* LIGAND DATABASE FILE (OPLS2005)
*
001     109   111    200    304     584
    1     0 S   NP   _N1_     1    28.92561    92.88495   -18.97433
    2     1 S   H    _HN1     2     1.02962   104.77957    38.88635
    3     1 S   H    _H1_     3     1.02829    25.87607   137.53330
    4     1 S   H    _H2_     4     1.02772    84.79070   -68.74169
    5     1 S   CT   _CA1     5     1.50164   132.46904   175.64886
    6     5 S   HC   _HA1     6     1.09576   105.18784    42.43539
    7     5 S   CO3  _C1_     7     1.53775   112.33689   -77.62108
    8     7 S   O2Z  _O11     8     1.26359   115.01347   -42.26087
    9     7 S   O2Z  _O12     9     1.26259   114.92678   136.75033
   10     5 S   CT   _CB1    10     1.53080   107.36123   160.26637
   11    10 S   HC   HB11    11     1.09817   109.21671   -50.31566
   12    10 S   HC   HB12    12     1.09825   110.42763    66.18619
   13    10 S   CT   _CG1    13     1.53013   112.80312  -171.51460
   14    13 S   HC   HG11    14     1.09561   110.28716   -63.65409
   15    13 S   HC   HG12    15     1.09637   110.15602    55.45230
   16    13 S   C    _CD1    16     1.51886   112.16447   175.39062
   17    16 S   O    _OE1    17     1.22750   123.16378   -12.15683
   18    16 S   N    _N2_    18     1.38606   111.78956   168.90770
   19    18 S   H    _HN2    19     1.01578   118.95194     0.19281
   20    18 S   CT1  _CA2    20     1.46316   123.44036  -178.81452
   21    20 S   HC   _HA2    21     1.09733   109.36706   -15.42968
   22    20 S   C    _C2_    22     1.53413   108.22524  -131.12231
   23    22 S   O    _O2_    23     1.23009   122.26827  -145.90291
   24    20 S   CT   _CB2    32     1.53508   111.28158   106.78915
   25    24 S   HC   HB21    33     1.09317   109.25913    54.82434
   26    24 S   HC   HB22    34     1.09504   110.78452   173.12551
   27    22 S   N    _N3_    24     1.38516   113.31967    41.44634
   28    27 S   H    _HN3    25     1.01539   118.88002    -0.68557
   29    24 S   S    _SG2    35     1.82735   111.45901   -67.70846
   30    27 S   CT   _CA3    26     1.45453   123.52892   175.14635
   31    30 S   HC   HA31    27     1.09518   109.33048    22.47576
   32    30 S   HC   HA32    28     1.09499   107.09906   139.49714
   33    29 S   CT   _C25    36     1.84825   100.83807   153.19476
   34    33 S   HC   _H3_    37     1.09402   102.42038    50.00358
   35    30 S   CO3  _C3_    29     1.52920   113.05049  -101.06323
   36    35 S   O2Z  _O31    30     1.26409   115.38377   -44.87746
   37    35 S   O2Z  _O32    31     1.26353   114.99635   136.04175
   38    33 S   CT   _C21    38     1.54184   115.04250   -65.12377
   39    38 S   HC   _H53    39     1.09656   109.15529  -172.84791
   40    38 S   HC   _H54    40     1.09748   108.97285    73.06937
   41    33 S   CT   _C24    88     1.56206   110.01268   163.29467
   42    41 S   HC   _H58    89     1.09972   107.88348   -44.27462
   43    38 S   C    _C16    41     1.52544   119.02490   -48.44167
   44    43 S   O    _O36    42     1.22624   124.50378    12.16886
   45    41 S   CT   _C28    90     1.54093   113.26489    71.79726
   46    45 S   HC   _H64    91     1.09448   111.51944    70.61319
   47    45 S   HC   _H65    92     1.09346   111.92255   -51.27362
   48    45 S   HC   _H66    93     1.09526   110.88015  -169.84144
   49    43 S   N    _N30    43     1.38879   111.59532  -169.30982
   50    49 S   H    _H74    44     1.01485   119.58009     2.38934
   51    49 S   CT   _C19    45     1.45055   122.65832  -176.99587
   52    51 S   HC   _H49    46     1.09453   107.55385   158.91003
