* LIGAND DATABASE FILE (OPLS2005)
*
001     101   104    198    313     589
    1     0 S   NP   _N1_     1    29.09333    95.00497   -23.60944
    2     1 S   H    _HN1     2     1.02782   104.85221   -86.31114
    3     1 S   H    _H1_     3     1.02948    79.40781    20.06161
    4     1 S   H    _H2_     4     1.02829    30.86530   173.59036
    5     1 S   CT   _CA1     5     1.50111   135.18400   128.43741
    6     5 S   HC   _HA1     6     1.09570   105.22365    82.07722
    7     5 S   CO3  _C1_     7     1.53790   112.39285   -38.21214
    8     7 S   O2Z  _O11     8     1.26374   115.00130   -43.76898
    9     7 S   O2Z  _O12     9     1.26235   114.94372   135.36220
   10     5 S   CT   _CB1    10     1.53066   107.42989  -159.92314
   11    10 S   HC   HB11    11     1.09835   109.41974   -49.66034
   12    10 S   HC   HB12    12     1.09825   110.43669    66.91470
   13    10 S   CT   _CG1    13     1.53031   112.60861  -170.66712
   14    13 S   HC   HG11    14     1.09581   110.59507   -64.22563
   15    13 S   HC   HG12    15     1.09657   109.90854    55.09557
   16    13 S   C    _CD1    16     1.51731   112.10240   175.51031
   17    16 S   O    _OE1    17     1.22705   123.16394     3.79942
   18    16 S   N    _N2_    18     1.38586   111.84267  -176.45641
   19    18 S   H    _HN2    19     1.01591   119.07960     1.09754
   20    18 S   CT1  _CA2    20     1.46125   123.18185   178.81651
   21    20 S   HC   _HA2    21     1.09584   109.25668    -6.84894
   22    20 S   C    _C2_    22     1.53441   108.67370  -121.91276
   23    22 S   O    _O2_    23     1.23043   122.27274  -149.41556
   24    20 S   CT   _CB2    32     1.53332   111.74980   115.60317
   25    24 S   HC   HB21    33     1.09653   109.58541    61.52172
   26    24 S   HC   HB22    34     1.09562   111.04803   178.95227
   27    22 S   N    _N3_    24     1.38341   113.57986    38.09475
   28    27 S   H    _HN3    25     1.01631   119.48227    -3.33519
   29    24 S   S    _SG2    35     1.82853   114.34225   -58.10076
   30    27 S   CT   _CA3    26     1.45285   123.17145   177.01390
   31    30 S   HC   HA31    27     1.09549   107.51143   -64.67660
   32    30 S   HC   HA32    28     1.09558   107.97248    51.74514
   33    29 S   CT   _C27    36     1.83827    99.88084   -70.97342
   34    33 S   HC   _H3_    37     1.09104   107.03529   -55.46090
   35    33 S   HC   _H4_    38     1.09151   105.02562    60.34938
   36    30 S   CO3  _C3_    29     1.52946   114.11523   173.78341
   37    36 S   O2Z  _O31    30     1.26372   116.05431     0.51358
   38    36 S   O2Z  _O32    31     1.26430   114.41395  -179.43145
   39    33 S   CT   _C21    39     1.56237   114.35214   179.91844
   40    39 S   CT   _C10    40     1.54766   112.50442    54.16716
   41    40 S   HC   _H39    41     1.09555   111.52083   -53.47380
   42    40 S   HC   _H40    42     1.09696   109.93005  -167.03371
   43    39 S   OH   _O29   100     1.43687   105.33452   -61.68572
   44    43 S   HO   _H67   101     0.97327   107.70069    55.23312
   45    40 S   CT   _C8_    43     1.52028   112.98610    70.24991
   46    45 S   HC   _H35    44     1.09642   109.85699   -67.94246
   47    45 S   HC   _H36    45     1.09645   109.24924   175.80838
   48    45 S   CT   _C9_    46     1.52752   112.70566    54.28967
   49    48 S   HC   _H37    47     1.09443   109.21688    69.36179
   50    48 S   HC   _H38    48     1.09175   106.66847  -177.30398
   51    48 S   CT   _C14    49     1.55329   112.37960   -54.12172
   52    51 S   HC   _H46    50     1.09782   105.25831   -55.87454
   53    51 S   CT   _C19    51     1.61273   114.44833  -167.57116
   54    53 S   CT   _C15    52     1.58487   108.29448  -175.58789
   55    54 S   HC   _H47    53     1.09873   107.58408   -67.73402
   56    53 S   CT   _C16    81     1.59088   107.29582    65.56999
   57    56 S   HC   _H48    82     1.09201   109.06038   -38.30109
   58    53 S   CT   _C25    96     1.54479   111.64577   -52.04486
   59    58 S   HC   _H60    97     1.09437   111.99679   173.39164
   60    58 S   HC   _H61    98     1.09411   111.74065    54.35799
