* LIGAND DATABASE FILE (OPLS2005)
*
001     119   120    215    308     621
    1     0 S   NP   _N1_     1    28.93011    93.96729   -18.75042
    2     1 S   H    _HN1     2     1.02816    27.08753   162.86039
    3     1 S   H    _H1_     3     1.02784    83.72046   -43.04908
    4     1 S   H    _H2_     4     1.02993   104.75515    64.30941
    5     1 S   CT   _CA1     5     1.50232   133.34926  -157.97384
    6     5 S   HC   _HA1     6     1.09607   105.14617    41.15645
    7     5 S   CO3  _C1_     7     1.53855   112.53155   -78.58815
    8     7 S   O2Z  _O11     8     1.26363   115.05406   -36.91681
    9     7 S   O2Z  _O12     9     1.26298   114.93393   141.98089
   10     5 S   CT   _CB1    10     1.53064   107.20375   158.77211
   11    10 S   HC   HB11    11     1.09821   109.00149   -51.86531
   12    10 S   HC   HB12    12     1.09841   110.37118    64.40390
   13    10 S   CT   _CG1    13     1.53033   113.03113  -173.34734
   14    13 S   HC   HG11    14     1.09582   109.97012   -64.91916
   15    13 S   HC   HG12    15     1.09616   110.45284    54.25340
   16    13 S   C    _CD1    16     1.51828   111.84371   173.95172
   17    16 S   O    _OE1    17     1.22778   122.93091   -24.37139
   18    16 S   N    _N2_    18     1.38568   112.08031   156.89853
   19    18 S   H    _HN2    19     1.01580   119.08147     1.29950
   20    18 S   CT1  _CA2    20     1.46269   123.33729  -176.12930
   21    20 S   HC   _HA2    21     1.09737   109.28088   -19.84921
   22    20 S   C    _C2_    22     1.53354   108.25593  -135.65915
   23    22 S   O    _O2_    23     1.23002   122.33551  -145.32992
   24    20 S   CT   _CB2    32     1.53664   111.30363   102.26180
   25    24 S   HC   HB21    33     1.09275   109.36544    55.77447
   26    24 S   HC   HB22    34     1.09523   110.23723   173.99505
   27    22 S   N    _N3_    24     1.38534   113.24839    42.04708
   28    27 S   H    _HN3    25     1.01543   118.88542    -0.56441
   29    24 S   S    _SG2    35     1.83000   111.33660   -67.08965
   30    27 S   CT   _CA3    26     1.45434   123.36416   174.98261
   31    30 S   HC   HA31    27     1.09530   109.12220    26.52124
   32    30 S   HC   HA32    28     1.09491   107.15466   143.52087
   33    29 S   CT   _C16    36     1.83959   103.09386   154.62484
   34    33 S   HC   _H9_    37     1.09648   103.57181   157.54438
   35    30 S   CO3  _C3_    29     1.52937   113.18956   -96.85997
   36    35 S   O2Z  _O31    30     1.26397   115.44860   -43.42207
   37    35 S   O2Z  _O32    31     1.26361   114.95257   137.51335
   38    33 S   CM   _C15    38     1.50758   111.23377    42.38500
   39    38 S   HC   _H19    39     1.08876   116.52831   -93.65542
   40    33 S   CT   _C17    74     1.55246   115.26164   -87.15214
   41    40 S   HC   _H10    75     1.10095   107.49960   174.78579
   42    38 S   CM   _C14    40     1.34263   127.14824    88.89617
   43    42 S   HC   _H18    41     1.08967   116.90985   177.53455
   44    40 S   CT   _C27    76     1.53024   116.70807    56.51240
   45    44 S   HC   _H26    77     1.09363   112.28407   -65.20581
   46    44 S   HC   _H27    78     1.09650   110.12017   176.26283
   47    44 S   HC   _H28    79     1.09352   111.64859    57.31005
   48    42 S   CT   _C13    42     1.51045   127.67282    -4.71098
   49    48 S   HC   _H8_    43     1.09674   111.49923   -15.25200
   50    48 S   CT   _C12    44     1.55217   110.90771   105.24962
   51    50 S   HC   _H7_    45     1.09962   107.01980   -61.23680
   52    48 S   OS   _O37   115     1.43511   107.50472  -134.67087
   53    50 S   CM   _C11    46     1.53064   112.36299   178.52064
   54    50 S   OS   _O38   109     1.44860   109.44972    56.17027
   55    52 S   CT   _C28   116     1.42277   112.92203    88.09462
   56    55 S   HC   _H29   117     1.09325   108.20094  -179.30564
   57    55 S   HC   _H30   118     1.09441   110.38374    62.15998