   53    51 S   HC   _H50    47     1.09387   109.16773    41.41317
   54    51 S   CM   _C8_    48     1.49663   109.15891   -78.97295
   55    54 S   HC   _H42    49     1.08685   115.43251    71.44180
   56    54 S   CM   _C7_    50     1.34247   123.86418  -109.51636
   57    56 S   HC   _H41    51     1.08925   117.56963     0.77329
   58    56 S   CM   _C12    52     1.46342   126.38636   179.67736
   59    58 S   CM   _C9_    53     1.34980   118.45892  -175.16941
   60    59 S   HC   _H43    54     1.09091   118.32007    -0.21580
   61    58 S   CT   _C27   106     1.50726   117.57249     3.44571
   62    61 S   HC   _H61   107     1.09570   110.45047    61.32604
   63    61 S   HC   _H62   108     1.09562   110.62114   -59.08015
   64    61 S   HC   _H63   109     1.09167   113.67996  -178.63929
   65    59 S   CT   _C23    55     1.50450   128.04530   178.23475
   66    65 S   HC   _H57    56     1.09290   111.95490    20.62277
   67    65 S   CT   _C20    57     1.52834   111.57054  -104.13460
   68    67 S   HC   _H51    58     1.09686   111.45764   -50.62425
   69    67 S   HC   _H52    59     1.09714   110.58560  -167.38380
   70    65 S   OH   _O39   104     1.42895   107.22924   137.00247
   71    70 S   HO   _H75   105     0.97252   107.48353  -175.82956
   72    67 S   CO4  _C15    60     1.51730   111.67929    72.79790
   73    72 S   O    _O35    61     1.23134   120.23735    72.88251
   74    72 S   CT   _C17    62     1.51713   116.37925  -106.45317
   75    74 S   HC   _H45    63     1.09352   109.40108    54.84570
   76    74 S   HC   _H46    64     1.09487   108.19682   -63.23538
   77    74 S   CRA  _C6_    65     1.47854   111.01499   176.19214
   78    77 S   N5B  _N29    66     1.31607   128.46812   102.54531
   79    78 S   C5B  _C5_    67     1.37934   103.97322   178.37695
   80    79 S   C5A  _C4_    68     1.37755   109.12119     2.26391
   81    80 S   HA   _H40    69     1.07975   135.45582   177.05882
   82    79 S   C    _C11    71     1.44982   121.54563   177.27775
   83    82 S   O    _O33    72     1.23289   118.85526   -34.04012
   84    77 S   OA   _O37    70     1.36768   116.91631   -77.98243
   85    82 S   N    _N31    73     1.39639   119.72112   149.77873
   86    85 S   CM   _C13    74     1.38325   132.36255   -26.50038
   87    86 S   CM   _C10    75     1.34221   111.10383   176.19677
   88    87 S   HC   _H44    76     1.08100   125.99545   176.97793
   89    86 S   CO4  _C14    83     1.48006   126.51224   -11.50720
   90    89 S   O    _O34    84     1.22091   124.35557   -23.25872
   91    87 S   CT   _C18    77     1.49309   111.32798    -0.87178
   92    91 S   HC   _H47    78     1.09366   112.16359   127.39557
   93    91 S   HC   _H48    79     1.09456   110.52962  -110.76136
   94    89 S   OS   _O38    85     1.35994   109.38127   157.92842
   95    85 S   CT   _C22    80     1.47144   119.06481   157.24220
   96    95 S   HC   _H55    81     1.09674   108.31137    69.19800
   97    95 S   HC   _H56    82     1.09552   110.06420   -49.09719
   98    94 S   CT   _C26    86     1.45482   119.51841  -178.68196
   99    98 S   HC   _H60    87     1.09709   109.33247    20.69841
  100    98 S   CT   _C31    94     1.55448   108.88616   -98.14137
  101   100 S   HC   _H73    95     1.09564   108.66631  -179.83214
  102   100 S   CT   _C29    96     1.53236   112.99721   -59.66920
  103   102 S   HC   _H67    97     1.09490   111.59978    59.61889
  104   102 S   HC   _H68    98     1.09374   111.54307   -61.49958
  105   102 S   HC   _H69    99     1.09564   110.57925   179.47103
