* LIGAND DATABASE FILE (OPLS2005)
*
001     106   109    197    312     591
    1     0 S   NP   _N1_     1    29.34628    96.79109   -26.39328
    2     1 S   H    _HN1     2     1.02966    82.35454    -8.83429
    3     1 S   H    _H1_     3     1.02831    24.98084   179.52522
    4     1 S   H    _H2_     4     1.02782   120.61860  -115.58914
    5     1 S   CT   _CA1     5     1.50138   117.89055   100.23359
    6     5 S   HC   _HA1     6     1.09577   105.23157    85.52536
    7     5 S   CO3  _C1_     7     1.53771   112.34943   -34.65417
    8     7 S   O2Z  _O11     8     1.26356   115.00975   -45.05524
    9     7 S   O2Z  _O12     9     1.26239   114.91392   134.04354
   10     5 S   CT   _CB1    10     1.53064   107.36250  -156.65699
   11    10 S   HC   HB11    11     1.09832   109.23449   -51.28149
   12    10 S   HC   HB12    12     1.09829   110.44872    65.17104
   13    10 S   CT   _CG1    13     1.53052   112.77987  -172.45171
   14    13 S   HC   HG11    14     1.09591   110.44365   -64.29646
   15    13 S   HC   HG12    15     1.09638   110.07350    55.03332
   16    13 S   C    _CD1    16     1.51748   112.05608   175.20879
   17    16 S   O    _OE1    17     1.22772   123.13155    -4.53941
   18    16 S   N    _N2_    18     1.38544   111.99451   175.90973
   19    18 S   H    _HN2    19     1.01581   119.12875     4.04937
   20    18 S   CT1  _CA2    20     1.45776   122.67605   179.35806
   21    20 S   HC   _HA2    21     1.09325   109.77799    25.40921
   22    20 S   C    _C2_    22     1.52741   105.01609   -91.79107
   23    22 S   O    _O2_    23     1.22992   122.54102   -79.05443
   24    20 S   CT   _CB2    32     1.53047   111.98196   148.81778
   25    24 S   HC   HB21    33     1.09649   110.18508    56.52591
   26    24 S   HC   HB22    34     1.09580   110.69043   173.90796
   27    22 S   N    _N3_    24     1.38453   112.96016    96.83278
   28    27 S   H    _HN3    25     1.01636   120.20721    -1.07920
   29    24 S   S    _SG2    35     1.82867   114.26101   -62.90692
   30    27 S   CT   _CA3    26     1.45332   122.46560  -178.32112
   31    30 S   HC   HA31    27     1.09570   107.68234   -56.68094
   32    30 S   HC   HA32    28     1.09561   107.70088    59.60228
   33    29 S   CT   _C25    36     1.84323   100.44698   -69.59024
   34    33 S   HC   _H3_    37     1.09506   106.61436   -32.83731
   35    30 S   CO3  _C3_    29     1.52842   114.38955  -178.85448
   36    35 S   O2Z  _O31    30     1.26357   116.09278    -7.85273
   37    35 S   O2Z  _O32    31     1.26404   114.47902   172.23623
   38    33 S   CT   _C17    38     1.55554   109.29764  -153.21595
   39    38 S   HC   _H50    39     1.09769   108.81601    12.30107
   40    38 S   CT   _C18    40     1.54703   110.73458  -108.10576
   41    40 S   HC   _H51    41     1.10100   104.97172    59.91793
   42    38 S   CO4  _C12   100     1.52813   110.06208   126.58104
   43    42 S   O    _O27   101     1.22367   125.12415    31.55116
   44    40 S   CT   _C16    42     1.56023   112.26610   -52.68549
   45    44 S   HC   _H49    43     1.10082   105.69358   149.11744
   46    40 S   CT   _C27    75     1.54948   115.44609   175.73529
   47    46 S   HC   _H62    76     1.09859   108.47833   177.84079
   48    46 S   HC   _H63    77     1.09703   109.23728    63.67039
   49    42 S   OS   _O38   102     1.36552   109.83548  -148.38021
   50    44 S   CO   _C23    44     1.54615   111.23633    32.28702
   51    50 S   HC   _H56    45     1.09730   111.38759   -94.51890
   52    44 S   CM   _C11    70     1.51442   114.92392   -92.75781
   53    52 S   HC   _H43    71     1.08619   118.22639    63.14885
   54    46 S   CT   _C15    78     1.55164   115.50665   -59.34918
   55    54 S   HC   _H48    79     1.09624   108.39783    63.33014
