* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    164    240     479
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02069   104.34021   -34.99869
    3     1 S   H    _H1_     3     1.02056    68.83077    69.81729
    4     1 S   H    _H2_     4     1.02054    44.20549  -137.20469
    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     1.08639   110.43529    58.94977
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   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   CO   _C15    36     1.86808   101.64266  -160.02838
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C16    37     1.58771   111.66172   -79.98796
   38    33 S   OH   _O36    50     1.43749   108.32831   164.30922
   39    38 S   HO   _H25    51     0.97204   106.57268    59.64923
   40    33 S   OS   _O35    52     1.44925   112.04767    39.04315
   41    37 S   CT   _C17    38     1.55238   109.40516   -57.39456
   42    41 S   HC   _H16    39     1.09694   111.07796   -58.26641
   43    41 S   HC   _H17    40     1.09513   111.67891  -177.78610
   44    41 S   HC   _H18    41     1.09539   111.63360    61.24559
   45    37 S   CT   _C18    42     1.54779   112.23842    61.07972
   46    45 S   HC   _H19    43     1.09688   110.83718    60.03494
   47    45 S   HC   _H20    44     1.09421   112.06819   -59.14956
   48    45 S   HC   _H21    45     1.09483   111.70997   179.51746
   49    37 S   CT   _C19    46     1.54393   112.86969  -176.23568
   50    49 S   HC   _H22    47     1.09440   111.67877   -59.68667
   51    49 S   HC   _H23    48     1.09676   110.89699    59.78445
   52    49 S   HC   _H24    49     1.09455   111.83155   178.62470
   53    40 S   CA   _C14    53     1.36572   120.87265    87.81630
   54    53 S   CA   _C13    54     1.39529   119.48038   -29.95646
   55    54 S   HA   _H15    55     1.08722   119.83772     0.03956
   56    54 S   CA   _C12    56     1.39556   119.99259  -179.98022
   57    56 S   CA   _C11    57     1.39503   119.97898     0.00000
   58    57 S   HA   _H14    58     1.08714   120.47538  -179.89913
   59    56 S   CT   _C20    78     1.49146   119.97084  -179.92087
   60    59 S   HC   _H3_    79     1.10490   111.60551   179.90309
   61    57 S   CA   _C10    59     1.39456   120.01285    -0.02798
   62    61 S   HA   _H13    60     1.08661   119.60842   179.96044
   63    59 S   CT   _C21    80     1.53247   112.40455    57.05577
   64    63 S   HC   _H26    81     1.09464   112.00952    59.97345
   65    63 S   HC   _H27    82     1.09544   112.37245   -64.23361
   66    59 S   OH   _O37    90     1.43361   108.56249   -63.06105
   67    66 S   HO   _H33    91     0.96770   106.03654    59.98419
   68    53 S   CA   _C9_    61     1.39489   120.54374   150.04072
   69    63 S   NP   _N4_    83     1.48592   109.84563   178.09289
   70    69 S   H    _H28    84     1.02994   109.15998    56.11631
   71    69 S   H    _H29    85     1.02930   109.13807   -59.02943
   72    68 S   OS   _O34    62     1.36227   120.55726     0.01978
   73    69 S   CT   _C22    86     1.48773   114.30729   178.54626
   74    73 S   HC   _H30    87     1.09135   107.77275    57.51024
   75    73 S   HC   _H31    88     1.09170   107.83138   177.59336
   76    73 S   HC   _H32    89     1.09159   107.77939   -62.48466
   77    72 S   CO4  _C8_    63     1.35367   113.31350    89.93558
   78    77 S   O    _O33    64     1.22634   127.30835     0.68156
   79    77 S   CT   _C5_    65     1.53426   108.85404   180.00000
   80    79 S   CT   _C4_    66     1.53476   109.45742    60.03856
   81    80 S   HC   _H4_    67     1.09633   111.03251   179.95577
   82    80 S   HC   _H5_    68     1.09532   111.62303   -60.43127
   83    80 S   HC   _H6_    69     1.09632   111.18097    59.66680
   84    79 S   CT   _C6_    70     1.53483   109.52664  -178.74711
   85    84 S   HC   _H7_    71     1.09638   111.64120   179.96574
   86    84 S   HC   _H8_    72     1.09586   111.24969    59.95977
   87    84 S   HC   _H9_    73     1.09593   111.05765   -60.39052
   88    79 S   CT   _C7_    74     1.53765   109.55403   -59.35149
   89    88 S   HC   _H10    75     1.09607   111.22003  -179.97202
   90    88 S   HC   _H11    76     1.09576   111.28506   -59.86312
   91    88 S   HC   _H12    77     1.09587   111.23277    60.36341
  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
  19   2   1   1  16   6   1  10  11   4   3   2   7   3   2   1
   3   2   1   1  10  11   4  13   9   4  11   6   4   2  11   6
   5   2   1   4   6   5   4   6   3   2   1   1  14   4  12  11
