* LIGAND DATABASE FILE (OPLS2005)
*
001     109   112    212    339     636
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02058   106.46318    -8.32157
    3     1 S   H    _H1_     3     1.02099    52.52684    92.90114
    4     1 S   H    _H2_     4     1.02135    59.66847  -110.72310
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C24    36     1.82640    97.98174  -178.17329
   34    33 S   HC   _H7_    37     1.10333   101.77936   -27.93649
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C23    38     1.50897   108.84641    80.02199
   39    38 S   HC   _H24    39     1.08735   119.98106   -22.26692
   40    38 S   CM   _C22    40     1.33850   120.79667   163.09834
   41    40 S   CM   _C21    41     1.43662   121.28077    -3.71104
   42    41 S   HC   _H23    42     1.08675   116.90434   174.23082
   43    40 S   OH   _O36   108     1.37543   123.62495   176.45729
   44    43 S   HO   _H28   109     0.96494   110.06823    -0.16313
   45    41 S   CM   _C20    43     1.34709   122.24520   -12.04227
   46    45 S   CT   _C19    44     1.50329   119.14934  -168.49629
   47    46 S   HC   _H21    45     1.09475   110.79053  -127.76025
   48    46 S   HC   _H22    46     1.09670   111.71912   -10.01331
   49    46 S   CT   _C18    47     1.52352   108.66343   110.11489
   50    49 S   HC   _H19    48     1.09659   107.99665   175.84881
   51    49 S   HC   _H20    49     1.09722   110.03326   -68.54173
   52    49 S   CT   _C17    50     1.54043   111.99028    54.61796
   53    52 S   HC   _H6_    51     1.09294   105.08354    64.33166
   54    52 S   CT   _C12    52     1.54038   111.11376   179.76510
   55    54 S   HC   _H4_    53     1.09839   106.77683    68.67082
   56    52 S   CT   _C16    66     1.60209   113.82432   -53.45913
   57    56 S   Cl   Cl1_    67     1.84415   108.50914   -64.43126
   58    54 S   CT   _C11    54     1.52727   119.16143   -50.26050
   59    58 S   HC   _H15    55     1.09528   111.37494   -47.10941
   60    58 S   HC   _H16    56     1.09470   111.87452    73.17905
   61    33 S   CT   _C25    68     1.60350   118.57962  -144.04076
   62    58 S   CT   _C10    57     1.55135   103.57149  -167.70939
   63    62 S   HC   _H3_    58     1.09449   107.64265   -97.74646
   64    61 S   CT   _C26    69     1.56034   104.20769    82.69160
   65    64 S   HC   _H25    70     1.07781   108.16996   -65.44649
   66    64 S   HC   _H26    71     1.07860   108.18202   174.55565
   67    64 S   HC   _H27    72     1.07852   108.13638    54.56193
   68    62 S   CT   _C9_    59     1.56203   105.42963    18.44963
   69    62 S   CT   _C28   104     1.52509   110.89844   145.85927
   70    69 S   HC   _H33   105     1.08969   109.95519   -63.03399
   71    69 S   HC   _H34   106     1.08952   109.98911   176.89928
   72    69 S   HC   _H35   107     1.09012   109.89686    56.90237
   73    54 S   CT   _C13    60     1.54511   113.01634  -171.00374
   74    68 S   CO4  _C8_    79     1.50045   116.90334   139.77057
   75    74 S   O    _O35    80     1.23052   121.32193    -0.05234
   76    68 S   OS   _O38    94     1.43332   108.10607  -106.00309
   77    73 S   CT   _C14    61     1.54023   107.27539   -60.42506
   78    77 S   HC   _H17    62     1.09561   110.09708   -66.95266
   79    77 S   HC   _H18    63     1.09794   109.10079   176.93586
   80    73 S   CT   _C27    75     1.55441   113.63177    61.35449
   81    80 S   HC   _H30    76     1.07933   108.50498    59.73673
   82    80 S   HC   _H31    77     1.07975   108.50018   -60.32253
   83    80 S   HC   _H32    78     1.07976   108.43986   179.70926
   84    74 S   CT   _C7_    81     1.51385   116.28073  -179.97202
   85    84 S   HC   _H13    82     1.09372   109.76912    90.03184
   86    84 S   HC   _H14    83     1.09265   109.02147   -30.26248
   87    76 S   CO4  _C29    95     1.36616   115.46908   -63.79914
   88    87 S   O    _O39    96     1.22351   125.94449     0.03426
   89    77 S   CT   _C15    64     1.55346   113.83863    54.48020
   90    89 S   HC   _H5_    65     1.09253   104.08596  -171.83511