   56    49 S   CT   _C26   103     1.43047   115.39316  -179.21916
   57    56 S   HC   _H59   104     1.09327   108.07268   179.59170
   58    56 S   HC   _H60   105     1.09423   110.24926    60.97954
   59    56 S   HC   _H61   106     1.09411   110.30008   -61.68562
   60    33 S   OS   _O29    46     1.43059   109.09372    83.98613
   61    50 S   OS1  _O39    47     1.43462   107.47922   146.95663
   62    52 S   CM   _C10    72     1.33870   123.87273  -117.34089
   63    62 S   HC   _H41    73     1.08470   120.47613  -179.74821
   64    62 S   HC   _H42    74     1.08452   121.63084     0.19180
   65    54 S   CA   _C7_    80     1.52264   110.60749   179.79826
   66    54 S   NT   _N26    94     1.47519   112.22656   -53.09486
   67    66 S   H    _H66    95     1.02062   108.64341   163.07083
   68    61 S   CO1  _C24    48     1.43201   112.76910   171.48341
   69    68 S   HC   _H57    49     1.09543   108.73536    49.63404
   70    65 S   CA   _C5_    81     1.40499   119.84694   -71.21131
   71    70 S   HA   _H40    82     1.08713   119.70802    -0.99878
   72    68 S   CT   _C21    50     1.53308   107.73535   168.86377
   73    72 S   HC   _H54    51     1.09673   110.01374    53.93007
   74    70 S   CA   _C9_    83     1.39441   120.26107   178.96014
   75    72 S   CT   _C19    52     1.53139   111.02254   175.82829
   76    75 S   HC   _H52    53     1.09629   110.24002    74.08725
   77    72 S   OH5  _O36    68     1.42954   110.16102   -62.94201
   78    77 S   HO   _H71    69     0.97469   107.82857   -56.64842
   79    74 S   CA   _C8_    84     1.39112   120.23695     0.19584
   80    74 S   OH   _O33    98     1.36733   120.44135  -179.88131
   81    80 S   HO   _H68    99     0.97193   108.79175     0.03426
   82    75 S   CT   _C20    54     1.53269   111.37137   -48.78292
   83    82 S   HC   _H53    55     1.09708   108.92338   -71.91830
   84    75 S   OH5  _O34    66     1.43054   109.44420  -170.14388
   85    84 S   HO   _H69    67     0.97220   108.06261    62.16565
   86    79 S   CA   _C4_    85     1.39404   120.22316     0.07662
   87    86 S   HA   _H39    86     1.08716   120.24003   179.18483
   88    79 S   OH   _O30    96     1.36732   119.32236   179.78694
   89    88 S   HO   _H67    97     0.97200   108.75486  -180.00000
   90    82 S   CT   _C22    56     1.53298   110.87337    49.16329
   91    90 S   HC   _H55    57     1.09759   111.16987    64.23095
   92    82 S   OH5  _O35    64     1.42541   109.69471   171.41878
   93    92 S   HO   _H70    65     0.97728   107.98775   -61.73046
   94    65 S   CA   _C6_    87     1.40835   120.82231   107.76321
   95    68 S   OS1  _O28    58     1.42880   110.87031   -71.12850
   96    90 S   CT   _C28    59     1.52902   111.62718  -174.96308
   97    96 S   HC   _H64    60     1.09495   111.02915    68.75264
   98    96 S   HC   _H65    61     1.09401   111.50304   -53.66249
   99    94 S   CT   _C13    88     1.50736   120.54400     3.89093
  100    99 S   HC   _H44    89     1.09750   107.98384   103.66461
  101    99 S   HC   _H45    90     1.09645   109.90579  -139.04059
  102    96 S   OH5  _O37    62     1.42539   109.04627  -172.62754
  103   102 S   HO   _H72    63     0.97226   106.98291  -179.65965
  104    99 S   CT   _C14    91     1.52779   112.77971   -17.37480
  105   104 S   HC   _H46    92     1.09585   109.24348   166.94562
  106   104 S   HC   _H47    93     1.09603   110.67686   -76.70290
  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   8   5   4   3
  14   6   2   1   1  16   8  20   9   9   2  15   8  12   5   4
   4  10   4   6   3  13   6   3   2   1   1   2   8   2   1   1
  14   9   4  13   6   9   4  12   7   8  13   7   4   1   8   3
   1  12   7   3   1   8   3   2   1   9   6   3   1   6   4   4
