* LIGAND DATABASE FILE (OPLS2005)
*
001     113   116    228    372     695
    1     0 S   NP   _N1_     1    28.50862    94.37779   -24.10161
    2     1 S   H    _HN1     2     1.02949    83.86897    16.75450
    3     1 S   H    _H1_     3     1.02826    25.75082   171.37582
    4     1 S   H    _H2_     4     1.02783   106.06150   -90.62746
    5     1 S   CT   _CA1     5     1.50120   131.23996   128.59443
    6     5 S   HC   _HA1     6     1.09574   105.19221    77.67613
    7     5 S   CO3  _C1_     7     1.53780   112.37381   -42.54056
    8     7 S   O2Z  _O11     8     1.26374   115.00179   -44.16696
    9     7 S   O2Z  _O12     9     1.26230   114.93000   134.84150
   10     5 S   CT   _CB1    10     1.53066   107.40314  -164.38750
   11    10 S   HC   HB11    11     1.09835   109.35563   -49.80836
   12    10 S   HC   HB12    12     1.09812   110.46606    66.78561
   13    10 S   CT   _CG1    13     1.52995   112.61837  -170.78113
   14    13 S   HC   HG11    14     1.09589   110.63668   -65.68722
   15    13 S   HC   HG12    15     1.09668   109.80116    53.55831
   16    13 S   C    _CD1    16     1.51810   112.15333   173.98549
   17    16 S   O    _OE1    17     1.22739   123.27275     7.02216
   18    16 S   N    _N2_    18     1.38633   111.71019  -173.10482
   19    18 S   H    _HN2    19     1.01591   118.93601     1.52534
   20    18 S   CT1  _CA2    20     1.46240   123.38898   177.95187
   21    20 S   HC   _HA2    21     1.09737   109.39775     2.33028
   22    20 S   C    _C2_    22     1.53530   108.65045  -113.21667
   23    22 S   O    _O2_    23     1.23061   122.26285  -147.94286
   24    20 S   CT   _CB2    32     1.53469   111.43990   124.36254
   25    24 S   HC   HB21    33     1.09317   109.32842    57.35668
   26    24 S   HC   HB22    34     1.09473   109.83012   176.01857
   27    22 S   N    _N3_    24     1.38326   113.71128    39.51562
   28    27 S   H    _HN3    25     1.01589   119.58079    -3.38703
   29    24 S   S    _SG2    35     1.82980   110.91569   -64.82068
   30    27 S   CT   _CA3    26     1.45284   123.19262   177.10355
   31    30 S   HC   HA31    27     1.09550   107.52039   -64.32662
   32    30 S   HC   HA32    28     1.09557   107.96730    52.10057
   33    29 S   CT   _C17    36     1.88623   103.18585   165.63272
   34    30 S   CO3  _C3_    29     1.52954   114.10274   174.10392
   35    34 S   O2Z  _O31    30     1.26373   116.07811    -0.25488
   36    34 S   O2Z  _O32    31     1.26430   114.40719   179.79633
   37    33 S   CT   _C22    37     1.55234   107.30737   -70.97450
   38    37 S   HC   _H30    38     1.09506   111.80220   170.73346
   39    37 S   HC   _H31    39     1.09457   112.04150    52.95606
   40    33 S   CT   _C16   103     1.55473   108.64397    46.70367
   41    40 S   HC   _H24   104     1.09791   109.90880    49.51699
   42    40 S   HC   _H25   105     1.09672   110.62500   -67.58134
   43    37 S   CO4  _C21    40     1.51142   112.76806   -69.60322
   44    43 S   O    _O33    41     1.23008   121.57284   132.96190
   45    43 S   CT   _C20    42     1.50592   116.48408   -52.12143
   46    45 S   HC   _H28    43     1.09550   108.80729   171.93610
   47    45 S   HC   _H29    44     1.09404   108.79644   -71.09636
   48    45 S   CT   _C19    45     1.52062   109.99219    51.91953
   49    48 S   HC   _H26    46     1.09815   107.76740    68.61434
   50    48 S   HC   _H27    47     1.09544   109.14287  -178.37997
   51    33 S   CT   _C18    48     1.60813   109.79656   168.67775
   52    51 S   CT   _C13    49     1.57985   108.10568  -171.43980
   53    52 S   HC   _H6_    50     1.09094   105.16675   -58.49649
   54    51 S   CT   _C23   110     1.55552   112.58566   -50.23494
   55    54 S   HC   _H32   111     1.09285   112.83492   -49.21964
   56    54 S   HC   _H33   112     1.09488   111.26078  -170.44434
   57    54 S   HC   _H34   113     1.09548   111.99735    71.30329
   58    52 S   CT   _C12    51     1.54066   117.80188  -174.27885
