* LIGAND DATABASE FILE (OPLS2005)
*
001     101   104    201    325     605
    1     0 S   NP   _N1_     1    28.92735    95.15178   -25.87449
    2     1 S   H    _HN1     2     1.02949    76.98594    12.36863
    3     1 S   H    _H1_     3     1.02827    30.16716  -163.65697
    4     1 S   H    _H2_     4     1.02786   120.56533   -91.47047
    5     1 S   CT   _CA1     5     1.50122   120.97776   118.52554
    6     5 S   HC   _HA1     6     1.09575   105.17305    90.92396
    7     5 S   CO3  _C1_     7     1.53771   112.47373   -29.26056
    8     7 S   O2Z  _O11     8     1.26370   115.00161   -42.25657
    9     7 S   O2Z  _O12     9     1.26240   114.93890   136.80404
   10     5 S   CT   _CB1    10     1.53071   107.40717  -151.13246
   11    10 S   HC   HB11    11     1.09835   109.30189   -49.88215
   12    10 S   HC   HB12    12     1.09811   110.47627    66.70608
   13    10 S   CT   _CG1    13     1.53000   112.63784  -170.86671
   14    13 S   HC   HG11    14     1.09578   110.65226   -66.95501
   15    13 S   HC   HG12    15     1.09673   109.75676    52.28012
   16    13 S   C    _CD1    16     1.51812   112.16410   172.68691
   17    16 S   O    _OE1    17     1.22737   123.26545     8.58790
   18    16 S   N    _N2_    18     1.38660   111.72276  -171.39371
   19    18 S   H    _HN2    19     1.01578   118.93263     1.29543
   20    18 S   CT1  _CA2    20     1.46167   123.35648   176.55502
   21    20 S   HC   _HA2    21     1.09733   109.37271     4.22457
   22    20 S   C    _C2_    22     1.53615   108.65967  -111.29088
   23    22 S   O    _O2_    23     1.23075   122.26680  -147.87446
   24    20 S   CT   _CB2    32     1.53264   111.71011   126.31370
   25    24 S   HC   HB21    33     1.09597   110.15349    55.97987
   26    24 S   HC   HB22    34     1.09419   109.89316   174.78669
   27    22 S   N    _N3_    24     1.38312   113.75661    39.53269
   28    27 S   H    _HN3    25     1.01572   119.61209    -3.17823
   29    24 S   S    _SG2    35     1.82924   111.77243   -64.74254
   30    27 S   CT   _CA3    26     1.45284   123.22533   177.21407
   31    30 S   HC   HA31    27     1.09548   107.50117   -65.00368
   32    30 S   HC   HA32    28     1.09557   108.00375    51.44531
   33    29 S   CT   _C20    36     1.85802    99.39959  -178.31089
   34    33 S   HC   _H3_    37     1.09713   105.82757   -30.79181
   35    30 S   CO3  _C3_    29     1.52964   114.06120   173.45800
   36    35 S   O2Z  _O31    30     1.26379   116.06845    -0.42933
   37    35 S   O2Z  _O32    31     1.26427   114.40934   179.63043
   38    33 S   CT   _C12    38     1.54404   107.05581    84.87033
   39    38 S   HC   _H41    39     1.09176   110.64550    61.35860
   40    38 S   HC   _H42    40     1.08834   106.58841   -50.82164
   41    33 S   CT   _C16    93     1.55385   108.23426  -147.11403
   42    41 S   HC   _H47    94     1.10134   106.11033    26.64349
   43    38 S   CT   _C17    41     1.53723   114.01055  -171.65729
   44    43 S   HC   _H48    42     1.09707   106.23711    13.32422
   45    41 S   CO4  _C6_    95     1.51751   110.09402   134.94997
   46    45 S   O    _O27    96     1.22918   122.89096  -132.90438
   47    45 S   HC   _H32    97     1.09847   117.33749    47.81234
   48    43 S   CT   _C21    43     1.56292   115.61046  -104.42292
   49    48 S   CT   _C9_    44     1.54888   100.53362  -163.13129
   50    49 S   HC   _H35    45     1.09802   110.86772   -74.41322
   51    49 S   HC   _H36    46     1.09544   112.86707   164.94587
   52    48 S   CT   _C13    74     1.55166   113.71405    82.21584
   53    52 S   HC   _H43    75     1.09928   106.04905   156.06554
   54    52 S   HC   _H44    76     1.09339   109.62297    44.50703
   55    48 S   CT   _C27    98     1.54312   114.79688   -46.85612
   56    55 S   HC   _H61    99     1.09270   112.82000    69.88615
   57    55 S   HC   _H62   100     1.09250   112.54199   -50.88252
   58    55 S   HC   _H63   101     1.09647   110.46184  -170.60225
   59    49 S   CT   _C10    47     1.52033   104.63449    43.49919
   60    59 S   HC   _H37    48     1.09267   108.90895    81.26021
   61    59 S   HC   _H38    49     1.09545   110.06036  -161.04125
   62    52 S   CT   _C18    77     1.53816   119.11369   -84.47050