   3   2   5   4   3   1   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    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    50    51    60    61    46    42    43    49  
   38    39    40    50    60    42  
   36    37  
   37  
    0  
   39    40    41    44    45    50    60    52    46    47    48    54    42    43    49    56  
   40    41    44    60    46    42    43    49  
   41    44    45    50    51    60    61    52    53    62    46    47    48    54    55    65    66    42    43    49  
   44    45    50    52    46    47    48    54    42  
   43    49    56    57    58    59    44    46    60  
   49    56  
   45    50    51    60    61    68    52    53    62    63    64    46    47    48    54  
   50    51    60    61    52    53    62    46  
   47    48    54    55    65    70    94   104    66    67    50    52  
   48    54    55    65    66  
   54    55    65    66  
   56    57    58    59  
   51    60    61    68    69    72    95    52    53    62  
   60    61    68    52  
   53    62    63    64    60    61  
   62    63    64  
   55    65    70    71    74    86    94    99   104   105   106    66    67  
   65    70    94   104    66    67  
   57    58    59  
   58    59  
   59  
    0  
   61    68  
   68    69    72    73    75    90    95    77  
   63    64  
   64  
    0  
   70    71    74    79    86    87    94    99   100   101   104    66    67    80  
   67    70    94    99   100   101   104   105   106  
   99   104   105   106  
   69    72    73    75    76    82    90    91    95    96    84    77    78  
   72    73    75    90    95    77  
   71    74    79    86    94    99    88    80    81  
   74    79    94    80  
   73    75    76    82    83    90    95    92    84    85    77    78  
   75    76    82    95    84    77    78  
   79    86    87    94    88    89    80    81  
   76    82    83    90    91    95    96    92    93    84    85    77    78  
   82    83    90    92    84    85    77  
   78    82    84    95  
    0  
   86    87    94    99    88    89    80    81  
   81    86    88  
    0  
   83    90    91    95    96    97    98   102    92    93    84    85  
   90    91    95    96    92    93    84  
   85    90    92  
    0  
   87    94    99   100   101   104    88    89  
   94    99    88  
   89    94  
    0  
   91    95    96    97    98   102   103    92    93  
   95    96    97    98   102    92  
   93    95    96  
    0  
   99   100   101   104   105   106  
   96    97    98   102  
   97    98   102   103  
   98   102   103  
  102   103  
  100   101   104   105   106  
  101   104   105   106  
  104   105   106  
  103  
    0  
  105   106  
  106  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.255000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   67   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   95   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   96   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  103   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  104   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0150   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    60   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    50   250.000  1.527
   44    52   317.000  1.510
   50    51   340.000  1.090
   50    60   320.000  1.380
   50    61   320.000  1.380
   61    68   370.000  1.399
   68    69   360.000  1.097
   68    72   255.000  1.525
   68    95   370.000  1.399
   72    73   340.000  1.090
   72    75   268.000  1.529
   72    77   355.000  1.421
   75    76   340.000  1.090
   75    82   268.000  1.529
   75    84   355.000  1.421
   82    83   340.000  1.090
   82    90   268.000  1.529
   82    92   355.000  1.421
   90    91   340.000  1.090