   58    55 S   HC   _H31   119     1.09376   110.94196   -60.35216
   59    53 S   CM   _C10    47     1.35035   119.55917    91.30967
   60    59 S   HC   _H17    48     1.08927   117.42618     0.35054
   61    53 S   CT   _C30   105     1.50825   116.43188   -89.03349
   62    61 S   HC   _H34   106     1.09479   110.13432   -71.92891
   63    61 S   HC   _H35   107     1.09062   113.58143   167.56367
   64    61 S   HC   _H36   108     1.09313   111.24662    47.99207
   65    54 S   CO4  _C29   110     1.36145   117.58692  -148.73115
   66    65 S   O    _O39   111     1.22501   125.79859    -0.49772
   67    59 S   CT   _C9_    49     1.51346   127.66217   179.01127
   68    67 S   HC   _H6_    50     1.09600   108.16247   -19.62768
   69    65 S   N    _N5_   112     1.36861   110.10152   179.59555
   70    69 S   H    _H32   113     1.01324   121.03294   179.88636
   71    69 S   H    _H33   114     1.01328   121.02355     0.08393
   72    67 S   CT   _C8_    51     1.55594   115.02557    99.33484
   73    72 S   HC   _H5_    52     1.09847   106.02840  -175.41747
   74    67 S   CT   _C31   101     1.53299   109.67713  -133.63061
   75    74 S   HC   _H37   102     1.09301   112.21418   -60.13296
   76    74 S   HC   _H38   103     1.09523   110.78914   179.01424
   77    74 S   HC   _H39   104     1.09616   110.67378    59.79181
   78    72 S   CT   _C7_    53     1.55715   117.84702    65.14511
   79    78 S   HC   _H4_    54     1.09246   109.63506    43.74969
   80    72 S   OS   _O40    96     1.43888   109.38475   -59.48471
   81    78 S   CT   _C6_    55     1.54471   114.59241   -79.82155
   82    81 S   HC   _H15    56     1.09219   109.52051    60.64351
   83    81 S   HC   _H16    57     1.09762   109.34776   -55.00768
   84    78 S   OS   _O41    91     1.43995   107.25458   161.56057
   85    80 S   CT   _C32    97     1.42113   113.25788   -95.79219
   86    85 S   HC   _H40    98     1.09317   108.28566   175.94730
   87    85 S   HC   _H41    99     1.09360   111.09695    56.66825
   88    85 S   HC   _H42   100     1.09426   110.12814   -65.54484
   89    81 S   CT   _C5_    58     1.55400   117.26588  -177.01463
   90    89 S   HC   _H3_    59     1.09880   105.82624  -171.99943
   91    84 S   CT   _C33    92     1.42235   113.44137   -89.77271
   92    91 S   HC   _H43    93     1.09327   108.16313   178.29682
   93    91 S   HC   _H44    94     1.09305   111.40915    59.10834
   94    91 S   HC   _H45    95     1.09407   110.28069   -63.33254
   95    89 S   CT   _C24    60     1.55556   114.98686   -52.57091
   96    95 S   HC   _H11    61     1.09793   107.47701    67.01481
   97    89 S   CT   _C4_    87     1.53795   112.15569    74.93298
   98    97 S   HC   _H12    88     1.09348   112.09975   -78.76224
   99    97 S   HC   _H13    89     1.09569   110.54401   161.81250
  100    97 S   HC   _H14    90     1.09487   111.20297    42.96966
  101    95 S   CM   _C23    62     1.51583   113.71436   -55.14131
  102    95 S   OS   _O34    82     1.43857   108.06674  -176.71664
  103   101 S   CM   _C22    63     1.34154   122.34191   117.99582
  104   103 S   HC   _H21    64     1.08724   119.83259    -0.20077
  105   102 S   CT   _C25    83     1.42203   113.40089  -153.85089
  106   105 S   HC   _H22    84     1.09335   108.16813   179.63150
  107   105 S   HC   _H23    85     1.09418   110.46309    61.08665
  108   105 S   HC   _H24    86     1.09363   111.03782   -61.53341
  109   103 S   CM   _C21    65     1.43644   123.81874  -179.75531
  110   109 S   CM   _C20    66     1.33548   122.83934     1.25523
  111   110 S   HC   _H20    67     1.08399   122.32463   178.95920
  112   109 S   OH   _O36    80     1.37658   114.27792  -179.66662
  113   112 S   HO   _H25    81     0.97287   108.36413  -179.38071
  114   110 S   CD   _C19    68     1.48354   119.74554    -0.68041
  115   101 S   CO4  _C26    69     1.49292   119.62394   -63.84541