   61    58 S   HC   _H62    99     1.08731   113.23099   -68.14862
   62    54 S   CT   _C12    54     1.53482   113.69439    47.91184
   63    62 S   HC   _H43    55     1.09451   111.71921    66.47471
   64    62 S   HC   _H44    56     1.09830   109.28747  -178.76077
   65    54 S   CT   _C24    77     1.53391   116.14775   174.34293
   66    65 S   HC   _H57    78     1.09308   112.39337   -54.87671
   67    65 S   HC   _H58    79     1.09652   110.69349  -174.53446
   68    65 S   HC   _H59    80     1.09128   111.42701    68.37560
   69    56 S   CT   _C11    83     1.52777   119.55794  -159.27292
   70    69 S   HC   _H41    84     1.09539   112.10793    79.37554
   71    69 S   HC   _H42    85     1.09019   112.38227   -41.43280
   72    56 S   OS   _O28    95     1.43870   111.34674    77.29200
   73    62 S   CT   _C17    57     1.52922   111.00410   -59.47033
   74    73 S   HC   _H49    58     1.09605   107.01239   -56.00502
   75    69 S   CT   _C13    86     1.51404   103.50445  -158.39101
   76    75 S   HC   _H45    87     1.09487   112.42611   147.83902
   77    39 S   CT   _C20    59     1.61982   113.20415   178.50931
   78    73 S   OS   _O30    70     1.44170   109.03143  -173.53213
   79    75 S   CM   _C4_    88     1.48438   115.73827   -84.85954
   80    79 S   HC   _H33    89     1.07895   125.78825   -63.08303
   81    77 S   CT   _C26    60     1.58008   109.10646   170.37263
   82    81 S   HC   _H63    61     1.08631   111.28576  -176.71866
   83    81 S   HC   _H64    62     1.09239   111.67128    63.69320
   84    78 S   CO4  _C6_    71     1.36168   117.99920    84.77121
   85    84 S   O    _O25    72     1.22314   126.47891    -2.69508
   86    79 S   CM   _C5_    90     1.32682   108.48253   119.35308
   87    86 S   HC   _H34    91     1.07557   128.50010   177.62134
   88    81 S   OS   _O33    63     1.43933   112.78946   -57.77316
   89    84 S   CT   _C22    73     1.49851   109.35675   177.76971
   90    89 S   HC   _H51    74     1.09323   109.85820   -57.06009
   91    89 S   HC   _H52    75     1.09375   109.37189  -175.85603
   92    89 S   HC   _H53    76     1.09272   109.79186    64.77753
   93    86 S   OS   _O27    92     1.37668   116.46903    -1.50402
   94    88 S   CO4  _C7_    64     1.36098   116.37094   178.99109
   95    94 S   O    _O26    65     1.22326   126.31602     0.01978
   96    75 S   CO   _C18    93     1.53029   104.21317    25.29629
   97    96 S   HC   _H50    94     1.09529   112.25105   108.64104
   98    94 S   CT   _C23    66     1.49825   109.44471   180.00000
   99    98 S   HC   _H54    67     1.09304   109.81674   -60.32531
  100    98 S   HC   _H55    68     1.09373   109.37700  -179.37536
  101    98 S   HC   _H56    69     1.09292   109.80709    61.51501
  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   7   5   4   3
  13   5   4   2   1   1  21  14   7   6   6   1   9   5   4  11
   5   4  22   7  24  20  10  18   7   8   2   1   1  12   6   5
   4   2   1   1  11   6   5   7  10   4   8   6   7   7   6   4
   6   3   2   5   4   4   2   6   3   2   1   1   2   5   4   1
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    77    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    51    73    77    81    43    44  
   35    39    40    77    43  
   39    40    77    43  
   37    38  
   38  
    0  
   40    41    42    45    46    47    48    51    52    53    62    73    74    77    81    82    83    88    78    43    44  
   41    42    45    46    47    48    49    50    51    73    77    81    43    44  
   42    45    46    47    48    77    43  
   45    46    47    48    77    43  
   44    45    51    73    77    81  
   77  
   46    47    48    49    50    51    52    53    77  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    54    73    77    81    56    58  
   50    51    52    53    77  
   51    52    53    77  
   52    53    54    55    62    73    74    77    81    82    83    88    78    65    56    57    69    72    58    59    60    61  
   53    54    73    77    81    56    58  
   54    55    62    63    64    73    77    81    65    66    67    68    56    57    69    70    71    75    96    72    58    59    60    61  