   90    95   335.000  1.422
   90    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96   102   355.000  1.421
  102   103   580.000  0.967
   92    93   580.000  0.967
   84    85   580.000  0.967
   77    78   580.000  0.967
   52    53   340.000  1.080
   52    62   549.000  1.340
   62    63   340.000  1.080
   62    64   340.000  1.080
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    65   317.000  1.510
   54    66   382.000  1.448
   65    70   469.000  1.400
   65    94   469.000  1.400
   70    71   367.000  1.080
   70    74   469.000  1.400
   74    79   469.000  1.400
   74    80   450.000  1.364
   79    86   469.000  1.400
   79    88   450.000  1.364
   86    87   367.000  1.080
   86    94   469.000  1.400
   94    99   317.000  1.510
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104    66   382.000  1.448
   66    67   434.000  1.010
   88    89   553.000  0.945
   80    81   553.000  0.945
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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    60    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    60    50    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    50    75.00000  109.43000
   40    44    52    70.00000  112.02700
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    54    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    51    45.00000  112.01100
   44    50    60    90.00000  108.56700
   44    50    61    90.00000  108.56700
   44    52    53    35.00000  117.00000
   44    52    62    70.00000  124.00000
   50    44    45    45.00000  108.72000
   50    61    68    90.00000  112.10700
   60    33    34    35.00000  109.50000
   60    33    38    50.00000  109.50000
   60    50    51    35.00000  109.50000
   61    50    51    35.00000  109.50000
   61    50    60    92.60000  111.55000
   61    68    69    60.00000  105.75400
   61    68    72    90.00000  109.70700
   61    68    95   110.00000  113.16000
   68    72    73    45.00000  109.54000
   68    72    75    70.00000  111.10000
   68    72    77    90.00000  109.42000
   68    95    90    90.00000  112.10700
   72    68    69    45.00000  111.65000
   72    75    76    37.50000  110.70000
   72    75    82    58.35000  112.70000
   72    75    84    90.00000  111.45300
   72    77    78    65.00000  108.53500
   75    72    73    37.50000  110.70000
   75    82    83    37.50000  110.70000
   75    82    90    58.35000  112.70000
   75    82    92    90.00000  111.45300
   75    84    85    65.00000  108.53500
   82    75    76    37.50000  110.70000
   82    90    91    37.50000  110.70000
   82    90    95    95.00000  107.88500
   82    90    96    58.35000  112.70000
   82    92    93    65.00000  108.53500
   90    82    83    37.50000  110.70000
   90    96    97    37.50000  110.70000
   90    96    98    37.50000  110.70000
   90    96   102    90.00000  111.45300
   95    68    69    60.00000  105.75400
   95    68    72    90.00000  109.70700
   95    90    91    55.00000  108.98800
   96    90    91    37.50000  110.70000
   96    90    95    95.00000  107.88500
   96   102   103    65.00000  108.53500
   98    96    97    33.00000  107.80000
  102    96    97    60.00000  109.39000
  102    96    98    60.00000  109.39000
   92    82    83    60.00000  109.39000
   92    82    90    90.00000  111.45300
   84    75    76    60.00000  109.39000
   84    75    82    90.00000  111.45300
   77    72    73    60.00000  109.39000
   77    72    75    90.00000  111.45300
   52    44    45    35.00000  109.50000
   52    44    50    70.00000  112.02700
   52    62    63    35.00000  120.00000
   52    62    64    35.00000  120.00000
   62    52    53    35.00000  120.00000
   64    62    63    35.00000  117.00000
   46    40    41    37.50000  110.70000