  116   115 S   O    _O35    70     1.21988   121.35600    -3.85194
  117   114 S   NI   _N4_    71     1.30032   117.29950   176.24094
  118   117 S   C    _C18    72     1.37292   122.73182   178.44392
  119   118 S   O    _O33    73     1.22809   124.64802   -66.20425
  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   9   5   4   3
  15   7   2   1   1  11   4  10   7   9   4   6   3   2   1  13
   6  15   6   6  12   7   3   2   1   1  15   5   4   2   1   1
   4   3  13   8   2   1   1  18   7   5   2   1   1  15   7   6
  14   6   5   5   3   2   1   1  12   8   3   2   1   1  17   6
   5   2   1   1  11   6   9   4   3   2   1   1   7   8   4   2
   1   5   3   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42   118    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48   117   118   119    40    41    44    45    46    47  
   38    39    42   118    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    49    50   118    40    41    44    52  
   42    43    48    40  
   41    44    45    46    47    42   114   117   118   119  
   44    45    46    47   117   118   119  
   43    48    49    50    51    53    54    52    55  
   48    49    50    52  
   45    46    47   117   118   119  
   46    47   118  
   47   118  
  118  
   49    50    51    53    59    61    54    65    52    55    56    57    58  
   50    51    53    54    52    55  
   51    53    59    60    67    61    62    63    64    54    65    66    69    52    55  
   53    59    61    54    65    52  
   55    56    57    58    53    54  
   59    60    67    68    72    74    61    62    63    64    54    65  
   65    66    69    70    71    59    61  
   56    57    58  
   57    58  
   58  
    0  
   60    67    68    72    73    78    80    74    75    76    77    61    62    63    64  
   67    68    72    74    61  
   62    63    64    67  
   63    64  
   64  
    0  
   66    69    70    71  
   69    70    71  
   68    72    73    78    79    81    84    80    85    74    75    76    77  
   72    73    78    80    74    75    76    77  
   70    71  
   71  
    0  
   73    78    79    81    82    83    89    84    91    80    85    86    87    88    74    75    76    77  
   78    79    81    84    80    85    74  
   75    76    77    78    80  
   76    77  
   77  
    0  
   79    81    82    83    89    90    95    97    84    91    92    93    94    80    85  
   81    82    83    89    84    91    80  
   85    86    87    88    81    84  
   82    83    89    90    95    96   101   102    97    98    99   100    84    91  
   83    89    90    95    97    84  
   89    90    95    97    84  
   91    92    93    94    89  
   86    87    88  
   87    88  
   88  
    0  
   90    95    96   101   103   115   102   105    97    98    99   100  
   95    96   101   102    97    98    99   100  
   92    93    94  
   93    94  
   94  
    0  
   96   101   103   104   109   114   115   116   102   105   106   107   108    97    98    99   100  
  101   103   115   102   105    97  
   98    99   100   101   102  
   99   100  
  100  
    0  
  103   104   109   110   114   115   116   117   112   102   105  
  105   106   107   108   103   115  
  104   109   110   111   114   115   116   112   113  
  109   110   115   112  
  106   107   108  
  107   108  
  108  
    0  
  110   111   114   115   117   112   113  
  111   114   115   116   117   118   112   113  
  114   115   117   112  
  113   114  
    0  
  115   116   117   118   119  
  116   117   118  
  117  
  118   119  
  119  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   70   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   71   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
  102   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
  103   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  104   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