   4   3   2   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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    45    49    38    39    40    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    43    44    45    46    47    48    49    50    51    52    38    39    40    53    54    68  
   35    36  
   36  
    0  
   41    42    43    44    45    46    47    48    49    50    51    52    38    39    40    53  
   39    40    53    41    45    49  
   40  
   53    54    55    56    61    68    72    41    45    49  
   42    43    44    45    46    47    48    49    50    51    52  
   43    44    45    49  
   44    45    49  
   45    49  
   46    47    48    49    50    51    52  
   47    48    49  
   48    49  
   49  
   50    51    52  
   51    52  
   52  
    0  
   54    55    56    57    61    62    68    72    77    59  
   55    56    57    58    61    68    72    59    60    63    66  
   56    57    68    59  
   57    58    61    62    68    59    60    63    64    65    69    66    67  
   58    61    62    68    72    59    60    63    66  
   61    62    68    59  
   60    63    64    65    69    70    71    73    66    67    61  
   63    64    65    69    66    67  
   62    68    72    77  
   68    72  
   64    65    69    70    71    73    74    75    76    66    67  
   65    69    70    71    73    66  
   69    70    71    73    66  
   67    69  
    0  
   72    77    78    79  
   70    71    73    74    75    76  
   71    73    74    75    76  
   73    74    75    76  
   77    78    79    80    84    88  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80    81    82    83    84    85    86    87    88    89    90    91  
   79    80    84    88  
   80    81    82    83    84    85    86    87    88    89    90    91  
   81    82    83    84    85    86    87    88    89    90    91  
   82    83    84    88  
   83    84    88  
   84    88  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91  
   90    91  
   91  
    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  -0.175000   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   0.372200   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   70   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   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   250.000  1.527
   33    38   380.000  1.407
   33    40   320.000  1.380
   37    41   268.000  1.529
   37    45   268.000  1.529
   37    49   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   38    39   553.000  0.945
   40    53   450.000  1.364
   53    54   469.000  1.400
   53    68   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   469.000  1.400
   56    59   317.000  1.510
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    62   367.000  1.080
   61    68   469.000  1.400
   68    72   450.000  1.364
   72    77   214.000  1.327
   77    78   570.000  1.229
   77    79   317.000  1.522
   79    80   268.000  1.529
   79    84   268.000  1.529
   79    88   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    66   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   367.000  1.471
   69    70   434.000  1.010
   69    71   434.000  1.010
   69    73   367.000  1.471
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   66    67   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    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    38    85.00000  114.68000
   29    33    40    85.00000  114.68000
   33    37    41    75.00000  109.43000
   33    37    45    75.00000  109.43000
   33    37    49    75.00000  109.43000
   33    38    39    70.00000  107.92000
   33    40    53   100.00000  112.36700
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    44    37.50000  110.70000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    48    37.50000  110.70000
   37    49    50    37.50000  110.70000
   37    49    51    37.50000  110.70000
   37    49    52    37.50000  110.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    37    41    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    37    41    58.35000  112.70000
   49    37    45    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   38    33    37    90.00000  110.19100
   40    33    37    90.00000  108.56700
   40    33    38   110.00000  112.08000
   40    53    54    70.00000  120.00000
   40    53    68    70.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    56    63.00000  120.00000
   53    68    61    63.00000  120.00000
   53    68    72    70.00000  120.00000
