* LIGAND DATABASE FILE (OPLS2005)
*
001     102   104    199    320     605
    1     0 S   NP   _N1_     1    29.14013    96.99528   -20.34149
    2     1 S   H    _HN1     2     1.02776    79.91352   -57.95454
    3     1 S   H    _H1_     3     1.02965    84.41148    51.84788
    4     1 S   H    _H2_     4     1.02824    44.42735   172.97141
    5     1 S   CT   _CA1     5     1.50270   155.04645   179.82306
    6     5 S   HC   _HA1     6     1.09594   104.99172    54.20073
    7     5 S   CO3  _C1_     7     1.53791   112.80314   -65.01168
    8     7 S   O2Z  _O11     8     1.26310   115.27602   -28.77785
    9     7 S   O2Z  _O12     9     1.26398   115.19800   150.35628
   10     5 S   CT   _CB1    10     1.53175   107.18740   171.69272
   11    10 S   HC   HB11    11     1.09800   108.84546   -50.70664
   12    10 S   HC   HB12    12     1.09796   110.36239    65.57536
   13    10 S   CT   _CG1    13     1.52963   113.10010  -172.12952
   14    13 S   HC   HG11    14     1.09552   110.16221   -70.31945
   15    13 S   HC   HG12    15     1.09672   110.07574    48.60867
   16    13 S   C    _CD1    16     1.51967   112.76849   168.31764
   17    16 S   O    _OE1    17     1.22709   123.35312   -11.38001
   18    16 S   N    _N2_    18     1.38578   111.49381   170.60234
   19    18 S   H    _HN2    19     1.01543   118.82537    -2.30104
   20    18 S   CT1  _CA2    20     1.46264   123.82132   177.74302
   21    20 S   HC   _HA2    21     1.09728   109.49318   -12.76619
   22    20 S   C    _C2_    22     1.53517   107.90539  -128.19449
   23    22 S   O    _O2_    23     1.23011   122.34749  -145.69975
   24    20 S   CT   _CB2    32     1.53393   111.14496   109.88838
   25    24 S   HC   HB21    33     1.09395   109.09935    50.49386
   26    24 S   HC   HB22    34     1.09491   110.85295   168.78520
   27    22 S   N    _N3_    24     1.38547   113.32956    41.66436
   28    27 S   H    _HN3    25     1.01532   118.84915    -0.66647
   29    24 S   S    _SG2    35     1.83074   111.27464   -72.80111
   30    27 S   CT   _CA3    26     1.45444   123.57614   175.28977
   31    30 S   HC   HA31    27     1.09514   109.38720    21.51445
   32    30 S   HC   HA32    28     1.09501   107.08836   138.52568
   33    29 S   CT   _C10    36     1.87829   102.45987   142.50705
   34    30 S   CO3  _C3_    29     1.52904   112.98788  -102.07501
   35    34 S   O2Z  _O31    30     1.26411   115.35224   -46.20176
   36    34 S   O2Z  _O32    31     1.26345   115.01911   134.71182
   37    33 S   CT   _C9_    37     1.55166   108.76721    55.54071
   38    37 S   HC   _H14    38     1.09720   110.73145    55.54431
   39    37 S   HC   _H15    39     1.09675   111.48889   -61.78339
   40    33 S   CM   _C11    85     1.54092   106.26699   -63.05061
   41    40 S   HC   _H16    86     1.09180   113.63880   107.55316
   42    37 S   CT   _C8_    40     1.53327   113.06614   177.66921
   43    42 S   HC   _H12    41     1.09357   108.23310    69.48240
   44    42 S   HC   _H13    42     1.09579   107.49818  -176.13102
   45    40 S   CMA  _C12    87     1.35739   130.60464   -71.32707
   46    45 S   OM   _O33    88     1.26657   126.42876     1.02431
   47    42 S   CT   _C7_    43     1.54264   114.07526   -54.05763
   48    47 S   HC   _H5_    44     1.09959   106.01621   -67.30189
   49    45 S   OS   _O34    89     1.42284   109.26677   179.43110
   50    47 S   CT   _C6_    45     1.55413   111.09702    48.56805
   51    50 S   HC   _H4_    46     1.09737   108.28182    65.55585
   52    49 S   CT   _C13    90     1.43343   115.06648   159.47474
   53    52 S   HC   _H17    91     1.09542   110.70047    60.46463
   54    52 S   HC   _H18    92     1.09652   109.45560   -60.35662
   55    33 S   CT   _C5_    47     1.57847   110.65591   173.16542
   56    55 S   HC   _H3_    48     1.09573   108.64400    64.88529
   57    50 S   CT   _C23    53     1.54234   111.12143  -178.15019
   58    57 S   HC   _H8_    54     1.09487   110.44047    68.20844
   59    52 S   CT   _C14    93     1.52084   108.24085  -179.08850
   60    59 S   HC   _H19    94     1.09391   111.45306   176.76917
   61    59 S   HC   _H20    95     1.09457   111.39514    52.64437
   62    55 S   CT   _C4_    49     1.54732   114.00562   -51.35633
