* LIGAND DATABASE FILE (OPLS2005)
*
001     103   109    210    347     619
    1     0 S   NP   _N1_     1    28.92846    95.96692   -18.74939
    2     1 S   H    _HN1     2     1.02779    73.12125   -64.62051
    3     1 S   H    _H1_     3     1.02944    93.70637    43.49213
    4     1 S   H    _H2_     4     1.02838    43.90588   154.27630
    5     1 S   CT   _CA1     5     1.50111   150.78535  -170.21242
    6     5 S   HC   _HA1     6     1.09574   105.20814    33.44271
    7     5 S   CO3  _C1_     7     1.53889   112.58882   -86.65130
    8     7 S   O2Z  _O11     8     1.26364   114.98460   -38.33813
    9     7 S   O2Z  _O12     9     1.26262   115.03700   141.08053
   10     5 S   CT   _CB1    10     1.53162   107.43223   151.41292
   11    10 S   HC   HB11    11     1.09802   109.49483   -50.02158
   12    10 S   HC   HB12    12     1.09816   110.39038    66.70387
   13    10 S   CT   _CG1    13     1.52864   112.43269  -171.15182
   14    13 S   HC   HG11    14     1.09531   109.96917   -62.34920
   15    13 S   HC   HG12    15     1.09639   110.16712    56.66402
   16    13 S   C    _CD1    16     1.51773   112.74400   177.21786
   17    16 S   O    _OE1    17     1.22688   123.33759    -9.51899
   18    16 S   N    _N2_    18     1.38507   111.31150   170.73639
   19    18 S   H    _HN2    19     1.01842   118.59351     0.12820
   20    18 S   CT1  _CA2    20     1.46157   124.15674  -176.51232
   21    20 S   HC   _HA2    21     1.09701   109.29832   -18.58671
   22    20 S   C    _C2_    22     1.53484   108.28375  -134.75891
   23    22 S   O    _O2_    23     1.23028   122.19120  -149.83670
   24    20 S   CT   _CB2    32     1.53834   111.10766   103.80357
   25    24 S   HC   HB21    33     1.08926   108.47598    57.32868
   26    24 S   HC   HB22    34     1.09473   110.27603   175.14683
   27    22 S   N    _N3_    24     1.38503   113.56136    37.41331
   28    27 S   H    _HN3    25     1.01533   118.83862    -0.60198
   29    24 S   S    _SG2    35     1.82802   111.16108   -66.02144
   30    27 S   CT   _CA3    26     1.45385   123.36784   175.94097
   31    30 S   HC   HA31    27     1.09539   108.98608    28.50165
   32    30 S   HC   HA32    28     1.09488   107.14061   145.39085
   33    29 S   CT   _C22    36     1.89363   105.27237   143.21846
   34    30 S   CO3  _C3_    29     1.52919   113.37632   -94.93696
   35    34 S   O2Z  _O31    30     1.26388   115.52072   -42.60871
   36    34 S   O2Z  _O32    31     1.26378   114.90566   138.44798
   37    33 S   CT   _C6_    37     1.54678   107.81708    72.21525
   38    37 S   HC   _H39    38     1.09404   112.47836   167.66308
   39    37 S   HC   _H40    39     1.09657   111.13542    48.53653
   40    33 S   CT   _C20    62     1.62339   109.77017  -167.66757
   41    37 S   CO4  _C4_    40     1.50128   113.40852   -74.17808
   42    41 S   O    _O25    41     1.22608   122.69232   136.34168
   43    40 S   CT   _C24    63     1.56400   109.21757  -175.64329
   44    43 S   HC   _H56    64     1.09526   111.49691    73.59039
   45    43 S   HC   _H57    65     1.09249   113.28133   -47.44175
   46    43 S   HC   _H58    66     1.08994   112.86100  -168.21720
   47    41 S   OS   _O28    42     1.35278   114.96832   -45.76655
   48    47 S   CT   _C17    43     1.45351   121.01020    -2.68073
   49    48 S   HC   _H51    44     1.09788   106.93950   -71.55123
   50    33 S   C3T  _C21    45     1.53544   110.79804   -47.93830
   51    48 S   CT   _C27    75     1.55032   106.72656   173.06217
   52    51 S   HC   _H64    76     1.09504   109.66039  -177.26870
   53    50 S   C3T  _C11    46     1.53853   118.05614   -94.58791
   54    53 S   HC   _H45    47     1.08101   120.45982  -149.54303
   55    51 S   CT   _C25    77     1.53146   110.20693    63.13556
   56    55 S   HC   _H59    78     1.09508   111.43516   -71.66989
   57    55 S   HC   _H60    79     1.09447   110.78557   169.33572
   58    55 S   HC   _H61    80     1.09460   111.28842    50.22445