  110   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
  111   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  112   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
  113   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
  114   3.7500   0.1050   0.393000   2.0020   1.7750   0.023028004  -0.852763146
  115   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  116   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  117   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
  118   3.7500   0.1050   0.345000   2.1120   1.8750   0.001000000  -0.126889456
  119   2.9600   0.2100  -0.222500   1.6780   1.4800   0.001000000  -0.126889456
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    48   317.000  1.510
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    52   320.000  1.410
   50    51   340.000  1.090
   50    53   317.000  1.510
   50    54   320.000  1.410
   53    59   549.000  1.340
   53    61   317.000  1.510
   59    60   340.000  1.080
   59    67   317.000  1.510
   67    68   340.000  1.090
   67    72   268.000  1.529
   67    74   268.000  1.529
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    80   320.000  1.410
   78    79   340.000  1.090
   78    81   268.000  1.529
   78    84   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    89   268.000  1.529
   89    90   340.000  1.090
   89    95   268.000  1.529
   89    97   268.000  1.529
   95    96   340.000  1.090
   95   101   317.000  1.510
   95   102   320.000  1.410
  101   103   549.000  1.340
  101   115   320.000  1.462
  103   104   340.000  1.080
  103   109   380.000  1.444
  109   110   549.000  1.340
  109   112   510.000  1.338
  110   111   340.000  1.080
  110   114   320.000  1.464
  114   115   275.000  1.494
  114   117   500.000  1.261
  115   116   570.000  1.229
  117   118   415.000  1.368
  118   119   570.000  1.229
  118    40   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
  112   113   553.000  0.945
  102   105   320.000  1.410
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   84    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   80    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   54    65   214.000  1.327
   65    66   570.000  1.229
   65    69   435.000  1.380
   69    70   434.000  1.010
   69    71   434.000  1.010
   52    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40   118    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    48    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    48    49    35.00000  109.50000
   42    48    50    70.00000  112.02700
   42    48    52    85.00000  110.90400
   48    42    43    35.00000  117.00000
   48    50    51    37.50000  110.70000
   48    50    53    70.00000  112.02700
   48    50    54    50.00000  109.50000
   48    52    55    60.00000  109.50000
   50    48    49    37.50000  110.70000
   50    53    59    70.00000  124.00000
   50    53    61    65.00000  117.92700
   50    54    65    83.00000  116.90000
   53    50    51    35.00000  109.50000
   53    59    60    35.00000  120.00000
   53    59    67    70.00000  124.00000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    64    35.00000  109.50000
   59    67    68    35.00000  109.50000
   59    67    72    70.00000  112.02700
   59    67    74    70.00000  112.02700
   67    59    60    35.00000  117.00000
   67    72    73    37.50000  110.70000
   67    72    78    58.35000  112.70000
   67    72    80    50.00000  109.50000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    37.50000  110.70000
   72    67    68    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    81    58.35000  112.70000
   72    78    84    50.00000  109.50000
   72    80    85    60.00000  109.50000
   78    72    73    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    89    58.35000  112.70000
   78    84    91    60.00000  109.50000