  106   100 S   CT   _C30   100     1.53351   111.98285    63.63500
  107   106 S   HC   _H70   101     1.09440   111.98213   -68.22539
  108   106 S   HC   _H71   102     1.09576   110.40357   172.21618
  109   106 S   HC   _H72   103     1.09477   110.87963    53.27908
  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  10   5   4   3
  17   8   2   1   1  11   5   4  14   8   7   3   7   3   2   1
   7   4   7   4   3   6   3   9   3  10  13   5   4   2   1   1
   9   6  10   5   4   2   1   7   4   7   4   3   6   7   8   5
   2  10   3   1  12  12  10   5   7   2   5   4   3   6   2   1
   1  11   4   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    98    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    49    94    98    99    41    42    45    46    47    48   100  
   38    39    40    43    98    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    49    50    51    98    41    42    45  
   40    43    44    49    41  
   43    44    49    41  
   42    45    46    47    48   100   101   102   106    43    89    94    98    99  
   45    46    47    48   100    94    98    99  
   44    49    50    51    52    53    54  
   49    50    51  
   46    47    48   100    94    98    99  
   47    48    98  
   48    98  
   98  
   50    51    52    53    54    55    56  
   51    52    53    54  
   52    53    54    55    56    57    58  
   53    54    55    56  
   54    55    56  
   55    56    57    58    59    61  
   56    57    58  
   57    58    59    60    65    61    62    63    64  
   58    59    61  
   59    60    65    66    67    70    61    62    63    64  
   60    65    66    67    68    69    72    70    71    61    62    63    64  
   65    66    67    70    61  
   62    63    64    65  
   63    64  
   64  
    0  
   66    67    68    69    72    73    74    70    71  
   67    68    69    72    70    71  
   68    69    72    73    74    75    76    77    70    71  
   69    72    73    74    70  
   72    73    74    70  
   71    72  
    0  
   73    74    75    76    77    78    84  
   74    75    76    77  
   75    76    77    78    79    80    84  
   76    77    78    84  
   77    78    84  
   78    79    80    81    84    82  
   79    80    81    84    82    83    85  
   80    81    84    82    83    85    86    95  
   81    84    82    83    85  
   84    82  
   83    85    86    87    91    95    96    97    89    84  
   85    86    95  
    0  
   86    87    88    91    92    93    95    96    97    89    90    94  
   87    88    91    92    93    95    96    97    89    90    94    98  
   88    91    92    93    95    96    97    89    90    94  
   91    92    93    95    89  
   90    94    98    99   100    91    95  
   94    98  
   92    93    95    96    97  
   93    95    96    97  
   95    96    97  
   98    99   100   101   102   106  
   96    97  
   97  
    0  
   99   100   101   102   103   104   105   106   107   108   109  
  100   101   102   106  
  101   102   103   104   105   106   107   108   109  
  102   103   104   105   106   107   108   109  
  103   104   105   106   107   108   109  
  104   105   106  
  105   106  
  106  
  107   108   109  
  108   109  
  109  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   45   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.005000   2.4950   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5500   0.0700   0.439000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.2500   0.1700  -0.590000   1.8650   1.6500   0.001000000  -0.511443539