   46    40    44    58.35000  112.70000
   46    54    55    37.50000  110.70000
   46    54    65    70.00000  112.17500
   46    54    66    56.20000  109.47000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    65    70    70.00000  120.00000
   54    65    94    70.00000  120.00000
   54    66   104    51.80000  107.20000
   54    66    67    35.00000  109.50000
   65    54    55    35.00000  109.50000
   65    70    71    35.00000  120.00000
   65    70    74    63.00000  120.00000
   65    94    86    63.00000  120.00000
   65    94    99    70.00000  120.00000
   70    74    79    63.00000  120.00000
   70    74    80    70.00000  120.00000
   74    70    71    35.00000  120.00000
   74    79    86    63.00000  120.00000
   74    79    88    70.00000  120.00000
   74    80    81    35.00000  113.00000
   79    86    87    35.00000  120.00000
   79    86    94    63.00000  120.00000
   79    88    89    35.00000  113.00000
   86    94    99    70.00000  120.00000
   94    65    70    63.00000  120.00000
   94    86    87    35.00000  120.00000
   94    99   100    35.00000  109.50000
   94    99   101    35.00000  109.50000
   94    99   104    70.00000  112.17500
   99   104   105    37.50000  110.70000
   99   104   106    37.50000  110.70000
   99   104    66    56.20000  109.47000
  101    99   100    33.00000  107.80000
  104    99   100    37.50000  110.70000
  104    99   101    37.50000  110.70000
  104    66    67    35.00000  109.50000
  106   104   105    33.00000  107.80000
   66    54    55    35.00000  109.50000
   66    54    65    75.00000  112.33000
   66   104   105    35.00000  109.50000
   66   104   106    35.00000  109.50000
   88    79    86    70.00000  120.00000
   80    74    79    70.00000  120.00000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    56    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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    60   0.13850  1.0 1.0
   24    29    33    60  -1.34450 -1.0 2.0
   24    29    33    60   0.57400  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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    60    50   0.14700  1.0 1.0
   29    33    60    50  -1.16150 -1.0 2.0
   29    33    60    50   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.56750  1.0 1.0
   33    38    40    46  -0.07550 -1.0 2.0
   33    38    40    46   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    49   0.36750  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    42  -0.11250  1.0 3.0
   34    33    60    50   0.37050  1.0 3.0
   38    33    60    50   0.06250  1.0 1.0
   38    33    60    50  -0.01100 -1.0 2.0
   38    33    60    50   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    50   3.97050  1.0 1.0
   38    40    44    52   0.34400  1.0 1.0
   38    40    44    52   0.09450 -1.0 2.0
   38    40    44    52   0.11100  1.0 3.0
   38    40    46    47   0.15000  1.0 3.0
   38    40    46    48   0.15000  1.0 3.0
   38    40    46    54   0.56750  1.0 1.0
   38    40    46    54  -0.07550 -1.0 2.0
   38    40    46    54   0.20000  1.0 3.0
   38    42    49    56   1.63150  1.0 1.0
   38    42    49    56   2.92000 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.15000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    49   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    49   0.36750  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    60   0.62750  1.0 1.0
   40    44    50    60  -0.30950 -1.0 2.0
   40    44    50    60   0.27300  1.0 3.0
   40    44    50    61   0.62750  1.0 1.0
   40    44    50    61  -0.30950 -1.0 2.0
   40    44    50    61   0.27300  1.0 3.0
   40    44    52    53   0.00000  1.0 1.0
   40    44    52    62   0.09850  1.0 1.0
   40    44    52    62   0.15250 -1.0 2.0