   91    84 S   OS   _O34    84     1.41270   110.68565  -149.43450
   92    87 S   CT   _C30    97     1.51082   108.82087   179.97202
   93    92 S   HC   _H36    98     1.09488   108.47122   -59.95436
   94    92 S   HC   _H37    99     1.09529   108.45473    58.44335
   95    89 S   OH   _O37    73     1.42120   109.08359    74.64660
   96    95 S   HO   _H29    74     0.97127   106.77681    60.01218
   97    91 S   CO4  _C6_    85     1.37477   116.23258   180.00000
   98    97 S   O    _O33    86     1.22364   125.15584     0.02798
   99    92 S   CT   _C31   100     1.51856   112.07139   179.23179
  100    99 S   HC   _H38   101     1.09443   111.07254   -59.73148
  101    99 S   HC   _H39   102     1.09402   110.40380    60.38698
  102    99 S   HC   _H40   103     1.09563   110.99282  -179.61948
  103    97 S   CT   _C5_    87     1.51005   109.59422   179.96044
  104   103 S   HC   _H11    88     1.09544   108.45305   -60.00643
  105   103 S   HC   _H12    89     1.09497   108.48146    58.45485
  106   103 S   CT   _C4_    90     1.51913   112.11193   179.23357
  107   106 S   HC   _H8_    91     1.09457   111.03000   -59.70010
  108   106 S   HC   _H9_    92     1.09419   110.41311    60.34537
  109   106 S   HC   _H10    93     1.09448   111.03792  -179.60783
  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   9   5   4   3
  17   7   2   1   1  10   4   7  11   4   2   1  15  11   6   5
  12   5   4  18   8  22   9  15   6  14   6   5   8  14   8   4
   2   1   1  23   6   2   1   1  15  10   5   9  10   5   4   4
   2   1   1   6   3   2   8   4   3   2   6   6   5   4   1   1
   8   4   3   2   1   1   6   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    61    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    56    61    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    46    52    89    56    57    61    64    65    66    67    43  
   38    39    40    45    56    61    64  
   36    37  
   37  
    0  
   39    40    41    42    45    56    61    64    43    44  
   40    41    61    43  
   41    42    45    46    61    43    44  
   42    45    46    47    48    49    56    61    64    43    44  
   45    46    61    43  
   44    45  
    0  
   46    47    48    49    50    51    52    89    56    57    61    64    65    66    67  
   47    48    49    50    51    52    53    54    56    61    64  
   48    49    50    51    52    61  
   49    50    51    52    61  
   50    51    52    53    54    55    58    73    89    56    57    61  
   51    52    53    54    56  
   52    53    54    56  
   53    54    55    58    59    60    62    68    73    77    89    90    56    57    61    64    95    80  
   54    55    58    73    89    56    57    61  
   55    58    59    60    62    63    68    73    77    78    79    89    56    57    61    80    81    82    83    74    76    69  
   58    59    60    62    68    73    77    56    80  
   57    61    64    65    66    67    95    96    58    73    77    78    79    89    90  
   61    64    95    77    89    90  
   59    60    62    63    68    73    77    80    74    76    69    70    71    72  
   60    62    63    68    73    69  
   62    63    68    73    69  
   64    65    66    67    95    77    89    90  
   63    68    73    77    80    74    75    84    76    87    69    70    71    72  
   68    73    74    76    69    70    71    72  
   65    66    67    89  
   66    67  
   67  
    0  
   73    77    78    79    89    80    81    82    83    74    75    84    85    86    91    76    87    88    92    69    70    71    72  
   70    71    72    73    74    76  
   71    72  
   72  
    0  
   77    78    79    89    90    95    80    81    82    83    74    75    84    76    87  
   75    84    85    86    91    97    76    87    77    80  
   84    85    86    91    76  
   87    88    92    93    94    99    77    80    84  
   78    79    89    90    95    96    80    81    82    83  
   79    89    90    95    80  
   89    90    95    80  
   81    82    83    89  