   59    51 S   OS1  _O39    81     1.43406   108.05190   -58.02890
   60    53 S   CT   _C8_    48     1.49023   123.56428     8.10784
   61    60 S   HC   _H42    49     1.09637   108.36793   117.70618
   62    50 S   O3T  _O30    74     1.43367   117.18028   -29.19539
   63    59 S   CO1  _C18    82     1.43246   115.28775  -168.43822
   64    63 S   HC   _H52    83     1.09800   109.22044    37.29346
   65    60 S   CT   _C7_    50     1.51679   115.04637    -7.58840
   66    65 S   HC   _H41    51     1.09634   108.55465    90.96104
   67    63 S   CT   _C15    84     1.53457   107.02038   156.56168
   68    67 S   HC   _H49    85     1.09666   109.88344    51.42954
   69    65 S   CT   _C19    52     1.54676   102.87336  -155.28894
   70    67 S   CT   _C13    86     1.53008   111.61664   173.51139
   71    70 S   HC   _H47    87     1.09667   110.24150    74.11174
   72    67 S   OH5  _O37   102     1.42906   109.93662   -65.22535
   73    72 S   HO   _H68   103     0.97306   108.33663   -60.52718
   74    69 S   CO4  _C5_    53     1.52055   101.19888    28.20422
   75    74 S   O    _O26    54     1.22225   125.78540   167.33331
   76    69 S   CT   _C12    56     1.55397   115.31828   153.26057
   77    76 S   HC   _H46    57     1.09700   109.51744   137.01516
   78    69 S   CT   _C23    70     1.54612   109.64180   -84.16028
   79    78 S   HC   _H53    71     1.09574   111.02196   -65.67968
   80    78 S   HC   _H54    72     1.09654   110.89106   174.22681
   81    78 S   HC   _H55    73     1.09449   112.35365    55.13148
   82    70 S   CT   _C14    88     1.53115   111.40273   -48.60405
   83    82 S   HC   _H48    89     1.09704   109.10156   -71.59295
   84    70 S   OH5  _O35   100     1.42956   109.54673  -170.06742
   85    84 S   HO   _H66   101     0.97262   108.13237    60.72631
   86    60 S   OS   _O27    55     1.43538   110.70566  -125.51648
   87    76 S   C3T  _C9_    58     1.50433   112.99856    18.47641
   88    87 S   HC   _H43    59     1.08111   114.09316   116.04707
   89    76 S   OH   _O34    68     1.42681   113.23855  -106.60473
   90    89 S   HO   _H65    69     0.97344   107.73338   -59.81763
   91    82 S   CT   _C16    90     1.53179   110.51945    49.63515
   92    91 S   HC   _H50    91     1.09834   110.98337    63.89224
   93    82 S   OH5  _O36    98     1.42592   109.70488   171.48978
   94    93 S   HO   _H67    99     0.97254   108.21652   -57.63813
   95    87 S   C3T  _C10    60     1.51223   121.06482   -36.49669
   96    95 S   HC   _H44    61     1.07904   117.61436   152.27589
   97    63 S   OS1  _O33    92     1.42740   110.56153   -84.24204
   98    91 S   CT   _C26    93     1.52964   111.58854  -175.22250
   99    98 S   HC   _H62    94     1.09502   111.01427    69.47822
  100    98 S   HC   _H63    95     1.09394   111.58025   -52.96920
  101    87 S   O3T  _O29    67     1.43390   115.01822  -102.86806
  102    98 S   OH5  _O38    96     1.42519   108.99749  -171.88724
  103   102 S   HO   _H69    97     0.97243   107.00023  -177.97841
  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  13   5   4   3
  26   2   1   1  13   6   5  23   6   2  12   4   3   2   9  14
   7  12  12   6   9   5   5   3   2   1   8  11   6   2  13   6
  16   6  12   7  15  13   7   4   1  10   3  13   7   6   2   1
   1  12   7   3   1   1   6   4   3   1   9   6   3   1   2   1
   4   4   3   2   1   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    50    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    48    50    53    65    95    40    43    62  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    47    48    49    50    53    54    60    65    66    69    87    95    96    40    43    44    45    46   101    62    51  
   35    36  
   36  
    0  
   38    39    41    42    47    48    50    53    65    95    40    43    62  
   39    41    42    47    50    40  
   41    42    47    50    40  