   79   3.5500   0.0700   0.145000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.148000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.181000   1.3810   1.2100   0.030040813   0.268726247
   82   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   84   2.9000   0.1400  -0.257000   1.6450   1.4500   0.001000000  -0.126889456
   85   3.2500   0.1700   0.003200   1.8100   1.6000   0.054801302  -1.445846770
   86   3.5500   0.0760  -0.073200   2.0020   1.7750   0.023028004  -0.852763146
   87   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   88   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   95   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  100   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   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    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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   317.000  1.522
   43    44   570.000  1.229
   43    49   490.000  1.335
   49    50   434.000  1.010
   49    51   337.000  1.449
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   317.000  1.510
   54    55   340.000  1.080
   54    56   549.000  1.340
   56    57   340.000  1.080
   56    58   380.000  1.444
   58    59   549.000  1.340
   58    61   317.000  1.510
   59    60   340.000  1.080
   59    65   317.000  1.510
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   317.000  1.522
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   295.000  1.488
   77    78   488.000  1.335
   77    84   462.000  1.357
   78    79   410.000  1.394
   79    80   520.000  1.370
   79    82   310.000  1.477
   80    81   367.000  1.080
   80    84   340.000  1.360
   82    83   570.000  1.229
   82    85   490.000  1.335
   85    86   400.000  1.384
   85    95   337.000  1.449
   86    87   549.000  1.340
   86    89   320.000  1.462
   87    88   340.000  1.080
   87    91   317.000  1.510
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   89    90   570.000  1.229
   89    94   214.000  1.327
   94    98   320.000  1.410
   98    99   340.000  1.090
   98    41   268.000  1.529
   98   100   268.000  1.529
   41    42   340.000  1.090
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
  100   101   340.000  1.090
  100   102   268.000  1.529
  100   106   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
   70    71   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    63.00000  111.10000
   33    41    98    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    80.00000  120.40000
   38    43    49    70.00000  116.60000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    49    50    35.00000  119.80000
   43    49    51    50.00000  121.90000
   49    43    44    80.00000  122.90000
   49    51    52    35.00000  109.50000
   49    51    53    35.00000  109.50000
   49    51    54    75.00000  110.78400
   51    49    50    38.00000  118.40000
   51    54    55    35.00000  117.00000
   51    54    56    70.00000  124.00000
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    56    57    35.00000  120.00000
   54    56    58    70.00000  123.01800
   56    54    55    35.00000  120.00000
   56    58    59    70.00000  123.01800
   56    58    61    70.00000  124.00000
   58    56    57    35.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    65    70.00000  124.00000
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    64    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    67    70.00000  112.02700
   59    65    70    90.00000  110.39200
   65    59    60    35.00000  117.00000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    72    63.00000  111.10000