   82    83  
   83  
    0  
   85    86    91    97    98   103  
   86    91    97  
   91    97  
   88    92    93    94    99   100   101   102  
   92    93    94    99  
   90    95    96  
   95    96  
   97    98   103   104   105   106  
   93    94    99   100   101   102  
   94    99   100   101   102  
   99   100   101   102  
   96  
    0  
   98   103   104   105   106   107   108   109  
  103   104   105   106  
  100   101   102  
  101   102  
  102  
    0  
  104   105   106   107   108   109  
  105   106   107   108   109  
  106   107   108   109  
  107   108   109  
  108   109  
  109  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.7500   0.1050   0.374000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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
  103   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   2.4200   0.0150   0.060000   1.3810   1.2100   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    61   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   380.000  1.444
   40    43   510.000  1.338
   41    42   340.000  1.080
   41    45   549.000  1.340
   45    46   317.000  1.510
   45    61   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    73   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    69   268.000  1.529
   68    73   268.000  1.529
   68    74   317.000  1.522
   68    76   320.000  1.410
   73    77   268.000  1.529
   73    80   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    89   268.000  1.529
   89    90   340.000  1.090
   89    56   268.000  1.529
   89    95   320.000  1.410
   56    57   245.000  1.781
   56    61   268.000  1.529
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   95    96   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   74    75   570.000  1.229
   74    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    91   320.000  1.410
   91    97   214.000  1.327
   97    98   570.000  1.229
   97   103   317.000  1.522
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   268.000  1.529
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
   76    87   214.000  1.327
   87    88   570.000  1.229
   87    92   317.000  1.522
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   43    44   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    61    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    61    45    70.00000  112.02700
   33    61    56    58.35000  112.70000
   33    61    64    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    70.00000  123.01800
   38    40    43    80.00000  121.38400
   40    38    39    35.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    70.00000  123.01800
   40    43    44    70.00000  107.45700
   41    45    46    70.00000  124.00000
   41    45    61    70.00000  124.00000
   45    41    42    35.00000  120.00000
   45    46    47    35.00000  109.50000
   45    46    48    35.00000  109.50000
   45    46    49    70.00000  112.02700
   45    61    56    70.00000  112.02700
   45    61    64    70.00000  112.02700
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    58.35000  112.70000
   49    52    56    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    58    58.35000  112.70000
   52    54    73    58.35000  112.70000
   52    56    89    58.35000  112.70000
   52    56    57    69.00000  109.80000
   52    56    61    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    62    58.35000  112.70000
   54    73    68    58.35000  112.70000
   54    73    77    58.35000  112.70000
   54    73    80    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    68    58.35000  112.70000
   58    62    69    58.35000  112.70000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    68    73    58.35000  112.70000
   62    68    74    63.00000  111.10000
   62    68    76    50.00000  109.50000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    72    37.50000  110.70000
   68    62    63    37.50000  110.70000
   68    73    77    58.35000  112.70000
   68    73    80    58.35000  112.70000