   43    44    45    46   101    78    62    41    48    50    53    60    61    65    66    69    74    76    86    87    88    95    96  
   42    47    48    49    50    51  
   47    48  
   44    45    46   101    50    60    65    66    69    87    95    96  
   45    46    65    95  
   46    65    95  
   65    95  
   48    49    50    53    62    51    52    55    59  
   49    50    53    54    60    62    51    52    55    56    57    58    59    63  
   50    53    62    51    52    55    59  
   53    54    60    61    65    86    95    62    51    52    55    59  
   52    55    56    57    58    59    63    64    67    97    53    62  
   55    56    57    58    59    63  
   54    60    61    65    66    69    74    86    62  
   60    61    65    86    62  
   56    57    58    59    63  
   57    58    59  
   58    59  
   59  
   63    64    67    68    70    91    97    72  
   61    65    66    69    74    75    86    76    95    78    62  
   65    66    69    74    86    62  
   65    86  
   64    67    68    70    71    82    91    92    97    98    84    72    73  
   67    68    70    91    97    72  
   66    69    74    75    86    76    77    87    95    96   101    89    78    79    80    81  
   69    74    86    76    95    78  
   68    70    71    82    83    91    97    93    84    85    72    73  
   70    71    82    97    84    72    73  
   74    75    86    76    77    87    88    95   101    89    90    78    79    80    81  
   71    82    83    91    92    97    98    93    94    84    85    72    73  
   82    83    91    93    84    85    72  
   73    82    84    97  
    0  
   75    86    76    77    87    89    78    79    80    81  
   86    76    78  
   77    87    88    95    96   101    89    90    78    79    80    81    86  
   87    88    95   101    89    90    78  
   79    80    81    86    87    89  
   80    81  
   81  
    0  
   83    91    92    97    98    99   100   102    93    94    84    85  
   91    92    97    98    93    94    84  
   85    91    93  
    0  
    0  
   88    95    96   101    89    90  
   95    96   101    89  
   90    95   101  
    0  
   92    97    98    99   100   102   103    93    94  
   97    98    99   100   102    93  
   94    97    98  
    0  
   96   101  
  101  
   98    99   100   102  
   99   100   102   103  
  100   102   103  
  102   103  
    0  
  103  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   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   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.5000   0.0660   0.145000   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   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
  102   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  103   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    50   275.000  1.510
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   275.000  1.510
   48    51   268.000  1.529
   50    53   260.000  1.509
   50    62   335.000  1.432
   53    54   340.000  1.088
   53    60   275.000  1.510
   53    62   335.000  1.432
   60    61   340.000  1.090
   60    65   268.000  1.529
   60    86   320.000  1.410
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    40   268.000  1.529
   69    74   317.000  1.522
   69    76   268.000  1.529
   69    78   268.000  1.529
   74    75   570.000  1.229
   74    86   214.000  1.327
   76    77   340.000  1.090
   76    87   275.000  1.510
   76    89   320.000  1.410
   87    88   340.000  1.088
   87    95   260.000  1.509
   87   101   335.000  1.432
   95    96   340.000  1.088
   95    40   275.000  1.510
   95   101   335.000  1.432
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   89    90   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    59   335.000  1.422
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    63   370.000  1.399
   63    64   360.000  1.097
   63    67   255.000  1.525
   63    97   370.000  1.399
   67    68   340.000  1.090
   67    70   268.000  1.529