   65    70    71    55.00000  108.50000
   67    65    66    37.50000  110.70000
   67    72    73    80.00000  120.40000
   67    72    74    70.00000  116.00000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    75.00000  105.85400
   74    72    73    80.00000  120.40000
   74    77    78    65.00000  125.57700
   74    77    84    80.00000  117.62500
   76    74    75    33.00000  107.80000
   77    74    75    45.00000  109.19200
   77    74    76    45.00000  109.19200
   77    78    79    70.00000  110.00000
   77    84    80    70.00000  104.00000
   78    79    80    70.00000  111.00000
   78    79    82    65.00000  122.69000
   79    80    81    35.00000  130.70000
   79    80    84    70.00000  108.00000
   79    82    83    80.00000  122.33200
   79    82    85    75.00000  113.48100
   84    77    78    70.00000  115.00000
   84    80    81    35.00000  113.40000
   82    79    80    60.00000  124.35000
   82    85    86    70.00000  120.89900
   82    85    95    50.00000  121.90000
   85    82    83    80.00000  122.90000
   85    86    87    75.00000  120.83300
   85    86    89    70.00000  117.92000
   85    95    91    70.00000  110.72300
   85    95    96    35.00000  109.50000
   85    95    97    35.00000  109.50000
   86    87    88    35.00000  120.00000
   86    87    91    70.00000  124.00000
   86    89    90    80.00000  123.72100
   86    89    94    90.00000  111.29400
   87    91    92    35.00000  109.50000
   87    91    93    35.00000  109.50000
   87    91    95    70.00000  112.02700
   91    87    88    35.00000  117.00000
   91    95    96    37.50000  110.70000
   91    95    97    37.50000  110.70000
   93    91    92    33.00000  107.80000
   95    85    86    70.00000  119.94800
   95    91    92    37.50000  110.70000
   95    91    93    37.50000  110.70000
   97    95    96    33.00000  107.80000
   89    86    87    65.00000  118.96000
   89    94    98    83.00000  116.90000
   94    89    90    83.00000  123.40000
   94    98    99    35.00000  109.50000
   94    98    41    50.00000  109.50000
   94    98   100    50.00000  109.50000
   98    41    42    37.50000  110.70000
   98    41    45    58.35000  112.70000
   98   100   101    37.50000  110.70000
   98   100   102    58.35000  112.70000
   98   100   106    58.35000  112.70000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    98    99    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   45    41    42    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
  100    98    99    37.50000  110.70000
  100    98    41    58.35000  112.70000
  100   102   103    37.50000  110.70000
  100   102   104    37.50000  110.70000
  100   102   105    37.50000  110.70000
  100   106   107    37.50000  110.70000
  100   106   108    37.50000  110.70000
  100   106   109    37.50000  110.70000
  102   100   101    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106   100   101    37.50000  110.70000
  106   100   102    58.35000  112.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    50.00000  109.50000
   61    58    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
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    98   0.44750  1.0 1.0
   29    33    41    98  -0.17800 -1.0 2.0
   29    33    41    98   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    49   1.39750  1.0 1.0
   33    38    43    49  -0.07950 -1.0 2.0
   33    38    43    49  -0.18750  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    41    98   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   38    33    41    98   0.56750  1.0 1.0