   59    58 S   HC   _H20    52     1.09347   111.79095    46.43440
   60    58 S   HC   _H21    53     1.09664   109.90492   -71.70796
   61    58 S   CT   _C11    54     1.54980   112.11458   167.14998
   62    61 S   HC   _H18    55     1.09159   107.19981   159.42051
   63    61 S   HC   _H19    56     1.09802   108.17350   -88.42114
   64    61 S   CT   _C10    57     1.54885   114.07459    33.82356
   65    64 S   CT   _C9_    58     1.54028   110.07795    23.83597
   66    65 S   HC   _H5_    59     1.09964   106.73055    58.96331
   67    64 S   CT   _C24   106     1.56165   108.25020   -99.56169
   68    67 S   HC   _H35   107     1.09493   112.51824  -178.30061
   69    67 S   HC   _H36   108     1.08949   113.79855    60.16013
   70    67 S   HC   _H37   109     1.09719   110.11063   -59.65330
   71    65 S   CT   _C8_    60     1.52013   104.27988   169.58251
   72    71 S   HC   _H16    61     1.09483   112.09590  -159.86357
   73    71 S   HC   _H17    62     1.09471   112.33313    78.89747
   74    52 S   CT   _C14    98     1.55400   111.22310    58.27344
   75    74 S   HC   _H7_    99     1.09810   108.22070    51.63540
   76    71 S   CT   _C7_    63     1.53443   103.37777   -39.81625
   77    76 S   HC   _H14    64     1.09597   110.19975   141.47025
   78    76 S   HC   _H15    65     1.09379   109.39629  -101.58007
   79    74 S   CT   _C15   100     1.52465   109.92218   -62.76931
   80    79 S   HC   _H22   101     1.09497   110.80716   -65.00060
   81    79 S   HC   _H23   102     1.09629   110.28121   177.24928
   82    64 S   CT   _C6_    66     1.57465   118.46137   140.27714
   83    82 S   HC   _H4_    67     1.09592   106.31108    97.13633
   84    82 S   CT   _C5_    68     1.56274   119.97307   -21.95680
   85    84 S   HC   _H3_    69     1.09735   107.96963    56.64649
   86    84 S   CT   _C4_    70     1.54061   113.96105   -60.70815
   87    86 S   HC   _H11    71     1.09396   111.85333   -66.40970
   88    86 S   HC   _H12    72     1.09112   112.37800    55.48863
   89    86 S   HC   _H13    73     1.09501   111.03616   173.46784
   90    84 S   CT   _C25    74     1.56667   112.50059   174.03156
   91    90 S   HC   _H8_    75     1.09494   108.69020    68.50982
   92    90 S   CT   _C26    76     1.54977   115.76352   -54.22075
   93    92 S   HC   _H9_    77     1.09494   110.05463    63.69889
   94    90 S   OH   _O35    96     1.43325   108.93940  -175.25269
   95    94 S   HO   _H49    97     0.97187   107.75622   -80.10075
   96    92 S   CT   _C27    78     1.55980   114.66256  -174.06819
   97    96 S   HC   _H10    79     1.09940   107.45209    66.28030
   98    92 S   OH   _O34    94     1.43341   109.28305   -53.55861
   99    98 S   HO   _H48    95     0.97107   108.15056    68.91188
  100    96 S   CT   _C28    80     1.54110   109.51618  -179.59362
  101   100 S   HC   _H38    81     1.09441   111.54447    62.19365
  102   100 S   HC   _H39    82     1.09522   111.11350   -57.78596
  103   100 S   HC   _H40    83     1.09357   111.66643  -176.43179
  104    96 S   CT   _C29    84     1.55762   113.90098   -52.63112
  105   104 S   HC   _H41    85     1.09657   107.91108    58.60467
  106   104 S   CT   _C30    86     1.53123   113.78883   -60.47902
  107   106 S   HC   _H42    87     1.09435   111.77323   -63.29819
  108   106 S   HC   _H43    88     1.09575   110.38757   177.15573
  109   106 S   HC   _H44    89     1.09366   111.61863    58.12936
  110   104 S   CT   _C31    90     1.53373   112.18397   174.45582
  111   110 S   HC   _H45    91     1.09435   112.06040    71.09979
  112   110 S   HC   _H46    92     1.09576   110.32897  -169.44139
  113   110 S   HC   _H47    93     1.09489   110.94780   -50.32141
  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
  24   2   1   1  15   6   5  13   6   5   8   4   8   5   4  11
   4   3  14  20   9   5   2   1   1  12   6   5  15   5   4  21
  19   9   9   3   2   1  11   6   5   6   3   8   4   3   2   1