   55    62    63    64    73    74    77    78    65    66    67    68    56    57    69    72    58    59    60    61  
   62    63    64    73    65    66    67    68    56    58  
   57    69    70    71    75    76    79    93    96    97    72    58    59    60    61    62    65    77  
   69    70    71    75    96    72    58  
   59    60    61    62    65    69    72    77  
   60    61  
   61  
    0  
   63    64    73    74    77    81    78    84    65    66    67    68  
   64    73    74    77    78    65  
   73    74    77    78    65  
   66    67    68    73  
   67    68  
   68  
    0  
   70    71    75    76    79    80    86    93    96    97    72  
   71    75    76    79    96    72  
   75    76    79    96    72  
   75    76    79    86    93    96    97  
   74    77    81    82    83    88    78    84    85    89  
   77    81    78    84  
   76    79    80    86    87    93    96    97  
   79    80    86    93    96    97  
   81    82    83    88    94    78    84  
   84    85    89    90    91    92    81  
   80    86    87    93    96    97  
   86    87    93    96  
   82    83    88    94    95    98  
   83    88    94  
   88    94  
   85    89    90    91    92  
   89    90    91    92  
   87    93    96    97  
   93    96  
   94    95    98    99   100   101  
   90    91    92  
   91    92  
   92  
    0  
   96    97  
   95    98    99   100   101  
   98    99   100   101  
   97  
    0  
   99   100   101  
  100   101  
  101  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   94   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   96   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    77   268.000  1.529
   39    43   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    77   268.000  1.529
   53    54   268.000  1.529
   53    56   268.000  1.529
   53    58   268.000  1.529
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    73   268.000  1.529
   73    74   340.000  1.090
   73    77   268.000  1.529
   73    78   320.000  1.410
   77    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    88   320.000  1.410
   88    94   214.000  1.327
   94    95   570.000  1.229
   94    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   78    84   214.000  1.327
   84    85   570.000  1.229
   84    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   56    57   340.000  1.090
   56    69   268.000  1.529
   56    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    79   317.000  1.510
   75    96   250.000  1.527
   79    80   340.000  1.080
   79    86   549.000  1.340
   86    87   340.000  1.080
   86    93   440.000  1.360
   93    96   320.000  1.380
   96    97   340.000  1.090
   96    72   320.000  1.380
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   43    44   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    77    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    42    37.50000  110.70000
   39    40    45    58.35000  112.70000
   39    77    51    58.35000  112.70000
   39    77    73    58.35000  112.70000
   39    77    81    58.35000  112.70000
   39    43    44    55.00000  108.50000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    58.35000  112.70000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   48    51    77    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    58.35000  112.70000
   51    53    56    58.35000  112.70000
   51    53    58    58.35000  112.70000
   51    77    73    58.35000  112.70000
   51    77    81    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    54    55    37.50000  110.70000
   53    54    62    58.35000  112.70000
   53    54    65    58.35000  112.70000
   53    56    57    37.50000  110.70000
   53    56    69    58.35000  112.70000
   53    56    72    50.00000  109.50000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    61    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    73    58.35000  112.70000
   54    65    66    37.50000  110.70000
   54    65    67    37.50000  110.70000
   54    65    68    37.50000  110.70000
   62    54    55    37.50000  110.70000