   40    44    52    62  -0.50650  1.0 3.0
   40    46    54    55   0.15000  1.0 3.0
   40    46    54    65  -0.03700  1.0 1.0
   40    46    54    65   0.37200 -1.0 2.0
   40    46    54    65  -0.47300  1.0 3.0
   40    46    54    66   1.53400  1.0 1.0
   40    46    54    66  -0.09950 -1.0 2.0
   40    46    54    66   0.05700  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   41    40    44    52   0.15000  1.0 3.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    48   0.15000  1.0 3.0
   41    40    46    54   0.15000  1.0 3.0
   44    40    46    47   0.15000  1.0 3.0
   44    40    46    48   0.15000  1.0 3.0
   44    40    46    54   0.56750  1.0 1.0
   44    40    46    54  -0.07550 -1.0 2.0
   44    40    46    54   0.20000  1.0 3.0
   44    50   -60    33   0.06250  1.0 1.0
   44    50   -60    33  -0.01100 -1.0 2.0
   44    50   -60    33   0.28050  1.0 3.0
   44    50    61    68   0.06250  1.0 1.0
   44    50    61    68  -0.01100 -1.0 2.0
   44    50    61    68   0.28050  1.0 3.0
   44    52    62    63   7.00000 -1.0 2.0
   44    52    62    64   7.00000 -1.0 2.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    60   0.23400  1.0 3.0
   45    44    50    61   0.23400  1.0 3.0
   45    44    52    53   0.33100  1.0 3.0
   45    44    52    62   0.00000  1.0 1.0
   50    44    52    53   0.00000  1.0 1.0
   50    44    52    62   0.09850  1.0 1.0
   50    44    52    62   0.15250 -1.0 2.0
   50    44    52    62  -0.50650  1.0 3.0
   50    61    68    69   0.37050  1.0 3.0
   50    61    68    72   0.06250  1.0 1.0
   50    61    68    72  -0.01100 -1.0 2.0
   50    61    68    72   0.28050  1.0 3.0
   50    61    68    95  -0.12700  1.0 1.0
   50    61    68    95  -1.16200 -1.0 2.0
   50    61    68    95   0.58800  1.0 3.0
   51    50    60    33   0.37050  1.0 3.0
   51    50    61    68   0.37050  1.0 3.0
   60    33    38    39   0.23400  1.0 3.0
   60    33   -38    40   0.62750  1.0 1.0
   60    33   -38    40  -0.30950 -1.0 2.0
   60    33   -38    40   0.27300  1.0 3.0
   60    33    38    42  -0.09450  1.0 1.0
   60    33    38    42  -1.12950 -1.0 2.0
   60    33    38    42   0.54000  1.0 3.0
   60    50    61    68  -0.53350  1.0 1.0
   60    50    61    68  -0.78350 -1.0 2.0
   60    50    61    68   0.33750  1.0 3.0
   61    50    60    33  -0.81800  1.0 1.0
   61    68    72    73   0.23400  1.0 3.0
   61    68    72    75   0.62750  1.0 1.0
   61    68    72    75  -0.30950 -1.0 2.0
   61    68    72    75   0.27300  1.0 3.0
   61    68    72    77   1.51850  1.0 1.0
   61    68    95    90  -0.70400  1.0 1.0
   61    68    95    90  -0.90350 -1.0 2.0
   68    72    75    76   0.15000  1.0 3.0
   68    72    75    82   0.56750  1.0 1.0
   68    72    75    82  -0.07550 -1.0 2.0
   68    72    75    82   0.20000  1.0 3.0
   68    72    75    84  -0.47750  1.0 1.0
   68    72    77    78   0.29150  1.0 1.0
   68    72    77    78  -0.28350 -1.0 2.0
   68    72    77    78   0.43600  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    75   0.15000  1.0 3.0
   69    68    72    77   0.23400  1.0 3.0
   69    68    95    90   0.37050  1.0 3.0
   72    68    95    90   0.06250  1.0 1.0
   72    68    95    90  -0.01100 -1.0 2.0
   72    68    95    90   0.28050  1.0 3.0
   72    75    82    83   0.15000  1.0 3.0
   72    75   -82    90   0.56750  1.0 1.0
   72    75   -82    90  -0.07550 -1.0 2.0
   72    75   -82    90   0.20000  1.0 3.0
   72    75    82    92  -0.47750  1.0 1.0
   72    75    84    85   0.29150  1.0 1.0
   72    75    84    85  -0.28350 -1.0 2.0
   72    75    84    85   0.43600  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    82   0.15000  1.0 3.0
   73    72    75    84   0.23400  1.0 3.0
   73    72    77    78   0.19450  1.0 3.0
   75    72    77    78   0.29150  1.0 1.0