   63    62 S   HC   _H9_    50     1.09271   112.70186   -66.10676
   64    62 S   HC   _H10    51     1.09395   111.08656   172.96583
   65    62 S   HC   _H11    52     1.09305   112.17739    55.78986
   66    57 S   CT   _C22    55     1.52914   112.83999   -52.44185
   67    66 S   HC   _H30    56     1.09562   109.88603   -68.40205
   68    66 S   HC   _H31    57     1.09510   107.50903   177.71236
   69    57 S   OH   _O35    83     1.42517   109.39051  -173.56992
   70    69 S   HO   _H32    84     0.97199   107.76396  -176.97780
   71    59 S   NP   _N4_    96     1.49737   108.94452   -64.89005
   72    71 S   H    _H21    97     1.02936   108.86363    55.21686
   73    71 S   H    _H22    98     1.03525   109.36951   -59.37088
   74    66 S   CT   _C21    58     1.53919   111.12176    55.95127
   75    74 S   HC   _H7_    59     1.10308   105.19125    53.57051
   76    71 S   CT   _C15    99     1.48412   114.54613   178.30534
   77    76 S   HC   _H23   100     1.09244   108.34375    60.34886
   78    76 S   HC   _H24   101     1.09220   107.42492   179.82196
   79    76 S   HC   _H25   102     1.09242   108.37100   -60.68960
   80    74 S   CT   _C20    60     1.57056   114.73389   167.23271
   81    80 S   CT   _C19    61     1.55132   108.90953  -178.20082
   82    81 S   HC   _H6_    62     1.09860   108.21091    66.83888
   83    80 S   CO4  _C25    76     1.53193   111.76873    56.23035
   84    83 S   O    _O36    77     1.22697   125.49023   123.96247
   85    83 S   HC   _H36    78     1.10392   115.37119   -57.36891
   86    80 S   CT   _C24    79     1.54897   110.75479   -59.73114
   87    86 S   HC   _H33    80     1.09552   111.21326   -54.12484
   88    86 S   HC   _H34    81     1.09646   111.35310  -174.25997
   89    86 S   HC   _H35    82     1.09492   112.33635    67.12325
   90    81 S   CT   _C18    63     1.52475   113.53108   -52.71289
   91    90 S   HC   _H28    64     1.09537   110.81258   -68.01470
   92    90 S   HC   _H29    65     1.09762   109.26890   177.02540
   93    81 S   OH   _O37    74     1.42576   111.26625  -177.17465
   94    93 S   HO   _H37    75     0.97222   107.80940  -179.96574
   95    90 S   CT   _C17    66     1.52492   111.54632    56.31700
   96    95 S   HC   _H26    67     1.09815   108.27779    66.00693
   97    95 S   HC   _H27    68     1.09643   107.95387  -179.24411
   98    47 S   CT   _C16    69     1.58931   113.56981   176.56202
   99    98 S   CT   _C26    70     1.55046   110.29309   -60.03444
  100    99 S   HC   _H38    71     1.09247   112.85134   -58.29963
  101    99 S   HC   _H39    72     1.08995   112.68950  -179.63363
  102    99 S   HC   _H40    73     1.09449   111.52767    62.45368
  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  12   5   4   3
  21   2   1   1  15   7   6  10   4  12   5   4   7   2  22   8
   7  18   8   9   5   4  10   5  11   6   9   5   4   3   2   1
   1  13   6   5   2   1   6   5   4  21   7   3   2   1   1  17
  17   8   9   2   1   6   2   1   1   9   6   5   2   1   7   3
   2   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    50    55    56    62    40    41    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    44    47    50    51    55    56    62    63    64    65    57    40    41    45    46    49  
   35    36  
   36  
    0  
   38    39    42    43    44    47    48    50    55    56    62    98    40    41    45  
   39    42    43    44    47    55    40  
   42    43    44    47    55    40  
   41    45    46    49    52    42    50    55    56    62  
   45    46    49    55  
   43    44    47    48    50    51    55    57    74    95    98    99  
   44    47    48    50    98  
   47    48    50    98  
   46    49    52    53    54    59    55  
   49    52  
   48    50    51    55    56    62    57    58    66    74    75    80    90    95    96    97    98    99   100   101   102    69  
   50    51    55    57    74    95    98    99  
   52    53    54    59    60    61    71  
   51    55    56    62    63    64    65    57    58    66    67    68    74    95    98    99    69    70  
   55    56    62    57    58    66    98    69  
   53    54    59    60    61    71    72    73    76  
   54    59    60    61    71  