   68    74    75    80.00000  120.40000
   68    74    84    70.00000  116.00000
   68    76    87    83.00000  116.90000
   73    54    55    37.50000  110.70000
   73    54    58    58.35000  112.70000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    89    58.35000  112.70000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    83    37.50000  110.70000
   77    89    90    37.50000  110.70000
   77    89    56    58.35000  112.70000
   77    89    95    50.00000  109.50000
   79    77    78    33.00000  107.80000
   89    77    78    37.50000  110.70000
   89    77    79    37.50000  110.70000
   89    56    57    69.00000  109.80000
   89    56    61    58.35000  112.70000
   89    95    96    55.00000  108.50000
   56    52    53    37.50000  110.70000
   56    52    54    58.35000  112.70000
   56    89    90    37.50000  110.70000
   56    61    64    58.35000  112.70000
   61    33    34    37.50000  110.70000
   61    33    38    70.00000  112.02700
   61    45    46    65.00000  117.92700
   61    56    57    69.00000  109.80000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   95    89    90    35.00000  109.50000
   95    89    56    50.00000  109.50000
   80    73    77    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   74    68    73    63.00000  111.10000
   74    84    85    35.00000  109.50000
   74    84    86    35.00000  109.50000
   74    84    91    90.00000  108.74100
   84    74    75    80.00000  120.40000
   84    91    97    83.00000  116.90000
   86    84    85    33.00000  107.80000
   91    84    85    35.00000  109.50000
   91    84    86    35.00000  109.50000
   91    97    98    83.00000  123.40000
   91    97   103    81.00000  111.40000
   97   103   104    35.00000  109.50000
   97   103   105    35.00000  109.50000
   97   103   106    63.00000  111.10000
  103    97    98    80.00000  120.40000
  103   106   107    37.50000  110.70000
  103   106   108    37.50000  110.70000
  103   106   109    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    37.50000  110.70000
  106   103   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
   76    68    73    50.00000  109.50000
   76    68    74    90.00000  108.74100
   76    87    88    83.00000  123.40000
   76    87    92    81.00000  111.40000
   87    92    93    35.00000  109.50000
   87    92    94    35.00000  109.50000
   87    92    99    63.00000  111.10000
   92    87    88    80.00000  120.40000
   92    99   100    37.50000  110.70000
   92    99   101    37.50000  110.70000
   92    99   102    37.50000  110.70000
   94    92    93    33.00000  107.80000
   99    92    93    37.50000  110.70000
   99    92    94    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
   69    62    63    37.50000  110.70000
   69    62    68    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   43    40    41    80.00000  121.38400
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
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   56    61    64    66   0.15000  1.0 3.0
   56    61    64    67   0.15000  1.0 3.0
   57    56    61    33   0.35600  1.0 1.0
   57    56    61    33  -0.14650 -1.0 2.0
   57    56    61    33   0.33350  1.0 3.0
   57    56    61    45   0.56750  1.0 1.0
   57    56    61    45  -0.07550 -1.0 2.0
   57    56    61    45   0.20000  1.0 3.0
   57    56    61    64   0.35600  1.0 1.0
   57    56    61    64  -0.14650 -1.0 2.0
   57    56    61    64   0.33350  1.0 3.0
   61    33    38    39   0.00000  1.0 1.0
   61    33   -38    40   0.09850  1.0 1.0
   61    33   -38    40   0.15250 -1.0 2.0
   61    33   -38    40  -0.50650  1.0 3.0
   61    45    46    47   0.34800  1.0 3.0
   61    45    46    48   0.34800  1.0 3.0
   61    45   -46    49   0.46850  1.0 1.0
   61    45   -46    49   0.08550 -1.0 2.0
   61    45   -46    49   0.09800  1.0 3.0
   95    89    56    52   0.86500  1.0 1.0
   95    89    56    52  -0.17500 -1.0 2.0
   95    89    56    52   0.20800  1.0 3.0
   95    89    56    57   0.56750  1.0 1.0
   95    89    56    57  -0.07550 -1.0 2.0