   75    72    77    78  -0.28350 -1.0 2.0
   75    72    77    78   0.43600  1.0 3.0
   75    82    90    91   0.15000  1.0 3.0
   75    82    90    95   0.62750  1.0 1.0
   75    82    90    95  -0.30950 -1.0 2.0
   75    82    90    95   0.27300  1.0 3.0
   75    82    90    96   0.56750  1.0 1.0
   75    82    90    96  -0.07550 -1.0 2.0
   75    82    90    96   0.20000  1.0 3.0
   75    82    92    93   0.29150  1.0 1.0
   75    82    92    93  -0.28350 -1.0 2.0
   75    82    92    93   0.43600  1.0 3.0
   76    75    82    83   0.15000  1.0 3.0
   76    75    82    90   0.15000  1.0 3.0
   76    75    82    92   0.23400  1.0 3.0
   76    75    84    85   0.19450  1.0 3.0
   82    75    84    85   0.29150  1.0 1.0
   82    75    84    85  -0.28350 -1.0 2.0
   82    75    84    85   0.43600  1.0 3.0
   82    90   -95    68   0.06250  1.0 1.0
   82    90   -95    68  -0.01100 -1.0 2.0
   82    90   -95    68   0.28050  1.0 3.0
   82    90    96    97   0.15000  1.0 3.0
   82    90    96    98   0.15000  1.0 3.0
   82    90    96   102  -0.47750  1.0 1.0
   83    82    90    91   0.15000  1.0 3.0
   83    82    90    95   0.23400  1.0 3.0
   83    82    90    96   0.15000  1.0 3.0
   83    82    92    93   0.19450  1.0 3.0
   90    82    92    93   0.29150  1.0 1.0
   90    82    92    93  -0.28350 -1.0 2.0
   90    82    92    93   0.43600  1.0 3.0
   90    96   102   103   0.29150  1.0 1.0
   90    96   102   103  -0.28350 -1.0 2.0
   90    96   102   103   0.43600  1.0 3.0
   91    90    95    68   0.37050  1.0 3.0
   91    90    96    97   0.15000  1.0 3.0
   91    90    96    98   0.15000  1.0 3.0
   91    90    96   102   0.23400  1.0 3.0
   95    68    72    73   0.23400  1.0 3.0
   95    68   -72    75   0.62750  1.0 1.0
   95    68   -72    75  -0.30950 -1.0 2.0
   95    68   -72    75   0.27300  1.0 3.0
   95    68    72    77   1.51850  1.0 1.0
   95    90    96    97   0.23400  1.0 3.0
   95    90    96    98   0.23400  1.0 3.0
   95    90    96   102   1.51850  1.0 1.0
   96    90    95    68   0.06250  1.0 1.0
   96    90    95    68  -0.01100 -1.0 2.0
   96    90    95    68   0.28050  1.0 3.0
   97    96   102   103   0.19450  1.0 3.0
   98    96   102   103   0.19450  1.0 3.0
   92    82    90    91   0.23400  1.0 3.0
   92    82    90    95   1.51850  1.0 1.0
   92    82    90    96  -0.47750  1.0 1.0
   84    75    82    83   0.23400  1.0 3.0
   84    75    82    90  -0.47750  1.0 1.0
   84    75    82    92   3.77950  1.0 1.0
   77    72    75    76   0.23400  1.0 3.0
   77    72    75    82  -0.47750  1.0 1.0
   77    72    75    84   3.77950  1.0 1.0
   52    44    50    51   0.15000  1.0 3.0
   52    44    50    60   0.61850  1.0 1.0
   52    44    50    60  -0.22750 -1.0 2.0
   52    44    50    60   0.15300  1.0 3.0
   52    44    50    61   0.61850  1.0 1.0
   52    44    50    61  -0.22750 -1.0 2.0
   52    44    50    61   0.15300  1.0 3.0
   53    52    62    63   7.00000 -1.0 2.0
   53    52    62    64   7.00000 -1.0 2.0
   46    40    44    45   0.15000  1.0 3.0
   46    40    44    50   3.97050  1.0 1.0
   46    40    44    52   0.34400  1.0 1.0
   46    40    44    52   0.09450 -1.0 2.0
   46    40    44    52   0.11100  1.0 3.0
   46    54    65    70   0.04150 -1.0 2.0
   46    54    65    94   0.04150 -1.0 2.0
   46    54    66   104   0.23450  1.0 1.0
   46    54    66   104   0.02050 -1.0 2.0
   46    54    66   104   0.25250  1.0 3.0
   46    54    66    67  -0.05950  1.0 1.0
   46    54    66    67   0.08850 -1.0 2.0
   46    54    66    67   0.11750  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    65   0.43200  1.0 3.0
   47    46    54    66   0.15000  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    65   0.43200  1.0 3.0
   48    46    54    66   0.15000  1.0 3.0