   1  11   4  13   8   7   3   2   1  11   6  15   7   3   1  17
   9   3   1   7   3   2   1   9   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    51    52    79    40    41    42    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    49    50    51    52    53    58    74    79    80    81    40    41    42    54    55    56    57  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    51    52    79    40    41    42    54  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    54    43    48    51    52    65    74    75    79    80    81  
   42    51    74    79    80    81  
   51    74    79    80    81  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    51    52    54  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    58    74    54    55    56    57  
   50    51    52    54  
   51    52    54  
   52    53    58    59    60    61    65    74    75    79    54    55    56    57  
   53    58    59    60    61    62    63    64    65    66    71    74    75    79    80    81    54    55    56    57  
   58    59    60    61    65    74    75    79    54  
   55    56    57    58    74  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    82    74    75    79    67  
   60    61    62    63    64    74  
   61    62    63    64    74  
   62    63    64    65    66    71    76    82    83    84    74    67    68    69    70  
   63    64    65    82    67  
   64    65    82    67  
   65    66    71    72    73    76    77    78    82    83    84    85    86    90    74    75    79    67    68    69    70  
   66    71    72    73    76    77    78    82    83    84    74    75    79    80    81    67    68    69    70  
   71    72    73    76    82    74    75    79    67  
   68    69    70    71    74    76    82    83    84  
   69    70    82  
   70    82  
   82  
   72    73    76    77    78    82    83    84    74    75    79  
   73    76    77    78    82    74  
   76    77    78    82    74  
   75    79    80    81    76    82  
   79    80    81  
   77    78    82    83    84    85    86    90  
   78    82    83    84  
   82    83    84  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89    90    91    92    94  
   84    85    86    90  
   85    86    87    88    89    90    91    92    93    96    98    94    95  
   86    87    88    89    90    91    92    94  
   87    88    89    90    91    92    94  
   88    89    90  
   89    90  
   90  
   91    92    93    96    97   100   104    98    99    94    95  
   92    93    96    98    94    95  
   93    96    97   100   101   102   103   104   105   106   110    98    99    94    95  
   96    97   100   104    98    99    94  
   95    96    98  
    0  
   97   100   101   102   103   104   105   106   107   108   109   110   111   112   113    98    99  
  100   101   102   103   104   105   106   110    98  
   99   100   104  
    0  
  101   102   103   104   105   106   110  
  102   103   104  
  103   104  
  104  
  105   106   107   108   109   110   111   112   113  
  106   107   108   109   110   111   112   113  
  107   108   109   110   111   112   113  
  108   109   110  
  109   110  
  110  
  111   112   113  
  112   113  
  113  
    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   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   99   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   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    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   268.000  1.529
   51    54   268.000  1.529
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    74   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   268.000  1.529
   64    82   268.000  1.529
   64    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   84    90   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   90    91   340.000  1.090
   90    92   268.000  1.529
   90    94   320.000  1.410
   92    93   340.000  1.090