   62    73    74    37.50000  110.70000
   62    73    77    58.35000  112.70000
   62    73    78    50.00000  109.50000
   64    62    63    33.00000  107.80000
   73    62    63    37.50000  110.70000
   73    62    64    37.50000  110.70000
   73    77    81    58.35000  112.70000
   73    78    84    83.00000  116.90000
   77    39    40    58.35000  112.70000
   77    51    52    37.50000  110.70000
   77    51    53    58.35000  112.70000
   77    73    74    37.50000  110.70000
   77    81    82    37.50000  110.70000
   77    81    83    37.50000  110.70000
   77    81    88    50.00000  109.50000
   81    88    94    83.00000  116.90000
   83    81    82    33.00000  107.80000
   88    81    82    35.00000  109.50000
   88    81    83    35.00000  109.50000
   88    94    95    83.00000  123.40000
   88    94    98    81.00000  111.40000
   94    98    99    35.00000  109.50000
   94    98   100    35.00000  109.50000
   94    98   101    35.00000  109.50000
   98    94    95    80.00000  120.40000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   78    73    74    35.00000  109.50000
   78    73    77    50.00000  109.50000
   78    84    85    83.00000  123.40000
   78    84    89    81.00000  111.40000
   84    89    90    35.00000  109.50000
   84    89    91    35.00000  109.50000
   84    89    92    35.00000  109.50000
   89    84    85    80.00000  120.40000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   65    54    55    37.50000  110.70000
   65    54    62    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   56    53    54    58.35000  112.70000
   56    69    70    37.50000  110.70000
   56    69    71    37.50000  110.70000
   56    69    75    58.35000  112.70000
   56    72    96    60.00000  109.50000
   69    56    57    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    79    70.00000  112.02700
   69    75    96    75.00000  109.43000
   71    69    70    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    71    37.50000  110.70000
   75    79    80    35.00000  117.00000
   75    79    86    70.00000  124.00000
   75    96    93    90.00000  108.56700
   75    96    97    45.00000  112.01100
   75    96    72    90.00000  108.56700
   79    75    76    35.00000  109.50000
   79    86    87    35.00000  120.00000
   79    86    93    80.00000  120.01400
   86    79    80    35.00000  120.00000
   86    93    96    85.00000  113.97000
   93    86    87    55.00000  109.52600
   93    96    97    35.00000  109.50000
   93    96    72    92.60000  111.55000
   96    75    76    45.00000  108.72000
   96    75    79    70.00000  112.02700
   72    56    57    35.00000  109.50000
   72    56    69    50.00000  109.50000
   72    96    97    35.00000  109.50000
   58    53    54    58.35000  112.70000
   58    53    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   43    39    40    50.00000  109.50000
   43    39    77    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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
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   58    53    56    69  -0.07550 -1.0 2.0
   58    53    56    69   0.20000  1.0 3.0
   58    53    56    72   0.62750  1.0 1.0
   58    53    56    72  -0.30950 -1.0 2.0
   58    53    56    72   0.27300  1.0 3.0
   43    39    40    41   0.23400  1.0 3.0
   43    39    40    42   0.23400  1.0 3.0
   43    39    40    45   0.86500  1.0 1.0
   43    39    40    45  -0.17500 -1.0 2.0
   43    39    40    45   0.20800  1.0 3.0
   43    39    77    51   0.86500  1.0 1.0
   43    39    77    51  -0.17500 -1.0 2.0
   43    39    77    51   0.20800  1.0 3.0
   43    39    77    73   0.86500  1.0 1.0
   43    39    77    73  -0.17500 -1.0 2.0
   43    39    77    73   0.20800  1.0 3.0
   43    39    77    81   0.86500  1.0 1.0
   43    39    77    81  -0.17500 -1.0 2.0
   43    39    77    81   0.20800  1.0 3.0
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
   38    30    36    37  10.50000 -1.0 2.0
   88    98    94    95  10.50000 -1.0 2.0
   78    89    84    85  10.50000 -1.0 2.0
   75    80    79    86   1.10000 -1.0 2.0
   93    87    86    79   1.10000 -1.0 2.0
END