   38    33    41    98  -0.07550 -1.0 2.0
   38    33    41    98   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    43    49    50   2.45000 -1.0 2.0
   38    43    49    51   1.49850  1.0 1.0
   38    43    49    51   1.53950 -1.0 2.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    49   0.00000  1.0 1.0
   40    38    43    44   0.00000  1.0 1.0
   40    38    43    49   0.00000  1.0 1.0
   43    49    51    52   0.00000  1.0 1.0
   43    49    51    53   0.00000  1.0 1.0
   43    49    51    54  -0.19250  1.0 1.0
   43    49    51    54  -0.00500 -1.0 2.0
   43    49    51    54   0.17000  1.0 3.0
   44    43    49    50   2.45000 -1.0 2.0
   44    43    49    51   3.04450 -1.0 2.0
   49    51    54    55   0.00000  1.0 1.0
   49    51    54    56   0.62150  1.0 1.0
   49    51    54    56   0.42850 -1.0 2.0
   49    51    54    56  -0.68200  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    54   0.00000  1.0 1.0
   51    54    56    57   7.00000 -1.0 2.0
   51    54    56    58   7.00000 -1.0 2.0
   52    51    54    55   0.33100  1.0 3.0
   52    51    54    56   0.00000  1.0 1.0
   53    51    54    55   0.33100  1.0 3.0
   53    51    54    56   0.00000  1.0 1.0
   54    56    58    59   0.28850  1.0 1.0
   54    56    58    59   2.61350 -1.0 2.0
   54    56    58    59   0.78400  1.0 3.0
   54    56    58    61  -0.18600  1.0 3.0
   55    54    56    57   7.00000 -1.0 2.0
   55    54    56    58   7.00000 -1.0 2.0
   56    58    59    60   7.00000 -1.0 2.0
   56    58    59    65   7.00000 -1.0 2.0
   56    58    61    62   0.00000  1.0 1.0
   56    58    61    63   0.00000  1.0 1.0
   56    58    61    64   0.00000  1.0 1.0
   57    56    58    59  -0.18600  1.0 3.0
   57    56    58    61   0.00000  1.0 1.0
   58    59    65    66   0.00000  1.0 1.0
   58    59    65    67   0.09850  1.0 1.0
   58    59    65    67   0.15250 -1.0 2.0
   58    59    65    67  -0.50650  1.0 3.0
   58    59    65    70   0.67800  1.0 1.0
   58    59    65    70   0.47050 -1.0 2.0
   58    59    65    70  -0.62500  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    63   0.00000  1.0 1.0
   59    58    61    64   0.00000  1.0 1.0
   59    65    67    68   0.15000  1.0 3.0
   59    65    67    69   0.15000  1.0 3.0
   59    65    67    72  -0.98800  1.0 1.0
   59    65    67    72   0.48800 -1.0 2.0
   59    65    67    72   0.76800  1.0 3.0
   59    65    70    71  -0.07800  1.0 1.0
   59    65    70    71  -0.21500 -1.0 2.0
   59    65    70    71  -0.03150  1.0 3.0
   60    59    65    66   0.33100  1.0 3.0
   60    59    65    67   0.00000  1.0 1.0
   60    59    65    70   0.00000  1.0 1.0
   65    67    72    73   0.30150 -1.0 2.0
   65    67    72    74   0.60050  1.0 1.0
   65    67    72    74   0.05600 -1.0 2.0
   65    67    72    74   0.26150  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    72  -0.11250  1.0 3.0
   66    65    70    71   0.19450  1.0 3.0
   67    65    70    71  -0.11600  1.0 1.0
   67    65    70    71  -0.09450 -1.0 2.0
   67    65    70    71   0.21250  1.0 3.0
   67    72    74    75   0.00000  1.0 1.0
   67    72    74    76   0.00000  1.0 1.0
   67    72    74    77   0.65300  1.0 1.0
   67    72    74    77  -0.03850 -1.0 2.0
   67    72    74    77   0.33900  1.0 3.0
   68    67    72    73   0.00000  1.0 1.0
   68    67    72    74   0.00000  1.0 1.0
   69    67    72    73   0.00000  1.0 1.0
   69    67    72    74   0.00000  1.0 1.0
   72    74    77    78   0.04300 -1.0 2.0
   72    74    77    84   0.04300 -1.0 2.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.00000  1.0 1.0