   59    60    61    71  
   56    62    63    64    65    57    58    66    98    69  
   62    63    64    65    57  
   58    66    67    68    74    75    80    98    69    70    62  
   66    67    68    74    69    70  
   60    61    71    72    73    76    77    78    79  
   61    71    72    73    76  
   71    72    73    76  
   63    64    65  
   64    65  
   65  
    0  
   67    68    74    75    80    81    95    98    99    83    86    69    70  
   68    74    75    80    98    69  
   74    75    80    98    69  
   70    74  
    0  
   72    73    76    77    78    79  
   73    76    77    78    79  
   76    77    78    79  
   75    80    81    82    90    95    96    97    98    99   100   101   102    93    83    84    85    86    87    88    89  
   80    81    95    98    99    83    86  
   77    78    79  
   78    79  
   79  
    0  
   81    82    90    91    92    95    98    99    93    94    83    84    85    86    87    88    89  
   82    90    91    92    95    96    97    98    93    94    83    84    85    86    87    88    89  
   90    91    92    95    93    94    83    86  
   84    85    86    87    88    89    90    93    98  
   85    86  
   86  
   87    88    89    90    93    98  
   88    89  
   89  
    0  
   91    92    95    96    97    98    99    93    94  
   92    95    96    97    98    93  
   95    96    97    98    93  
   94    95  
    0  
   96    97    98    99   100   101   102  
   97    98    99  
   98    99  
   99   100   101   102  
  100   101   102  
  101   102  
  102  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.054400   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   72   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   73   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   85   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   99   3.5000   0.0660  -0.180000   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   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    55   268.000  1.529
   33    40   317.000  1.510
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    50   268.000  1.529
   47    98   268.000  1.529
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    57   268.000  1.529
   55    56   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   57    58   340.000  1.090
   57    66   268.000  1.529
   57    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    80   268.000  1.529
   74    98   268.000  1.529
   80    81   268.000  1.529
   80    83   317.000  1.522
   80    86   268.000  1.529
   81    82   340.000  1.090
   81    90   268.000  1.529
   81    93   320.000  1.410
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   268.000  1.529
   98    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   93    94   553.000  0.945
   83    84   570.000  1.229
   83    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   69    70   553.000  0.945
   40    41   340.000  1.080
   40    45   465.000  1.376
   45    46   745.000  1.250
   45    49   440.000  1.360
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    71   367.000  1.471
   71    72   434.000  1.010
   71    73   434.000  1.010
   71    76   367.000  1.471
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    55    75.00000  111.63000
   29    33    40    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    55    50    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    62    58.35000  112.70000
   33    40    41    35.00000  117.00000
   33    40    45    70.00000  124.00000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    47    58.35000  112.70000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    50    58.35000  112.70000
   42    47    98    58.35000  112.70000
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    55    58.35000  112.70000
   47    50    57    58.35000  112.70000
   47    98    74    58.35000  112.70000
   47    98    95    58.35000  112.70000
   47    98    99    58.35000  112.70000
   50    47    48    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    62    58.35000  112.70000
   50    57    58    37.50000  110.70000
   50    57    66    58.35000  112.70000
   50    57    69    50.00000  109.50000
   55    33    37    58.35000  112.70000