   95    89    56    57   0.20000  1.0 3.0
   95    89    56    61   0.86500  1.0 1.0
   95    89    56    61  -0.17500 -1.0 2.0
   95    89    56    61   0.20800  1.0 3.0
   80    73    77    78   0.15000  1.0 3.0
   80    73    77    79   0.15000  1.0 3.0
   80    73    77    89   0.56750  1.0 1.0
   80    73    77    89  -0.07550 -1.0 2.0
   80    73    77    89   0.20000  1.0 3.0
   74    68    73    54  -0.95700  1.0 1.0
   74    68    73    54  -0.18200 -1.0 2.0
   74    68    73    54   0.29450  1.0 3.0
   74    68    73    77  -0.95700  1.0 1.0
   74    68    73    77  -0.18200 -1.0 2.0
   74    68    73    77   0.29450  1.0 3.0
   74    68    73    80  -0.95700  1.0 1.0
   74    68    73    80  -0.18200 -1.0 2.0
   74    68    73    80   0.29450  1.0 3.0
   74    68    76    87  -1.80650  1.0 1.0
   74    68    76    87   0.63900 -1.0 2.0
   74    68    76    87   0.03650  1.0 3.0
   74    84    91    97  -1.80650  1.0 1.0
   74    84    91    97   0.63900 -1.0 2.0
   74    84    91    97   0.03650  1.0 3.0
   75    74    84    85   0.00000  1.0 1.0
   75    74    84    86   0.00000  1.0 1.0
   75    74    84    91   0.30150 -1.0 2.0
   84    91    97    98   3.00000 -1.0 2.0
   84    91    97   103   1.63150  1.0 1.0
   84    91    97   103   2.92000 -1.0 2.0
   85    84    91    97   0.08050  1.0 3.0
   86    84    91    97   0.08050  1.0 3.0
   91    97   103   104   0.00000  1.0 1.0
   91    97   103   105   0.00000  1.0 1.0
   91    97   103   106   0.36750  1.0 3.0
   97   103   106   107  -0.11250  1.0 3.0
   97   103   106   108  -0.11250  1.0 3.0
   97   103   106   109  -0.11250  1.0 3.0
   98    97   103   104   0.00000  1.0 1.0
   98    97   103   105   0.00000  1.0 1.0
   98    97   103   106   0.30150 -1.0 2.0
  104   103   106   107   0.15000  1.0 3.0
  104   103   106   108   0.15000  1.0 3.0
  104   103   106   109   0.15000  1.0 3.0
  105   103   106   107   0.15000  1.0 3.0
  105   103   106   108   0.15000  1.0 3.0
  105   103   106   109   0.15000  1.0 3.0
   76    68    73    54   0.62750  1.0 1.0
   76    68    73    54  -0.30950 -1.0 2.0
   76    68    73    54   0.27300  1.0 3.0
   76    68    73    77   0.62750  1.0 1.0
   76    68    73    77  -0.30950 -1.0 2.0
   76    68    73    77   0.27300  1.0 3.0
   76    68    73    80   0.62750  1.0 1.0
   76    68    73    80  -0.30950 -1.0 2.0
   76    68    73    80   0.27300  1.0 3.0
   76    68    74    75   0.30150 -1.0 2.0
   76    68    74    84   0.55300  1.0 1.0
   76    68    74    84   1.25850 -1.0 2.0
   76    68    74    84  -0.23600  1.0 3.0
   76    87    92    93   0.00000  1.0 1.0
   76    87    92    94   0.00000  1.0 1.0
   76    87    92    99   0.36750  1.0 3.0
   87    92    99   100  -0.11250  1.0 3.0
   87    92    99   101  -0.11250  1.0 3.0
   87    92    99   102  -0.11250  1.0 3.0
   88    87    92    93   0.00000  1.0 1.0
   88    87    92    94   0.00000  1.0 1.0
   88    87    92    99   0.30150 -1.0 2.0
   93    92    99   100   0.15000  1.0 3.0
   93    92    99   101   0.15000  1.0 3.0
   93    92    99   102   0.15000  1.0 3.0
   94    92    99   100   0.15000  1.0 3.0
   94    92    99   101   0.15000  1.0 3.0
   94    92    99   102   0.15000  1.0 3.0
   69    62    68    73   0.56750  1.0 1.0
   69    62    68    73  -0.07550 -1.0 2.0
   69    62    68    73   0.20000  1.0 3.0
   69    62    68    74  -0.95700  1.0 1.0
   69    62    68    74  -0.18200 -1.0 2.0
   69    62    68    74   0.29450  1.0 3.0
   69    62    68    76   0.62750  1.0 1.0
   69    62    68    76  -0.30950 -1.0 2.0
   69    62    68    76   0.27300  1.0 3.0
   43    40    41    42   0.00000  1.0 1.0
   43    40    41    45   0.50950  1.0 1.0
   43    40    41    45   0.56650 -1.0 2.0
   43    40    41    45   0.34050  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    43    40    38   1.10000 -1.0 2.0
   40    42    41    45   1.10000 -1.0 2.0
   46    61    45    41   1.10000 -1.0 2.0
   68    84    74    75  10.50000 -1.0 2.0
   91   103    97    98  10.50000 -1.0 2.0
   76    92    87    88  10.50000 -1.0 2.0
END