   73    72    74    77   0.30150 -1.0 2.0
   74    77    78    79   3.62500 -1.0 2.0
   74    77    84    80   3.62500 -1.0 2.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    84   0.00000  1.0 1.0
   76    74    77    78   0.00000  1.0 1.0
   76    74    77    84   0.00000  1.0 1.0
   77    78   -79    80   2.40000 -1.0 2.0
   77    78    79    82   3.62500 -1.0 2.0
   78    77   -84    80   3.62500 -1.0 2.0
   78    79    80    81   3.62500 -1.0 2.0
   78    79   -80    84   3.62500 -1.0 2.0
   78    79    82    83   1.05000 -1.0 2.0
   78    79    82    85   1.61600  1.0 1.0
   78    79    82    85  -0.04750 -1.0 2.0
   78    79    82    85   0.11700  1.0 3.0
   79    80   -84    77   3.62500 -1.0 2.0
   79    82    85    86   2.45000 -1.0 2.0
   79    82    85    95   1.49850  1.0 1.0
   79    82    85    95   1.53950 -1.0 2.0
   80    79    82    83   1.05000 -1.0 2.0
   80    79    82    85   0.75700  1.0 1.0
   80    79    82    85   0.34650 -1.0 2.0
   80    79    82    85   0.33000  1.0 3.0
   80    79    82    85  -0.28100 -1.0 4.0
   81    80    84    77   3.62500 -1.0 2.0
   84    77   -78    79   3.62500 -1.0 2.0
   82    79    80    81   3.62500 -1.0 2.0
   82    79    80    84   3.62500 -1.0 2.0
   82    85    86    87  -0.18900  1.0 1.0
   82    85    86    87   1.70900 -1.0 2.0
   82    85    86    89  -0.56400  1.0 1.0
   82    85    86    89   0.77500 -1.0 2.0
   82    85    86    89   0.18700  1.0 3.0
   82    85    95    91  -0.43950  1.0 1.0
   82    85    95    91  -0.08100 -1.0 2.0
   82    85    95    91   0.03350  1.0 3.0
   82    85    95    96   0.00000  1.0 1.0
   82    85    95    97   0.00000  1.0 1.0
   83    82    85    86   2.67200 -1.0 2.0
   83    82    85    95   3.04450 -1.0 2.0
   85    86    87    88   7.00000 -1.0 2.0
   85    86   -87    91   7.00000 -1.0 2.0
   85    86    89    90  -0.52200  1.0 1.0
   85    86    89    90   0.82950 -1.0 2.0
   85    86    89    94   1.50000 -1.0 2.0
   86    85   -95    91  -0.05900 -1.0 2.0
   86    85    95    96   0.00000  1.0 1.0
   86    85    95    97   0.00000  1.0 1.0
   86    87    91    92   0.00000  1.0 1.0
   86    87    91    93   0.00000  1.0 1.0
   86    87   -91    95   0.09850  1.0 1.0
   86    87   -91    95   0.15250 -1.0 2.0
   86    87   -91    95  -0.50650  1.0 3.0
   86    89    94    98   2.00000 -1.0 2.0
   87    86    89    90   1.00000 -1.0 2.0
   87    86    89    94  -0.56150  1.0 1.0
   87    86    89    94   2.19150 -1.0 2.0
   87    91   -95    85   0.21700  1.0 1.0
   87    91   -95    85   0.68550 -1.0 2.0
   87    91   -95    85  -0.27950  1.0 3.0
   87    91    95    96   0.15000  1.0 3.0
   87    91    95    97   0.15000  1.0 3.0
   88    87    91    92   0.33100  1.0 3.0
   88    87    91    93   0.33100  1.0 3.0
   88    87    91    95   0.00000  1.0 1.0
   92    91    95    85   0.15000  1.0 3.0
   92    91    95    96   0.15000  1.0 3.0
   92    91    95    97   0.15000  1.0 3.0
   93    91    95    85   0.15000  1.0 3.0
   93    91    95    96   0.15000  1.0 3.0
   93    91    95    97   0.15000  1.0 3.0
   95    85   -86    87  -0.88150  1.0 1.0
   95    85   -86    87   2.95600 -1.0 2.0
   95    85    86    89   1.00000 -1.0 2.0
   89    86    87    88   7.00000 -1.0 2.0
   89    86    87    91   7.00000 -1.0 2.0
   89    94    98    99   0.08050  1.0 3.0
   89    94    98    41  -0.25900  1.0 1.0
   89    94    98    41  -0.47000 -1.0 2.0
   89    94    98    41   0.11750  1.0 3.0
   89    94    98   100  -0.25900  1.0 1.0
   89    94    98   100  -0.47000 -1.0 2.0
   89    94    98   100   0.11750  1.0 3.0