   54    65    70    71   3.62500 -1.0 2.0
   54    65    70    74   3.62500 -1.0 2.0
   54    65    94    86   3.62500 -1.0 2.0
   54    65    94    99   3.62500 -1.0 2.0
   55    54    65    70   0.00000  1.0 1.0
   55    54    65    94   0.00000  1.0 1.0
   55    54    66   104   0.28000  1.0 3.0
   55    54    66    67   0.20000  1.0 3.0
   65    54    66   104   0.82600  1.0 1.0
   65    54    66   104  -0.32100 -1.0 2.0
   65    54    66   104   1.02000  1.0 3.0
   65    54    66    67   0.76500  1.0 1.0
   65    54    66    67   0.05700 -1.0 2.0
   65    54    66    67  -0.90900  1.0 3.0
   65    70    74    79   3.62500 -1.0 2.0
   65    70    74    80   3.62500 -1.0 2.0
   65    94    99   100   0.00000  1.0 1.0
   65    94    99   101   0.00000  1.0 1.0
   65    94   -99   104   0.04150 -1.0 2.0
   70    65    94    86   3.62500 -1.0 2.0
   70    65    94    99   3.62500 -1.0 2.0
   70    74   -79    86   3.62500 -1.0 2.0
   70    74    79    88   3.62500 -1.0 2.0
   70    74    80    81   0.84100 -1.0 2.0
   71    70    74    79   3.62500 -1.0 2.0
   71    70    74    80   3.62500 -1.0 2.0
   74    79    86    87   3.62500 -1.0 2.0
   74    79    86    94   3.62500 -1.0 2.0
   74    79    88    89   0.84100 -1.0 2.0
   79    74    80    81   0.84100 -1.0 2.0
   79    86   -94    65   3.62500 -1.0 2.0
   79    86    94    99   3.62500 -1.0 2.0
   86    79    88    89   0.84100 -1.0 2.0
   86    94    99   100   0.00000  1.0 1.0
   86    94    99   101   0.00000  1.0 1.0
   86    94    99   104   0.04150 -1.0 2.0
   87    86    94    65   3.62500 -1.0 2.0
   87    86    94    99   3.62500 -1.0 2.0
   94    65    70    71   3.62500 -1.0 2.0
   94    65   -70    74   3.62500 -1.0 2.0
   94    99   104   105   0.43200  1.0 3.0
   94    99   104   106   0.43200  1.0 3.0
   94    99   104    66   0.83750  1.0 1.0
   94    99   104    66   0.32200 -1.0 2.0
   94    99   104    66   0.70600  1.0 3.0
   99   104   -66    54   0.23450  1.0 1.0
   99   104   -66    54   0.02050 -1.0 2.0
   99   104   -66    54   0.25250  1.0 3.0
   99   104    66    67  -0.15950  1.0 1.0
   99   104    66    67   0.34650 -1.0 2.0
   99   104    66    67   0.05750  1.0 3.0
  100    99   104   105   0.15000  1.0 3.0
  100    99   104   106   0.15000  1.0 3.0
  100    99   104    66   0.15000  1.0 3.0
  101    99   104   105   0.15000  1.0 3.0
  101    99   104   106   0.15000  1.0 3.0
  101    99   104    66   0.15000  1.0 3.0
  105   104    66    54   0.28000  1.0 3.0
  105   104    66    67   0.20000  1.0 3.0
  106   104    66    54   0.28000  1.0 3.0
  106   104    66    67   0.20000  1.0 3.0
   66    54    65    70   0.18550 -1.0 2.0
   66    54    65    70   0.14000  1.0 3.0
   66    54   -65    94   0.18550 -1.0 2.0
   66    54   -65    94   0.14000  1.0 3.0
   88    79    86    87   3.62500 -1.0 2.0
   88    79    86    94   3.62500 -1.0 2.0
   80    74    79    86   3.62500 -1.0 2.0
   80    74    79    88   3.62500 -1.0 2.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    44  -0.95700  1.0 1.0
   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    46  -0.95700  1.0 1.0
   42    38    40    46  -0.18200 -1.0 2.0
   42    38    40    46   0.29450  1.0 3.0
   42    49    56    57   0.08050  1.0 3.0
   42    49    56    58   0.08050  1.0 3.0
   42    49    56    59   0.08050  1.0 3.0
   43    42    49    56   3.00000 -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
   44    53    52    62  15.00000 -1.0 2.0
   63    64    62    52  15.00000 -1.0 2.0
   70    94    65    54   4.00000 -1.0 2.0
   74    71    70    65   1.10000 -1.0 2.0
   79    80    74    70   4.00000 -1.0 2.0
   86    88    79    74   4.00000 -1.0 2.0
   94    87    86    79   1.10000 -1.0 2.0
   86    99    94    65   4.00000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