   92    96   268.000  1.529
   92    98   320.000  1.410
   96    97   340.000  1.090
   96   100   268.000  1.529
   96   104   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
  104   105   340.000  1.090
  104   106   268.000  1.529
  104   110   268.000  1.529
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
   98    99   553.000  0.945
   94    95   553.000  0.945
   74    75   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    51    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    43    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    40    79    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    58.35000  112.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    53    37.50000  110.70000
   51    52    58    58.35000  112.70000
   51    52    74    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    58.35000  112.70000
   52    74    65    58.35000  112.70000
   52    74    75    37.50000  110.70000
   52    74    79    58.35000  112.70000
   58    52    53    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    58.35000  112.70000
   61    64    82    58.35000  112.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    65    66    37.50000  110.70000
   64    65    71    58.35000  112.70000
   64    65    74    58.35000  112.70000
   64    82    76    58.35000  112.70000
   64    82    83    37.50000  110.70000
   64    82    84    58.35000  112.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    76    58.35000  112.70000
   65    74    75    37.50000  110.70000
   65    74    79    58.35000  112.70000
   71    65    66    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    82    58.35000  112.70000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    58.35000  112.70000
   78    76    77    33.00000  107.80000
   82    64    65    58.35000  112.70000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   82    84    85    37.50000  110.70000
   82    84    86    58.35000  112.70000
   82    84    90    58.35000  112.70000
   84    82    83    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    88    37.50000  110.70000
   84    86    89    37.50000  110.70000
   84    90    91    37.50000  110.70000
   84    90    92    58.35000  112.70000
   84    90    94    50.00000  109.50000
   86    84    85    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   90    84    85    37.50000  110.70000
   90    84    86    58.35000  112.70000
   90    92    93    37.50000  110.70000
   90    92    96    58.35000  112.70000
   90    92    98    50.00000  109.50000
   90    94    95    55.00000  108.50000
   92    90    91    37.50000  110.70000
   92    96    97    37.50000  110.70000
   92    96   100    58.35000  112.70000
   92    96   104    58.35000  112.70000
   92    98    99    55.00000  108.50000
   96    92    93    37.50000  110.70000
   96   100   101    37.50000  110.70000
   96   100   102    37.50000  110.70000
   96   100   103    37.50000  110.70000
   96   104   105    37.50000  110.70000
   96   104   106    58.35000  112.70000
   96   104   110    58.35000  112.70000
  100    96    97    37.50000  110.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
  104    96    97    37.50000  110.70000
  104    96   100    58.35000  112.70000
  104   106   107    37.50000  110.70000
  104   106   108    37.50000  110.70000
  104   106   109    37.50000  110.70000
  104   110   111    37.50000  110.70000
  104   110   112    37.50000  110.70000
  104   110   113    37.50000  110.70000
  106   104   105    37.50000  110.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  110   104   105    37.50000  110.70000
  110   104   106    58.35000  112.70000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
   98    92    93    35.00000  109.50000
   98    92    96    50.00000  109.50000
   94    90    91    35.00000  109.50000
   94    90    92    50.00000  109.50000
   74    52    53    37.50000  110.70000
   74    52    58    58.35000  112.70000