   90    89    94    98   3.00000 -1.0 2.0
   94    98    41    33   0.62750  1.0 1.0
   94    98    41    33  -0.30950 -1.0 2.0
   94    98    41    33   0.27300  1.0 3.0
   94    98    41    42   0.23400  1.0 3.0
   94    98    41    45   0.62750  1.0 1.0
   94    98    41    45  -0.30950 -1.0 2.0
   94    98    41    45   0.27300  1.0 3.0
   94    98   100   101   0.23400  1.0 3.0
   94    98   100   102   0.62750  1.0 1.0
   94    98   100   102  -0.30950 -1.0 2.0
   94    98   100   102   0.27300  1.0 3.0
   94    98   100   106   0.62750  1.0 1.0
   94    98   100   106  -0.30950 -1.0 2.0
   94    98   100   106   0.27300  1.0 3.0
   98    41    45    46   0.15000  1.0 3.0
   98    41    45    47   0.15000  1.0 3.0
   98    41    45    48   0.15000  1.0 3.0
   98   100   102   103   0.15000  1.0 3.0
   98   100   102   104   0.15000  1.0 3.0
   98   100   102   105   0.15000  1.0 3.0
   98   100   106   107   0.15000  1.0 3.0
   98   100   106   108   0.15000  1.0 3.0
   98   100   106   109   0.15000  1.0 3.0
   99    98    41    33   0.15000  1.0 3.0
   99    98    41    42   0.15000  1.0 3.0
   99    98    41    45   0.15000  1.0 3.0
   99    98   100   101   0.15000  1.0 3.0
   99    98   100   102   0.15000  1.0 3.0
   99    98   100   106   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43  -0.95700  1.0 1.0
   41    33    38    43  -0.18200 -1.0 2.0
   41    33    38    43   0.29450  1.0 3.0
   41    98   100   101   0.15000  1.0 3.0
   41    98   100   102   0.56750  1.0 1.0
   41    98   100   102  -0.07550 -1.0 2.0
   41    98   100   102   0.20000  1.0 3.0
   41    98   100   106   0.56750  1.0 1.0
   41    98   100   106  -0.07550 -1.0 2.0
   41    98   100   106   0.20000  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    48   0.15000  1.0 3.0
  100    98    41    33   0.56750  1.0 1.0
  100    98    41    33  -0.07550 -1.0 2.0
  100    98    41    33   0.20000  1.0 3.0
  100    98    41    42   0.15000  1.0 3.0
  100    98    41    45   0.56750  1.0 1.0
  100    98    41    45  -0.07550 -1.0 2.0
  100    98    41    45   0.20000  1.0 3.0
  101   100   102   103   0.15000  1.0 3.0
  101   100   102   104   0.15000  1.0 3.0
  101   100   102   105   0.15000  1.0 3.0
  101   100   106   107   0.15000  1.0 3.0
  101   100   106   108   0.15000  1.0 3.0
  101   100   106   109   0.15000  1.0 3.0
  102   100   106   107   0.15000  1.0 3.0
  102   100   106   108   0.15000  1.0 3.0
  102   100   106   109   0.15000  1.0 3.0
  106   100   102   103   0.15000  1.0 3.0
  106   100   102   104   0.15000  1.0 3.0
  106   100   102   105   0.15000  1.0 3.0
   70    65    67    68   0.23400  1.0 3.0
   70    65    67    69   0.23400  1.0 3.0
   70    65    67    72  -0.09450  1.0 1.0
   70    65    67    72  -1.12950 -1.0 2.0
   70    65    67    72   0.54000  1.0 3.0
   61    58    59    60   7.00000 -1.0 2.0
   61    58    59    65   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   38    49    43    44  10.50000 -1.0 2.0
   50    43    49    51   1.00000 -1.0 2.0
   51    55    54    56   1.10000 -1.0 2.0
   58    57    56    54   1.10000 -1.0 2.0
   56    61    58    59   1.10000 -1.0 2.0
   65    60    59    58   1.10000 -1.0 2.0
   67    74    72    73  10.50000 -1.0 2.0
   78    84    77    74   4.00000 -1.0 2.0
   80    82    79    78   4.00000 -1.0 2.0
   84    81    80    79   1.10000 -1.0 2.0
   79    85    82    83  10.50000 -1.0 2.0
   95    82    85    86   1.00000 -1.0 2.0
   85    89    86    87   1.10000 -1.0 2.0
   91    88    87    86   1.10000 -1.0 2.0
   86    94    89    90  10.50000 -1.0 2.0
END