   63    62 S   HC   _H49    78     1.10092   106.49005   -59.75718
   64    43 S   CT   _C22    50     1.57614   117.34558   129.31431
   65    62 S   CT   _C14    79     1.54851   119.93999    59.70953
   66    65 S   HC   _H45    80     1.09733   107.50415   -94.69206
   67    64 S   CT   _C19    51     1.53695   120.89687     7.01862
   68    67 S   HC   _H50    52     1.09631   110.08181   -46.90217
   69    65 S   CO4  _C4_    81     1.52507   101.22341   156.76951
   70    69 S   O    _O26    82     1.22653   123.88223   168.36943
   71    67 S   CT   _C11    53     1.52000   101.72680  -158.06131
   72    71 S   HC   _H39    54     1.09708   110.65461   -77.90419
   73    71 S   HC   _H40    55     1.09521   113.16669   161.67214
   74    67 S   CT   _C26    70     1.51839   117.94764    77.29350
   75    74 S   HC   _H58    71     1.09347   112.53773    63.32874
   76    74 S   HC   _H59    72     1.09345   111.08732   -58.66458
   77    74 S   HC   _H60    73     1.09569   110.02984  -177.55712
   78    69 S   CT   _C8_    83     1.50394   113.40437    -9.64985
   79    78 S   HC   _H33    84     1.09454   107.71710   106.44391
   80    78 S   HC   _H34    85     1.09327   109.79017  -132.55807
   81    71 S   CT   _C15    56     1.52474   102.18621    39.06795
   82    81 S   HC   _H46    57     1.09296   110.83101  -140.45054
   83    62 S   CT   _C23    86     1.55462   113.24408  -174.61777
   84    64 S   OS   _O28    58     1.46149   106.45271  -108.95881
   85    81 S   CM   _C5_    59     1.50484   112.72918    93.28704
   86    85 S   HC   _H31    60     1.08988   114.67055   -74.35669
   87    83 S   CT   _C28    87     1.52902   113.47940    69.26306
   88    87 S   HC   _H64    88     1.09486   111.40806   -68.41596
   89    87 S   HC   _H65    89     1.09632   110.51500   173.91379
   90    87 S   HC   _H66    90     1.09467   111.81424    53.40098
   91    83 S   OH   _O29    91     1.42352   110.39327   -51.77286
   92    91 S   HO   _H67    92     0.97263   108.37579  -176.07998
   93    85 S   CM   _C7_    61     1.34676   127.55150   106.17728
   94    93 S   CT   _C24    62     1.50572   120.44101   178.76520
   95    94 S   HC   _H52    63     1.09494   110.28161   119.22101
   96    94 S   HC   _H53    64     1.09496   110.19932  -120.96020
   97    94 S   HC   _H54    65     1.09518   112.42414    -0.90309
   98    93 S   CT   _C25    66     1.50248   125.10793    -1.87200
   99    98 S   HC   _H55    67     1.09480   110.09875   113.90366
  100    98 S   HC   _H56    68     1.09544   110.05684  -126.78699
  101    98 S   HC   _H57    69     1.09222   113.47897    -7.22222
  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  16   6   5  14   7  23   8   6   2   1  20
  16   7   6  17   6   5   6   2   1   1   9   4   3  15   7  13
   9   4  12   9   7   4  12   6   5   5   2   1   1   9   4   3
   7   4   6   3  10   3   5   3   2   1   1   1   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    65    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    48    64    62    65    66    69    41    42    45    46    47  
   38    39    40    43    65    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    48    49    59    64    67    84    52    65    41    42    45    55  
   40    43    44    48    64    41  
   43    44    48    64    41  
   42    45    46    47    43    52    62    63    65    66    69    70    78    83  
   45    46    47    62    65    66    69  
   44    48    49    50    51    59    60    61    64    67    68    71    81    84    74    52    53    54    62    55    56    57    58  
   48    49    59    64    67    84    52    55  
   46    47    62    65    66    69  
   47    65  
   65  
   49    50    51    59    60    61    64    67    84    52    53    54    62    63    65    83    55    56    57    58  
   50    51    59    60    61    64    67    84    52    53    54    62    55    56    57    58  
   51    59    60    61    64    52    55  
   59    60    61    64    52    55  
   53    54    62    63    65    66    69    78    83    87    91    55    56    57    58    59    64  
   54    62    63    65    83    55  
   62    63    65    83    55  
   56    57    58    59    62    64  
   57    58  
   58  
    0  
   60    61    64    67    68    71    81    84    74  