   81    78    79    37.50000  110.70000
   81    89    90    37.50000  110.70000
   81    89    95    58.35000  112.70000
   81    89    97    58.35000  112.70000
   83    81    82    33.00000  107.80000
   89    81    82    37.50000  110.70000
   89    81    83    37.50000  110.70000
   89    95    96    37.50000  110.70000
   89    95   101    70.00000  112.02700
   89    95   102    50.00000  109.50000
   89    97    98    37.50000  110.70000
   89    97    99    37.50000  110.70000
   89    97   100    37.50000  110.70000
   95    89    90    37.50000  110.70000
   95   101   103    70.00000  124.00000
   95   101   115    65.00000  116.34900
   95   102   105    60.00000  109.50000
  101    95    96    35.00000  109.50000
  101   103   104    35.00000  120.00000
  101   103   109    70.00000  123.01800
  101   115   114    65.00000  118.65900
  101   115   116    80.00000  123.72100
  103   109   110    70.00000  123.01800
  103   109   112    80.00000  121.38400
  109   103   104    35.00000  120.00000
  109   110   111    35.00000  120.00000
  109   110   114    60.00000  120.31500
  109   112   113    70.00000  107.45700
  110   114   115    65.00000  118.96000
  110   114   117    70.00000  121.86000
  114   110   111    40.00000  114.85300
  114   115   116    75.00000  122.07900
  114   117   118    80.00000  110.69000
  115   101   103    65.00000  118.96000
  117   114   115    60.00000  126.98800
  117   118   119    80.00000  126.08800
  117   118    40    80.00000  113.45100
  118    40    41    35.00000  109.50000
  118    40    44    63.00000  111.10000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40   118   119    80.00000  120.40000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
  112   109   110    80.00000  121.38400
  102    95    96    35.00000  109.50000
  102    95   101    85.00000  110.90400
  102   105   106    35.00000  109.50000
  102   105   107    35.00000  109.50000
  102   105   108    35.00000  109.50000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   97    89    90    37.50000  110.70000
   97    89    95    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   84    78    79    35.00000  109.50000
   84    78    81    50.00000  109.50000
   84    91    92    35.00000  109.50000
   84    91    93    35.00000  109.50000
   84    91    94    35.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   80    72    73    35.00000  109.50000
   80    72    78    50.00000  109.50000
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    72    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   61    53    59    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   54    50    51    35.00000  109.50000
   54    50    53    85.00000  110.90400
   54    65    66    83.00000  123.40000
   54    65    69   110.00000  108.75700
   65    69    70    50.00000  116.34900
   65    69    71    50.00000  116.34900
   69    65    66    85.00000  125.96000
   71    69    70    35.00000  120.00000
   52    48    49    35.00000  109.50000
   52    48    50    50.00000  109.50000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40   118   0.56750  1.0 1.0
   29    33    40   118  -0.07550 -1.0 2.0
   29    33    40   118   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40   118  -0.11250  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40   118  -0.98800  1.0 1.0
   38    33    40   118   0.48800 -1.0 2.0
   38    33    40   118   0.76800  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.09850  1.0 1.0
   38    42    48    50   0.15250 -1.0 2.0
   38    42    48    50  -0.50650  1.0 3.0
   38    42    48    52   0.39000  1.0 1.0
   38    42    48    52  -0.05800 -1.0 2.0
   38    42    48    52  -0.55150  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    48   7.00000 -1.0 2.0
   42    48    50    51   0.15000  1.0 3.0
   42    48    50    53   0.31000  1.0 1.0
   42    48    50    53   0.14700 -1.0 2.0