   74    65    66    37.50000  110.70000
   74    65    71    58.35000  112.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    40    58.35000  112.70000
   79    74    75    37.50000  110.70000
   79    40    41    37.50000  110.70000
   79    40    42    37.50000  110.70000
   81    79    80    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    79    80    37.50000  110.70000
   40    79    81    37.50000  110.70000
   42    40    41    33.00000  107.80000
   67    64    65    58.35000  112.70000
   67    64    82    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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
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   82    64    67    69   0.15000  1.0 3.0
   82    64    67    70   0.15000  1.0 3.0
   82    84    86    87   0.15000  1.0 3.0
   82    84    86    88   0.15000  1.0 3.0
   82    84    86    89   0.15000  1.0 3.0
   82    84    90    91   0.15000  1.0 3.0
   82    84    90    92   0.56750  1.0 1.0
   82    84    90    92  -0.07550 -1.0 2.0
   82    84    90    92   0.20000  1.0 3.0
   82    84    90    94   0.86500  1.0 1.0
   82    84    90    94  -0.17500 -1.0 2.0
   82    84    90    94   0.20800  1.0 3.0
   83    82    84    85   0.15000  1.0 3.0
   83    82    84    86   0.15000  1.0 3.0
   83    82    84    90   0.15000  1.0 3.0
   84    90    92    93   0.15000  1.0 3.0
   84    90    92    96   0.56750  1.0 1.0
   84    90    92    96  -0.07550 -1.0 2.0
   84    90    92    96   0.20000  1.0 3.0
   84    90    92    98   0.86500  1.0 1.0
   84    90    92    98  -0.17500 -1.0 2.0
   84    90    92    98   0.20800  1.0 3.0
   84    90    94    95  -0.11600  1.0 1.0
   84    90    94    95  -0.09450 -1.0 2.0
   84    90    94    95   0.21250  1.0 3.0
   85    84    86    87   0.15000  1.0 3.0
   85    84    86    88   0.15000  1.0 3.0
   85    84    86    89   0.15000  1.0 3.0
   85    84    90    91   0.15000  1.0 3.0
   85    84    90    92   0.15000  1.0 3.0
   85    84    90    94   0.23400  1.0 3.0
   86    84    90    91   0.15000  1.0 3.0
   86    84    90    92   0.56750  1.0 1.0
   86    84    90    92  -0.07550 -1.0 2.0
   86    84    90    92   0.20000  1.0 3.0
   86    84    90    94   0.86500  1.0 1.0
   86    84    90    94  -0.17500 -1.0 2.0
   86    84    90    94   0.20800  1.0 3.0
   90    84    86    87   0.15000  1.0 3.0
   90    84    86    88   0.15000  1.0 3.0
   90    84    86    89   0.15000  1.0 3.0
   90    92    96    97   0.15000  1.0 3.0
   90    92    96   100   0.56750  1.0 1.0
   90    92    96   100  -0.07550 -1.0 2.0
   90    92    96   100   0.20000  1.0 3.0
   90    92    96   104   0.56750  1.0 1.0
   90    92    96   104  -0.07550 -1.0 2.0
   90    92    96   104   0.20000  1.0 3.0
   90    92    98    99  -0.11600  1.0 1.0
   90    92    98    99  -0.09450 -1.0 2.0
   90    92    98    99   0.21250  1.0 3.0
   91    90    92    93   0.15000  1.0 3.0
   91    90    92    96   0.15000  1.0 3.0
   91    90    92    98   0.23400  1.0 3.0
   91    90    94    95   0.19450  1.0 3.0
   92    90    94    95  -0.11600  1.0 1.0
   92    90    94    95  -0.09450 -1.0 2.0
   92    90    94    95   0.21250  1.0 3.0
   92    96   100   101   0.15000  1.0 3.0
   92    96   100   102   0.15000  1.0 3.0
   92    96   100   103   0.15000  1.0 3.0
   92    96   104   105   0.15000  1.0 3.0
   92    96   104   106   0.56750  1.0 1.0
   92    96   104   106  -0.07550 -1.0 2.0
   92    96   104   106   0.20000  1.0 3.0
   92    96   104   110   0.56750  1.0 1.0
   92    96   104   110  -0.07550 -1.0 2.0
   92    96   104   110   0.20000  1.0 3.0
   93    92    96    97   0.15000  1.0 3.0
   93    92    96   100   0.15000  1.0 3.0
   93    92    96   104   0.15000  1.0 3.0
   93    92    98    99   0.19450  1.0 3.0
   96    92    98    99  -0.11600  1.0 1.0
   96    92    98    99  -0.09450 -1.0 2.0
   96    92    98    99   0.21250  1.0 3.0
   96   104   106   107   0.15000  1.0 3.0
   96   104   106   108   0.15000  1.0 3.0