   67    72   355.000  1.421
   70    71   340.000  1.090
   70    82   268.000  1.529
   70    84   355.000  1.421
   82    83   340.000  1.090
   82    91   268.000  1.529
   82    93   355.000  1.421
   91    92   340.000  1.090
   91    97   335.000  1.422
   91    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   102   355.000  1.421
  102   103   580.000  0.967
   93    94   580.000  0.967
   84    85   580.000  0.967
   72    73   580.000  0.967
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    50    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    50    48    58.35000  112.70000
   33    50    53    60.00000  120.94000
   33    50    62    80.00000  116.47100
   33    40    65    58.35000  112.70000
   33    40    95    70.00000  112.37300
   33    40    43    58.35000  112.70000
   37    41    42    80.00000  120.40000
   37    41    47    81.00000  111.40000
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    50.00000  109.50000
   47    48    51    50.00000  109.50000
   48    50    53    60.00000  120.94000
   48    50    62    80.00000  116.47100
   48    51    52    37.50000  110.70000
   48    51    55    58.35000  112.70000
   48    51    59    95.00000  107.88500
   50    33    37    70.00000  112.37300
   50    48    49    45.00000  109.38400
   50    53    54    37.50000  117.20000
   50    53    60    60.00000  120.94000
   50    53    62    15.00000   60.43100
   50    62    53    15.00000   59.14900
   53    60    61    45.00000  109.38400
   53    60    65    70.00000  112.37300
   53    60    86    50.00000  109.50000
   60    53    54    40.00000  115.04500
   60    65    66    37.50000  110.70000
   60    65    69    58.35000  112.70000
   60    65    40    58.35000  112.70000
   60    86    74    83.00000  116.90000
   65    60    61    37.50000  110.70000
   65    69    74    63.00000  111.10000
   65    69    76    58.35000  112.70000
   65    69    78    58.35000  112.70000
   65    40    95    70.00000  112.37300
   65    40    43    58.35000  112.70000
   69    65    66    37.50000  110.70000
   69    74    75    80.00000  120.40000
   69    74    86    81.00000  111.40000
   69    76    77    37.50000  110.70000
   69    76    87    70.00000  112.37300
   69    76    89    50.00000  109.50000
   69    78    79    37.50000  110.70000
   69    78    80    37.50000  110.70000
   69    78    81    37.50000  110.70000
   86    60    61    35.00000  109.50000
   86    60    65    50.00000  109.50000
   86    74    75    83.00000  123.40000
   76    69    74    63.00000  111.10000
   76    87    88    40.00000  115.04500
   76    87    95    60.00000  120.94000
   76    87   101    80.00000  116.47100
   76    89    90    55.00000  108.50000
   87    76    77    45.00000  109.38400
   87    95    96    37.50000  117.20000
   87    95    40    60.00000  120.94000
   87    95   101    15.00000   60.43100
   87   101    95    15.00000   59.14900
   95    87    88    37.50000  117.20000
   95    40    43    70.00000  112.37300
   40    33    37    58.35000  112.70000
   40    33    50    70.00000  112.37300
   40    65    66    37.50000  110.70000
   40    65    69    58.35000  112.70000
   40    95    96    40.00000  115.04500
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
  101    87    88    50.00000  114.27700
  101    87    95    15.00000   60.43100
  101    95    96    50.00000  114.27700
  101    95    40    80.00000  116.47100
   89    76    77    35.00000  109.50000
   89    76    87    50.00000  109.50000
   78    69    74    63.00000  111.10000
   78    69    76    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   62    50    53    15.00000   60.43100
   62    53    54    50.00000  114.27700
   62    53    60    80.00000  116.47100
   51    48    49    37.50000  110.70000
   51    48    50    70.00000  112.37300
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   51    59    63    90.00000  112.10700