   42    48    50    53   0.07550  1.0 3.0
   42    48    50    54   0.61850  1.0 1.0
   42    48    50    54  -0.22750 -1.0 2.0
   42    48    50    54   0.15300  1.0 3.0
   42    48    52    55  -0.77900  1.0 1.0
   42    48    52    55  -0.36900 -1.0 2.0
   42    48    52    55   0.40400  1.0 3.0
   43    42    48    49   0.33100  1.0 3.0
   43    42    48    50   0.00000  1.0 1.0
   43    42    48    52   0.00000  1.0 1.0
   48    50    53    59   0.09850  1.0 1.0
   48    50    53    59   0.15250 -1.0 2.0
   48    50    53    59  -0.50650  1.0 3.0
   48    50    53    61   0.46850  1.0 1.0
   48    50    53    61   0.08550 -1.0 2.0
   48    50    53    61   0.09800  1.0 3.0
   48    50    54    65  -0.25900  1.0 1.0
   48    50    54    65  -0.47000 -1.0 2.0
   48    50    54    65   0.11750  1.0 3.0
   48    52    55    56   0.37050  1.0 3.0
   48    52    55    57   0.37050  1.0 3.0
   48    52    55    58   0.37050  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    50    54   0.23400  1.0 3.0
   49    48    52    55   0.37050  1.0 3.0
   50    48    52    55   0.06250  1.0 1.0
   50    48    52    55  -0.01100 -1.0 2.0
   50    48    52    55   0.28050  1.0 3.0
   50    53    59    60   7.00000 -1.0 2.0
   50    53    59    67   7.00000 -1.0 2.0
   50    53    61    62   0.34800  1.0 3.0
   50    53    61    63   0.34800  1.0 3.0
   50    53    61    64   0.34800  1.0 3.0
   50    54    65    66   3.00000 -1.0 2.0
   50    54    65    69  -0.80800  1.0 1.0
   50    54    65    69   2.06850 -1.0 2.0
   51    50    53    59   0.00000  1.0 1.0
   51    50    53    61   0.34800  1.0 3.0
   51    50    54    65   0.08050  1.0 3.0
   53    50    54    65  -0.82050  1.0 1.0
   53    50    54    65   0.00600 -1.0 2.0
   53    50    54    65   0.04400  1.0 3.0
   53    59    67    68   0.00000  1.0 1.0
   53    59    67    72   0.09850  1.0 1.0
   53    59    67    72   0.15250 -1.0 2.0
   53    59    67    72  -0.50650  1.0 3.0
   53    59    67    74   0.09850  1.0 1.0
   53    59    67    74   0.15250 -1.0 2.0
   53    59    67    74  -0.50650  1.0 3.0
   59    53    61    62   0.00000  1.0 1.0
   59    53    61    63   0.00000  1.0 1.0
   59    53    61    64   0.00000  1.0 1.0
   59    67    72    73   0.15000  1.0 3.0
   59    67    72    78   0.34400  1.0 1.0
   59    67    72    78   0.09450 -1.0 2.0
   59    67    72    78   0.11100  1.0 3.0
   59    67    72    80   0.61850  1.0 1.0
   59    67    72    80  -0.22750 -1.0 2.0
   59    67    72    80   0.15300  1.0 3.0
   59    67    74    75   0.15000  1.0 3.0
   59    67    74    76   0.15000  1.0 3.0
   59    67    74    77   0.15000  1.0 3.0
   60    59    67    68   0.33100  1.0 3.0
   60    59    67    72   0.00000  1.0 1.0
   60    59    67    74   0.00000  1.0 1.0
   67    72    78    79   0.15000  1.0 3.0
   67    72    78    81   0.56750  1.0 1.0
   67    72    78    81  -0.07550 -1.0 2.0
   67    72    78    81   0.20000  1.0 3.0
   67    72    78    84   0.62750  1.0 1.0
   67    72    78    84  -0.30950 -1.0 2.0
   67    72    78    84   0.27300  1.0 3.0
   67    72    80    85   0.06250  1.0 1.0
   67    72    80    85  -0.01100 -1.0 2.0
   67    72    80    85   0.28050  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    78   0.15000  1.0 3.0
   68    67    72    80   0.23400  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   72    67    74    75   0.15000  1.0 3.0
   72    67    74    76   0.15000  1.0 3.0
   72    67    74    77   0.15000  1.0 3.0
   72    78    81    82   0.15000  1.0 3.0
   72    78    81    83   0.15000  1.0 3.0
   72    78    81    89   0.56750  1.0 1.0
   72    78    81    89  -0.07550 -1.0 2.0
   72    78    81    89   0.20000  1.0 3.0
   72    78    84    91   0.06250  1.0 1.0
   72    78    84    91  -0.01100 -1.0 2.0
   72    78    84    91   0.28050  1.0 3.0
   72    80    85    86   0.37050  1.0 3.0
   72    80    85    87   0.37050  1.0 3.0