   55    50    51    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    65    37.50000  110.70000
   62    55    56    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    55    58.35000  112.70000
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    74    58.35000  112.70000
   57    69    70    55.00000  108.50000
   66    57    58    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    80    58.35000  112.70000
   66    74    98    58.35000  112.70000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    80    81    58.35000  112.70000
   74    80    83    63.00000  111.10000
   74    80    86    58.35000  112.70000
   74    98    95    58.35000  112.70000
   74    98    99    58.35000  112.70000
   80    74    75    37.50000  110.70000
   80    81    82    37.50000  110.70000
   80    81    90    58.35000  112.70000
   80    81    93    50.00000  109.50000
   80    83    84    80.00000  120.40000
   80    83    85    35.00000  115.00000
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    89    37.50000  110.70000
   81    90    91    37.50000  110.70000
   81    90    92    37.50000  110.70000
   81    90    95    58.35000  112.70000
   81    93    94    55.00000  108.50000
   90    81    82    37.50000  110.70000
   90    95    96    37.50000  110.70000
   90    95    97    37.50000  110.70000
   90    95    98    58.35000  112.70000
   92    90    91    33.00000  107.80000
   95    90    91    37.50000  110.70000
   95    90    92    37.50000  110.70000
   95    98    99    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    47    48    37.50000  110.70000
   98    47    50    58.35000  112.70000
   98    74    75    37.50000  110.70000
   98    74    80    58.35000  112.70000
   98    95    96    37.50000  110.70000
   98    95    97    37.50000  110.70000
   98    99   100    37.50000  110.70000
   98    99   101    37.50000  110.70000
   98    99   102    37.50000  110.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   93    81    82    35.00000  109.50000
   93    81    90    50.00000  109.50000
   83    80    81    63.00000  111.10000
   85    83    84    35.00000  123.00000
   86    80    81    58.35000  112.70000
   86    80    83    63.00000  111.10000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   69    57    58    35.00000  109.50000
   69    57    66    50.00000  109.50000
   40    33    37    70.00000  112.02700
   40    33    55    70.00000  112.02700
   40    45    46    65.00000  137.10300
   40    45    49    80.00000  120.01400
   45    40    41    40.00000  120.50800
   45    49    52    90.00000  111.18400
   49    45    46    65.00000  121.00000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    59    50.00000  109.50000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    71    80.00000  111.20000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    71    72    35.00000  109.50000
   59    71    73    35.00000  109.50000
   59    71    76    75.00000  113.01200
   61    59    60    33.00000  107.80000
   71    59    60    35.00000  109.50000
   71    59    61    35.00000  109.50000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   73    71    72    35.00000  109.50000
   76    71    72    35.00000  109.50000
   76    71    73    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
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   54    52    59    61   0.15000  1.0 3.0
   54    52    59    71   0.19200  1.0 3.0
   59    71    76    77   0.15000  1.0 3.0
   59    71    76    78   0.15000  1.0 3.0
   59    71    76    79   0.15000  1.0 3.0
   60    59    71    72   0.13050  1.0 3.0
   60    59    71    73   0.13050  1.0 3.0
   60    59    71    76   0.15000  1.0 3.0
   61    59    71    72   0.13050  1.0 3.0
   61    59    71    73   0.13050  1.0 3.0
   61    59    71    76   0.15000  1.0 3.0
   72    71    76    77   0.13050  1.0 3.0
   72    71    76    78   0.13050  1.0 3.0
   72    71    76    79   0.13050  1.0 3.0
   73    71    76    77   0.13050  1.0 3.0
   73    71    76    78   0.13050  1.0 3.0
   73    71    76    79   0.13050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   80    85    83    84  10.50000 -1.0 2.0
   33    41    40    45  15.00000 -1.0 2.0
   46    49    45    40  15.00000 -1.0 2.0
END