   61    64    67    84  
   64    67    84  
   63    65    66    69    70    78    79    80    83    87    88    89    90    91    92  
   65    66    69    78    83    87    91  
   67    68    71    72    73    81    82    84    85    74    75    76    77  
   66    69    70    78    79    80    83    87    91  
   69    70    78    83  
   68    71    72    73    81    82    84    85    74    75    76    77  
   71    72    73    81    84    74    75    76    77  
   70    78    79    80    83    87    91  
   78    79    80    83  
   72    73    81    82    84    85    86    93    74    75    76    77  
   73    81    82    84    85    74  
   81    82    84    85    74  
   75    76    77    81    84  
   76    77  
   77  
    0  
   79    80    83    87    88    89    90    91    92  
   80    83    87    91  
   83    87    91  
   82    84    85    86    93    94    98  
   84    85    86    93  
   87    88    89    90    91    92  
   85    86    93  
   86    93    94    95    96    97    98    99   100   101  
   93    94    98  
   88    89    90    91    92  
   89    90    91  
   90    91  
   91  
   92  
    0  
   94    95    96    97    98    99   100   101  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98  
   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   0.107500   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   47   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   85   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   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   268.000  1.529
   43    44   340.000  1.090
   43    48   268.000  1.529
   43    64   268.000  1.529
   48    49   268.000  1.529
   48    52   268.000  1.529
   48    55   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    67   268.000  1.529
   64    84   320.000  1.410
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    81   268.000  1.529
   81    82   340.000  1.090
   81    84   320.000  1.410
   81    85   317.000  1.510
   85    86   340.000  1.080
   85    93   549.000  1.340
   93    94   317.000  1.510
   93    98   317.000  1.510
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    62   268.000  1.529
   62    63   340.000  1.090
   62    65   268.000  1.529
   62    83   268.000  1.529
   65    66   340.000  1.090
   65    69   317.000  1.522
   65    41   268.000  1.529
   69    70   570.000  1.229
   69    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    83   268.000  1.529
   83    87   268.000  1.529
   83    91   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   91    92   553.000  0.945
   41    42   340.000  1.090
   41    45   317.000  1.522
   45    46   570.000  1.229
   45    47   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  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    58.35000  112.70000
   33    41    65    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    48    58.35000  112.70000
   38    43    64    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    48    49    58.35000  112.70000
   43    48    52    58.35000  112.70000
   43    48    55    58.35000  112.70000
   43    64    59    58.35000  112.70000
   43    64    67    58.35000  112.70000
   43    64    84    50.00000  109.50000
   48    43    44    37.50000  110.70000
   48    49    50    37.50000  110.70000
   48    49    51    37.50000  110.70000
   48    49    59    58.35000  112.70000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    62    58.35000  112.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    58    37.50000  110.70000
   49    59    60    37.50000  110.70000
   49    59    61    37.50000  110.70000
   49    59    64    58.35000  112.70000
   51    49    50    33.00000  107.80000
   59    49    50    37.50000  110.70000
   59    49    51    37.50000  110.70000
   59    64    67    58.35000  112.70000
   59    64    84    50.00000  109.50000
   61    59    60    33.00000  107.80000
   64    43    44    37.50000  110.70000
   64    43    48    58.35000  112.70000
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    71    58.35000  112.70000
   64    67    74    58.35000  112.70000
   64    84    81    60.00000  109.50000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    81    58.35000  112.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    37.50000  110.70000