   72    80    85    88   0.37050  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    81   0.15000  1.0 3.0
   73    72    78    84   0.23400  1.0 3.0
   73    72    80    85   0.37050  1.0 3.0
   78    72    80    85   0.06250  1.0 1.0
   78    72    80    85  -0.01100 -1.0 2.0
   78    72    80    85   0.28050  1.0 3.0
   78    81    89    90   0.15000  1.0 3.0
   78    81    89    95   0.56750  1.0 1.0
   78    81    89    95  -0.07550 -1.0 2.0
   78    81    89    95   0.20000  1.0 3.0
   78    81    89    97   0.56750  1.0 1.0
   78    81    89    97  -0.07550 -1.0 2.0
   78    81    89    97   0.20000  1.0 3.0
   78    84    91    92   0.37050  1.0 3.0
   78    84    91    93   0.37050  1.0 3.0
   78    84    91    94   0.37050  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    89   0.15000  1.0 3.0
   79    78    84    91   0.37050  1.0 3.0
   81    78    84    91   0.06250  1.0 1.0
   81    78    84    91  -0.01100 -1.0 2.0
   81    78    84    91   0.28050  1.0 3.0
   81    89    95    96   0.15000  1.0 3.0
   81    89    95   101   0.34400  1.0 1.0
   81    89    95   101   0.09450 -1.0 2.0
   81    89    95   101   0.11100  1.0 3.0
   81    89    95   102   0.62750  1.0 1.0
   81    89    95   102  -0.30950 -1.0 2.0
   81    89    95   102   0.27300  1.0 3.0
   81    89    97    98   0.15000  1.0 3.0
   81    89    97    99   0.15000  1.0 3.0
   81    89    97   100   0.15000  1.0 3.0
   82    81    89    90   0.15000  1.0 3.0
   82    81    89    95   0.15000  1.0 3.0
   82    81    89    97   0.15000  1.0 3.0
   83    81    89    90   0.15000  1.0 3.0
   83    81    89    95   0.15000  1.0 3.0
   83    81    89    97   0.15000  1.0 3.0
   89    95   101   103   0.09850  1.0 1.0
   89    95   101   103   0.15250 -1.0 2.0
   89    95   101   103  -0.50650  1.0 3.0
   89    95   101   115   0.09700  1.0 1.0
   89    95   101   115   0.15600 -1.0 2.0
   89    95   101   115  -0.50800  1.0 3.0
   89    95   102   105   0.06250  1.0 1.0
   89    95   102   105  -0.01100 -1.0 2.0
   89    95   102   105   0.28050  1.0 3.0
   90    89    95    96   0.15000  1.0 3.0
   90    89    95   101   0.15000  1.0 3.0
   90    89    95   102   0.23400  1.0 3.0
   90    89    97    98   0.15000  1.0 3.0
   90    89    97    99   0.15000  1.0 3.0
   90    89    97   100   0.15000  1.0 3.0
   95    89    97    98   0.15000  1.0 3.0
   95    89    97    99   0.15000  1.0 3.0
   95    89    97   100   0.15000  1.0 3.0
   95   101   103   104   7.00000 -1.0 2.0
   95   101   103   109   7.00000 -1.0 2.0
   95   101   115   114   1.50000 -1.0 2.0
   95   101   115   116  -0.64400  1.0 1.0
   95   101   115   116   0.26850 -1.0 2.0
   95   102   105   106   0.37050  1.0 3.0
   95   102   105   107   0.37050  1.0 3.0
   95   102   105   108   0.37050  1.0 3.0
   96    95   101   103   0.00000  1.0 1.0
   96    95   101   115   0.15000  1.0 3.0
   96    95   102   105   0.37050  1.0 3.0
  101    95   102   105  -0.77900  1.0 1.0
  101    95   102   105  -0.36900 -1.0 2.0
  101    95   102   105   0.40400  1.0 3.0
  101   103   109   110   0.28850  1.0 1.0
  101   103   109   110   2.61350 -1.0 2.0
  101   103   109   110   0.78400  1.0 3.0
  101   103   109   112   0.50950  1.0 1.0
  101   103   109   112   0.56650 -1.0 2.0
  101   103   109   112   0.34050  1.0 3.0
  103   101   115   114  -1.18350  1.0 1.0
  103   101   115   114   1.45950 -1.0 2.0
  103   101   115   116   1.00000 -1.0 2.0
  103   109   110   111   7.00000 -1.0 2.0
  103   109  -110   114   7.00000 -1.0 2.0
  103   109   112   113  -0.66100  1.0 1.0
  103   109   112   113   1.20850 -1.0 2.0
  103   109   112   113  -0.36000  1.0 3.0
  104   103   109   110  -0.18600  1.0 3.0
  104   103   109   112   0.00000  1.0 1.0
  109   110   114   115   0.69550 -1.0 2.0
  109   110   114   117   1.09650  1.0 1.0
  109   110   114   117   0.48950 -1.0 2.0
  109   110   114   117   0.49400  1.0 3.0
  110   109   112   113  -0.66100  1.0 1.0