   55    51    52    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    51    52    55.00000  108.98800
   59    51    55    95.00000  107.88500
   59    63    64    60.00000  105.75400
   59    63    67    90.00000  109.70700
   59    63    97   110.00000  113.16000
   63    67    68    45.00000  109.54000
   63    67    70    70.00000  111.10000
   63    67    72    90.00000  109.42000
   63    97    91    90.00000  112.10700
   67    63    64    45.00000  111.65000
   67    70    71    37.50000  110.70000
   67    70    82    58.35000  112.70000
   67    70    84    90.00000  111.45300
   67    72    73    65.00000  108.53500
   70    67    68    37.50000  110.70000
   70    82    83    37.50000  110.70000
   70    82    91    58.35000  112.70000
   70    82    93    90.00000  111.45300
   70    84    85    65.00000  108.53500
   82    70    71    37.50000  110.70000
   82    91    92    37.50000  110.70000
   82    91    97    95.00000  107.88500
   82    91    98    58.35000  112.70000
   82    93    94    65.00000  108.53500
   91    82    83    37.50000  110.70000
   91    98    99    37.50000  110.70000
   91    98   100    37.50000  110.70000
   91    98   102    90.00000  111.45300
   97    63    64    60.00000  105.75400
   97    63    67    90.00000  109.70700
   97    91    92    55.00000  108.98800
   98    91    92    37.50000  110.70000
   98    91    97    95.00000  107.88500
   98   102   103    65.00000  108.53500
  100    98    99    33.00000  107.80000
  102    98    99    60.00000  109.39000
  102    98   100    60.00000  109.39000
   93    82    83    60.00000  109.39000
   93    82    91    90.00000  111.45300
   84    70    71    60.00000  109.39000
   84    70    82    90.00000  111.45300
   72    67    68    60.00000  109.39000
   72    67    70    90.00000  111.45300
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
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   78    69    74    86   0.36750  1.0 3.0
   78    69    76    77   0.15000  1.0 3.0
   78    69    76    87   0.47050  1.0 1.0
   78    69    76    87   0.03900 -1.0 2.0
   78    69    76    87   0.20100  1.0 3.0
   78    69    76    89   0.86500  1.0 1.0
   78    69    76    89  -0.17500 -1.0 2.0
   78    69    76    89   0.20800  1.0 3.0
   62    50   -53    54   0.23400  1.0 3.0
   62    50   -53    60   0.02550  1.0 1.0
   62    50   -53    60  -0.02600 -1.0 2.0
   62    50   -53    60   1.20400  1.0 3.0
   62    53    60    61   0.23400  1.0 3.0
   62    53    60    65   0.02550  1.0 1.0
   62    53    60    65  -0.02600 -1.0 2.0
   62    53    60    65   1.20400  1.0 3.0
   62    53    60    86   1.11900  1.0 1.0
   62    53    60    86  -1.16350 -1.0 2.0
   62    53    60    86  -0.34150  1.0 3.0
   51    48    50    33   0.56750  1.0 1.0
   51    48    50    33  -0.07550 -1.0 2.0
   51    48    50    33   0.20000  1.0 3.0
   51    48    50    53   0.07850  1.0 1.0
   51    48    50    53  -0.03950 -1.0 2.0
   51    48    50    53   0.67350  1.0 3.0
   51    48    50    62   0.02550  1.0 1.0
   51    48    50    62  -0.02600 -1.0 2.0
   51    48    50    62   1.20400  1.0 3.0
   51    59    63    64   0.37050  1.0 3.0
   51    59    63    67   0.06250  1.0 1.0
   51    59    63    67  -0.01100 -1.0 2.0
   51    59    63    67   0.28050  1.0 3.0
   51    59    63    97  -0.12700  1.0 1.0
   51    59    63    97  -1.16200 -1.0 2.0
   51    59    63    97   0.58800  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   52    51    59    63   0.37050  1.0 3.0
   55    51    59    63   0.06250  1.0 1.0
   55    51    59    63  -0.01100 -1.0 2.0
   55    51    59    63   0.28050  1.0 3.0
   59    51    55    56   0.23400  1.0 3.0
   59    51    55    57   0.23400  1.0 3.0
   59    51    55    58   0.23400  1.0 3.0
   59    63    67    68   0.23400  1.0 3.0
   59    63    67    70   0.62750  1.0 1.0
   59    63    67    70  -0.30950 -1.0 2.0
   59    63    67    70   0.27300  1.0 3.0
   59    63    67    72   1.51850  1.0 1.0
   59    63    97    91  -0.70400  1.0 1.0