   71    67    68    37.50000  110.70000
   71    81    82    37.50000  110.70000
   71    81    84    50.00000  109.50000
   71    81    85    70.00000  112.02700
   73    71    72    33.00000  107.80000
   81    71    72    37.50000  110.70000
   81    71    73    37.50000  110.70000
   81    85    86    35.00000  117.00000
   81    85    93    70.00000  124.00000
   84    64    67    50.00000  109.50000
   84    81    82    35.00000  109.50000
   85    81    82    35.00000  109.50000
   85    81    84    85.00000  110.90400
   85    93    94    70.00000  124.00000
   85    93    98    70.00000  124.00000
   93    85    86    35.00000  120.00000
   93    94    95    35.00000  109.50000
   93    94    96    35.00000  109.50000
   93    94    97    35.00000  109.50000
   93    98    99    35.00000  109.50000
   93    98   100    35.00000  109.50000
   93    98   101    35.00000  109.50000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    93    94    65.00000  117.92700
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    71    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   52    48    49    58.35000  112.70000
   52    62    63    37.50000  110.70000
   52    62    65    58.35000  112.70000
   52    62    83    58.35000  112.70000
   54    52    53    33.00000  107.80000
   62    52    53    37.50000  110.70000
   62    52    54    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    69    63.00000  111.10000
   62    65    41    58.35000  112.70000
   62    83    78    58.35000  112.70000
   62    83    87    58.35000  112.70000
   62    83    91    50.00000  109.50000
   65    62    63    37.50000  110.70000
   65    69    70    80.00000  120.40000
   65    69    78    70.00000  116.00000
   65    41    42    37.50000  110.70000
   65    41    45    63.00000  111.10000
   69    65    66    35.00000  109.50000
   69    78    79    35.00000  109.50000
   69    78    80    35.00000  109.50000
   69    78    83    63.00000  111.10000
   78    69    70    80.00000  120.40000
   78    83    87    58.35000  112.70000
   78    83    91    50.00000  109.50000
   80    78    79    33.00000  107.80000
   83    62    63    37.50000  110.70000
   83    62    65    58.35000  112.70000
   83    78    79    37.50000  110.70000
   83    78    80    37.50000  110.70000
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87    90    37.50000  110.70000
   83    91    92    55.00000  108.50000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   91    83    87    50.00000  109.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    65    66    37.50000  110.70000
   41    65    69    63.00000  111.10000
   41    45    46    80.00000  120.40000
   41    45    47    35.00000  115.00000
   45    41    42    35.00000  109.50000
   47    45    46    35.00000  123.00000
   55    48    49    58.35000  112.70000
   55    48    52    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
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   87    83    91    92  -0.09450 -1.0 2.0
   87    83    91    92   0.21250  1.0 3.0
   91    83    87    88   0.23400  1.0 3.0
   91    83    87    89   0.23400  1.0 3.0
   91    83    87    90   0.23400  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   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   41    65    69    70   0.30150 -1.0 2.0
   41    65    69    78   0.60050  1.0 1.0
   41    65    69    78   0.05600 -1.0 2.0
   41    65    69    78   0.26150  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47   0.00000  1.0 1.0
   55    48    49    50   0.15000  1.0 3.0
   55    48    49    51   0.15000  1.0 3.0
   55    48    49    59   0.56750  1.0 1.0
   55    48    49    59  -0.07550 -1.0 2.0
   55    48    49    59   0.20000  1.0 3.0
   55    48    52    53   0.15000  1.0 3.0
   55    48    52    54   0.15000  1.0 3.0
   55    48    52    62   0.56750  1.0 1.0
   55    48    52    62  -0.07550 -1.0 2.0
   55    48    52    62   0.20000  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
   37    30    35    36  10.50000 -1.0 2.0
   81    86    85    93  15.00000 -1.0 2.0
   94    98    93    85  15.00000 -1.0 2.0
   65    78    69    70  10.50000 -1.0 2.0
   41    47    45    46  10.50000 -1.0 2.0
END