   96   104   106   109   0.15000  1.0 3.0
   96   104   110   111   0.15000  1.0 3.0
   96   104   110   112   0.15000  1.0 3.0
   96   104   110   113   0.15000  1.0 3.0
   97    96   100   101   0.15000  1.0 3.0
   97    96   100   102   0.15000  1.0 3.0
   97    96   100   103   0.15000  1.0 3.0
   97    96   104   105   0.15000  1.0 3.0
   97    96   104   106   0.15000  1.0 3.0
   97    96   104   110   0.15000  1.0 3.0
  100    96   104   105   0.15000  1.0 3.0
  100    96   104   106   0.56750  1.0 1.0
  100    96   104   106  -0.07550 -1.0 2.0
  100    96   104   106   0.20000  1.0 3.0
  100    96   104   110   0.56750  1.0 1.0
  100    96   104   110  -0.07550 -1.0 2.0
  100    96   104   110   0.20000  1.0 3.0
  104    96   100   101   0.15000  1.0 3.0
  104    96   100   102   0.15000  1.0 3.0
  104    96   100   103   0.15000  1.0 3.0
  105   104   106   107   0.15000  1.0 3.0
  105   104   106   108   0.15000  1.0 3.0
  105   104   106   109   0.15000  1.0 3.0
  105   104   110   111   0.15000  1.0 3.0
  105   104   110   112   0.15000  1.0 3.0
  105   104   110   113   0.15000  1.0 3.0
  106   104   110   111   0.15000  1.0 3.0
  106   104   110   112   0.15000  1.0 3.0
  106   104   110   113   0.15000  1.0 3.0
  110   104   106   107   0.15000  1.0 3.0
  110   104   106   108   0.15000  1.0 3.0
  110   104   106   109   0.15000  1.0 3.0
   98    92    96    97   0.23400  1.0 3.0
   98    92    96   100   0.86500  1.0 1.0
   98    92    96   100  -0.17500 -1.0 2.0
   98    92    96   100   0.20800  1.0 3.0
   98    92    96   104   0.86500  1.0 1.0
   98    92    96   104  -0.17500 -1.0 2.0
   98    92    96   104   0.20800  1.0 3.0
   94    90    92    93   0.23400  1.0 3.0
   94    90    92    96   0.86500  1.0 1.0
   94    90    92    96  -0.17500 -1.0 2.0
   94    90    92    96   0.20800  1.0 3.0
   94    90    92    98   3.75450  1.0 1.0
   74    52    58    59   0.15000  1.0 3.0
   74    52    58    60   0.15000  1.0 3.0
   74    52   -58    61   0.56750  1.0 1.0
   74    52   -58    61  -0.07550 -1.0 2.0
   74    52   -58    61   0.20000  1.0 3.0
   74    65    71    72   0.15000  1.0 3.0
   74    65    71    73   0.15000  1.0 3.0
   74    65    71    76   0.56750  1.0 1.0
   74    65    71    76  -0.07550 -1.0 2.0
   74    65    71    76   0.20000  1.0 3.0
   74    79   -40    33   0.56750  1.0 1.0
   74    79   -40    33  -0.07550 -1.0 2.0
   74    79   -40    33   0.20000  1.0 3.0
   74    79    40    41   0.15000  1.0 3.0
   74    79    40    42   0.15000  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    40   0.15000  1.0 3.0
   80    79    40    33   0.15000  1.0 3.0
   80    79    40    41   0.15000  1.0 3.0
   80    79    40    42   0.15000  1.0 3.0
   81    79    40    33   0.15000  1.0 3.0
   81    79    40    41   0.15000  1.0 3.0
   81    79    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33   -51    52   0.56750  1.0 1.0
   40    33   -51    52  -0.07550 -1.0 2.0
   40    33   -51    52   0.20000  1.0 3.0
   40    33    51    54   0.56750  1.0 1.0
   40    33    51    54  -0.07550 -1.0 2.0
   40    33    51    54   0.20000  1.0 3.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    71   0.56750  1.0 1.0
   67    64    65    71  -0.07550 -1.0 2.0
   67    64    65    71   0.20000  1.0 3.0
   67    64    65    74   0.56750  1.0 1.0
   67    64    65    74  -0.07550 -1.0 2.0
   67    64    65    74   0.20000  1.0 3.0
   67    64    82    76   0.56750  1.0 1.0
   67    64    82    76  -0.07550 -1.0 2.0
   67    64    82    76   0.20000  1.0 3.0
   67    64    82    83   0.15000  1.0 3.0
   67    64    82    84   0.56750  1.0 1.0
   67    64    82    84  -0.07550 -1.0 2.0
   67    64    82    84   0.20000  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    74   0.56750  1.0 1.0
   54    51    52    74  -0.07550 -1.0 2.0
   54    51    52    74   0.20000  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
   37    45    43    44  10.50000 -1.0 2.0
END