   59    63    97    91  -0.90350 -1.0 2.0
   63    67    70    71   0.15000  1.0 3.0
   63    67    70    82   0.56750  1.0 1.0
   63    67    70    82  -0.07550 -1.0 2.0
   63    67    70    82   0.20000  1.0 3.0
   63    67    70    84  -0.47750  1.0 1.0
   63    67    72    73   0.29150  1.0 1.0
   63    67    72    73  -0.28350 -1.0 2.0
   63    67    72    73   0.43600  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   64    63    67    72   0.23400  1.0 3.0
   64    63    97    91   0.37050  1.0 3.0
   67    63    97    91   0.06250  1.0 1.0
   67    63    97    91  -0.01100 -1.0 2.0
   67    63    97    91   0.28050  1.0 3.0
   67    70    82    83   0.15000  1.0 3.0
   67    70   -82    91   0.56750  1.0 1.0
   67    70   -82    91  -0.07550 -1.0 2.0
   67    70   -82    91   0.20000  1.0 3.0
   67    70    82    93  -0.47750  1.0 1.0
   67    70    84    85   0.29150  1.0 1.0
   67    70    84    85  -0.28350 -1.0 2.0
   67    70    84    85   0.43600  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    82   0.15000  1.0 3.0
   68    67    70    84   0.23400  1.0 3.0
   68    67    72    73   0.19450  1.0 3.0
   70    67    72    73   0.29150  1.0 1.0
   70    67    72    73  -0.28350 -1.0 2.0
   70    67    72    73   0.43600  1.0 3.0
   70    82    91    92   0.15000  1.0 3.0
   70    82    91    97   0.62750  1.0 1.0
   70    82    91    97  -0.30950 -1.0 2.0
   70    82    91    97   0.27300  1.0 3.0
   70    82    91    98   0.56750  1.0 1.0
   70    82    91    98  -0.07550 -1.0 2.0
   70    82    91    98   0.20000  1.0 3.0
   70    82    93    94   0.29150  1.0 1.0
   70    82    93    94  -0.28350 -1.0 2.0
   70    82    93    94   0.43600  1.0 3.0
   71    70    82    83   0.15000  1.0 3.0
   71    70    82    91   0.15000  1.0 3.0
   71    70    82    93   0.23400  1.0 3.0
   71    70    84    85   0.19450  1.0 3.0
   82    70    84    85   0.29150  1.0 1.0
   82    70    84    85  -0.28350 -1.0 2.0
   82    70    84    85   0.43600  1.0 3.0
   82    91   -97    63   0.06250  1.0 1.0
   82    91   -97    63  -0.01100 -1.0 2.0
   82    91   -97    63   0.28050  1.0 3.0
   82    91    98    99   0.15000  1.0 3.0
   82    91    98   100   0.15000  1.0 3.0
   82    91    98   102  -0.47750  1.0 1.0
   83    82    91    92   0.15000  1.0 3.0
   83    82    91    97   0.23400  1.0 3.0
   83    82    91    98   0.15000  1.0 3.0
   83    82    93    94   0.19450  1.0 3.0
   91    82    93    94   0.29150  1.0 1.0
   91    82    93    94  -0.28350 -1.0 2.0
   91    82    93    94   0.43600  1.0 3.0
   91    98   102   103   0.29150  1.0 1.0
   91    98   102   103  -0.28350 -1.0 2.0
   91    98   102   103   0.43600  1.0 3.0
   92    91    97    63   0.37050  1.0 3.0
   92    91    98    99   0.15000  1.0 3.0
   92    91    98   100   0.15000  1.0 3.0
   92    91    98   102   0.23400  1.0 3.0
   97    63    67    68   0.23400  1.0 3.0
   97    63   -67    70   0.62750  1.0 1.0
   97    63   -67    70  -0.30950 -1.0 2.0
   97    63   -67    70   0.27300  1.0 3.0
   97    63    67    72   1.51850  1.0 1.0
   97    91    98    99   0.23400  1.0 3.0
   97    91    98   100   0.23400  1.0 3.0
   97    91    98   102   1.51850  1.0 1.0
   98    91    97    63   0.06250  1.0 1.0
   98    91    97    63  -0.01100 -1.0 2.0
   98    91    97    63   0.28050  1.0 3.0
   99    98   102   103   0.19450  1.0 3.0
  100    98   102   103   0.19450  1.0 3.0
   93    82    91    92   0.23400  1.0 3.0
   93    82    91    97   1.51850  1.0 1.0
   93    82    91    98  -0.47750  1.0 1.0
   84    70    82    83   0.23400  1.0 3.0
   84    70    82    91  -0.47750  1.0 1.0
   84    70    82    93   3.77950  1.0 1.0
   72    67    70    71   0.23400  1.0 3.0
   72    67    70    82  -0.47750  1.0 1.0
   72    67    70    84   3.77950  1.0 1.0
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
   36    30    34    35  10.50000 -1.0 2.0
   37    47    41    42  10.50000 -1.0 2.0
   69    86    74    75  10.50000 -1.0 2.0
END
