   63    69    74    50.00000  109.50000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    85    58.35000  112.70000
   69    72    87    50.00000  109.50000
   69    74    75    55.00000  108.50000
   72    69    70    37.50000  110.70000
   72    85    86    37.50000  110.70000
   72    85    90    50.00000  109.50000
   72    85    91    58.35000  112.70000
   72    87    88    55.00000  108.50000
   85    72    73    37.50000  110.70000
   85    91    92    37.50000  110.70000
   85    91    93    37.50000  110.70000
   85    91    94    37.50000  110.70000
   90    55    56    35.00000  109.50000
   90    55    63    50.00000  109.50000
   90    85    86    35.00000  109.50000
   91    85    86    37.50000  110.70000
   91    85    90    50.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   87    72    73    35.00000  109.50000
   87    72    85    50.00000  109.50000
   74    69    70    35.00000  109.50000
   74    69    72    50.00000  109.50000
   47    44    45    60.00000  120.93500
   47    51    53    70.00000  124.00000
   51    33    37    70.00000  109.06800
   51    47    48    65.00000  137.10300
   51    53    57    70.00000  109.06800
   51    53    89    70.00000  112.02700
   51    53    59    90.00000  110.39200
   53    57    58    80.00000  120.40000
   53    57    66    70.00000  116.00000
   53    89    76    58.35000  112.70000
   53    89    95    58.35000  112.70000
   53    89    98    50.00000  109.50000
   53    59    60    55.00000  108.50000
   57    66    67    35.00000  109.50000
   57    66    68    35.00000  109.50000
   57    66    71    63.00000  111.10000
   66    57    58    80.00000  120.40000
   66    71    76    58.35000  112.70000
   66    71    79    58.35000  112.70000
   66    71    83    50.00000  109.50000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    89    58.35000  112.70000
   71    79    80    37.50000  110.70000
   71    79    81    37.50000  110.70000
   71    79    82    37.50000  110.70000
   71    83    84    55.00000  108.50000
   76    89    95    58.35000  112.70000
   76    89    98    50.00000  109.50000
   78    76    77    33.00000  107.80000
   89    53    57    63.00000  111.10000
   89    76    77    37.50000  110.70000
   89    76    78    37.50000  110.70000
   89    95    96    37.50000  110.70000
   89    95    97    37.50000  110.70000
   89    95    39    58.35000  112.70000
   89    98    99    55.00000  108.50000
   95    39    40    37.50000  110.70000
   95    39    42    50.00000  109.50000
   97    95    96    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    51    70.00000  112.02700
   39    95    96    37.50000  110.70000
   39    95    97    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   98    89    95    50.00000  109.50000
   79    71    76    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    71    76    50.00000  109.50000
   83    71    79    50.00000  109.50000
   59    53    57    90.00000  109.61100
   59    53    89    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    51  -0.62250  1.0 1.0
   24    29    33    51  -0.38450 -1.0 2.0
   24    29    33    51   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    51    47   0.42700  1.0 1.0
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   83    71    79    81   0.23400  1.0 3.0
   83    71    79    82   0.23400  1.0 3.0
   59    53    57    58   0.30150 -1.0 2.0
   59    53    57    66   0.55300  1.0 1.0
   59    53    57    66   1.25850 -1.0 2.0
   59    53    57    66  -0.23600  1.0 3.0
   59    53    89    76   0.86500  1.0 1.0
   59    53    89    76  -0.17500 -1.0 2.0
   59    53    89    76   0.20800  1.0 3.0
   59    53    89    95   0.86500  1.0 1.0
   59    53    89    95  -0.17500 -1.0 2.0
   59    53    89    95   0.20800  1.0 3.0
   59    53    89    98   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    41    37    38  10.50000 -1.0 2.0
   44    54    41    37   4.00000 -1.0 2.0
   45    47    44    41   4.00000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   52    50    49    45   1.10000 -1.0 2.0
   54    55    52    49   4.00000 -1.0 2.0
   52    61    54    41   4.00000 -1.0 2.0
   44    48    47    51   1.10000 -1.0 2.0
   33    53    51    47   1.10000 -1.0 2.0
   53    66    57    58  10.50000 -1.0 2.0
END