  110   109   112   113   1.20850 -1.0 2.0
  110   109   112   113  -0.36000  1.0 3.0
  110   114  -115   101  -1.18350  1.0 1.0
  110   114  -115   101   1.45950 -1.0 2.0
  110   114   115   116   1.00000 -1.0 2.0
  110   114   117   118   6.00000 -1.0 2.0
  111   110   114   115   0.00000  1.0 1.0
  111   110   114   117   1.00600 -1.0 2.0
  114   117   118   119   3.09300 -1.0 2.0
  114   117   118    40   1.50000 -1.0 2.0
  115   101   103   104   7.00000 -1.0 2.0
  115   101  -103   109   7.00000 -1.0 2.0
  115   114   117   118   6.00000 -1.0 2.0
  117   114   115   101   1.50000 -1.0 2.0
  117   114   115   116   1.00000 -1.0 2.0
  117   118    40    33   0.00000  1.0 1.0
  117   118    40    41   0.00000  1.0 1.0
  117   118    40    44   0.00000  1.0 1.0
  118    40    44    45  -0.11250  1.0 3.0
  118    40    44    46  -0.11250  1.0 3.0
  118    40    44    47  -0.11250  1.0 3.0
  119   118    40    33   0.30150 -1.0 2.0
  119   118    40    41   0.00000  1.0 1.0
  119   118    40    44   0.30150 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
  112   109   110   111   7.00000 -1.0 2.0
  112   109   110   114   7.00000 -1.0 2.0
  102    95   101   103   0.39000  1.0 1.0
  102    95   101   103  -0.05800 -1.0 2.0
  102    95   101   103  -0.55150  1.0 3.0
  102    95   101   115   0.09700  1.0 1.0
  102    95   101   115   0.15600 -1.0 2.0
  102    95   101   115  -0.50800  1.0 3.0
   97    89    95    96   0.15000  1.0 3.0
   97    89    95   101   0.34400  1.0 1.0
   97    89    95   101   0.09450 -1.0 2.0
   97    89    95   101   0.11100  1.0 3.0
   97    89    95   102   0.62750  1.0 1.0
   97    89    95   102  -0.30950 -1.0 2.0
   97    89    95   102   0.27300  1.0 3.0
   84    78    81    82   0.23400  1.0 3.0
   84    78    81    83   0.23400  1.0 3.0
   84    78    81    89   0.62750  1.0 1.0
   84    78    81    89  -0.30950 -1.0 2.0
   84    78    81    89   0.27300  1.0 3.0
   80    72    78    79   0.23400  1.0 3.0
   80    72    78    81   0.62750  1.0 1.0
   80    72    78    81  -0.30950 -1.0 2.0
   80    72    78    81   0.27300  1.0 3.0
   80    72    78    84   1.11900  1.0 1.0
   80    72    78    84  -1.16350 -1.0 2.0
   80    72    78    84  -0.34150  1.0 3.0
   74    67    72    73   0.15000  1.0 3.0
   74    67    72    78   0.56750  1.0 1.0
   74    67    72    78  -0.07550 -1.0 2.0
   74    67    72    78   0.20000  1.0 3.0
   74    67    72    80   0.62750  1.0 1.0
   74    67    72    80  -0.30950 -1.0 2.0
   74    67    72    80   0.27300  1.0 3.0
   61    53    59    60   7.00000 -1.0 2.0
   61    53    59    67   7.00000 -1.0 2.0
   54    50    53    59   0.39000  1.0 1.0
   54    50    53    59  -0.05800 -1.0 2.0
   54    50    53    59  -0.55150  1.0 3.0
   54    50    53    61   0.09700  1.0 1.0
   54    50    53    61   0.15600 -1.0 2.0
   54    50    53    61  -0.50800  1.0 3.0
   54    65    69    70   2.56700 -1.0 2.0
   54    65    69    71   2.56700 -1.0 2.0
   66    65    69    70   2.45000 -1.0 2.0
   66    65    69    71   2.45000 -1.0 2.0
   52    48    50    51   0.23400  1.0 3.0
   52    48    50    53   0.61850  1.0 1.0
   52    48    50    53  -0.22750 -1.0 2.0
   52    48    50    53   0.15300  1.0 3.0
   52    48    50    54   1.11900  1.0 1.0
   52    48    50    54  -1.16350 -1.0 2.0
   52    48    50    54  -0.34150  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   48    43    42    38   1.10000 -1.0 2.0
   50    61    53    59   1.10000 -1.0 2.0
   67    60    59    53   1.10000 -1.0 2.0
   95   115   101   103   1.10000 -1.0 2.0
  109   104   103   101   1.10000 -1.0 2.0
  103   112   109   110   1.10000 -1.0 2.0
  114   111   110   109   1.10000 -1.0 2.0
  110   115   114   117  10.50000 -1.0 2.0
  101   114   115   116  10.50000 -1.0 2.0
  117    40   118   119  10.50000 -1.0 2.0
   54    69    65    66  10.50000 -1.0 2.0
   71    65    69    70   1.00000 -1.0 2.0
END