   54    56    57    63.00000  120.00000
   54    56    59    70.00000  120.00000
   56    54    55    35.00000  120.00000
   56    57    58    35.00000  120.00000
   56    57    61    63.00000  120.00000
   56    59    60    35.00000  109.50000
   56    59    63    70.00000  112.17500
   56    59    66    90.00000  112.51600
   57    61    62    35.00000  120.00000
   57    61    68    63.00000  120.00000
   61    57    58    35.00000  120.00000
   61    68    72    70.00000  120.00000
   68    53    54    63.00000  120.00000
   68    61    62    35.00000  120.00000
   68    72    77    85.00000  115.98000
   72    77    78    83.00000  123.40000
   72    77    79    81.00000  111.40000
   77    79    80    63.00000  111.10000
   77    79    84    63.00000  111.10000
   77    79    88    63.00000  111.10000
   79    77    78    80.00000  120.40000
   79    80    81    37.50000  110.70000
   79    80    82    37.50000  110.70000
   79    80    83    37.50000  110.70000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    87    37.50000  110.70000
   79    88    89    37.50000  110.70000
   79    88    90    37.50000  110.70000
   79    88    91    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    79    80    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    79    80    58.35000  112.70000
   88    79    84    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   59    56    57    70.00000  120.00000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    69    80.00000  111.20000
   59    66    67    55.00000  108.50000
   63    59    60    37.50000  110.70000
   63    69    70    35.00000  109.50000
   63    69    71    35.00000  109.50000
   63    69    73    75.00000  113.01200
   65    63    64    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    65    35.00000  109.50000
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    35.00000  109.50000
   71    69    70    35.00000  109.50000
   73    69    70    35.00000  109.50000
   73    69    71    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   66    59    60    35.00000  109.50000
   66    59    63    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    37    49   0.44750  1.0 1.0
   29    33    37    49  -0.17800 -1.0 2.0
   29    33    37    49   0.20200  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   29    33    40    53   0.14700  1.0 1.0
   29    33    40    53  -1.16150 -1.0 2.0
   29    33    40    53   0.48700  1.0 3.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    43   0.15000  1.0 3.0
   33    37    41    44   0.15000  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    47   0.15000  1.0 3.0
   33    37    45    48   0.15000  1.0 3.0
   33    37    49    50   0.15000  1.0 3.0
   33    37    49    51   0.15000  1.0 3.0
   33    37    49    52   0.15000  1.0 3.0
   33    40    53    54   1.63200 -1.0 2.0
   33    40    53    68   1.63200 -1.0 2.0
   37    33    38    39  -0.11600  1.0 1.0
   37    33    38    39  -0.09450 -1.0 2.0
   37    33    38    39   0.21250  1.0 3.0
   37    33    40    53  -0.32850  1.0 1.0
   37    33    40    53  -0.35800 -1.0 2.0
   37    33    40    53   0.33950  1.0 3.0
   41    37    45    46   0.15000  1.0 3.0
   41    37    45    47   0.15000  1.0 3.0
   41    37    45    48   0.15000  1.0 3.0
   41    37    49    50   0.15000  1.0 3.0
   41    37    49    51   0.15000  1.0 3.0
   41    37    49    52   0.15000  1.0 3.0
   45    37    41    42   0.15000  1.0 3.0
   45    37    41    43   0.15000  1.0 3.0
   45    37    41    44   0.15000  1.0 3.0
   45    37    49    50   0.15000  1.0 3.0
   45    37    49    51   0.15000  1.0 3.0
   45    37    49    52   0.15000  1.0 3.0
   49    37    41    42   0.15000  1.0 3.0
   49    37    41    43   0.15000  1.0 3.0
   49    37    41    44   0.15000  1.0 3.0
   49    37    45    46   0.15000  1.0 3.0
   49    37    45    47   0.15000  1.0 3.0
   49    37    45    48   0.15000  1.0 3.0
   38    33    37    41   0.86500  1.0 1.0
   38    33    37    41  -0.17500 -1.0 2.0
   38    33    37    41   0.20800  1.0 3.0
   38    33    37    45   0.86500  1.0 1.0
   38    33    37    45  -0.17500 -1.0 2.0
   38    33    37    45   0.20800  1.0 3.0
   38    33    37    49   0.86500  1.0 1.0
   38    33    37    49  -0.17500 -1.0 2.0
   38    33    37    49   0.20800  1.0 3.0
   38    33    40    53  -0.25600  1.0 1.0
   38    33    40    53  -0.40050 -1.0 2.0
   38    33    40    53   0.34700  1.0 3.0
   40    33    37    41   0.62750  1.0 1.0
   40    33    37    41  -0.30950 -1.0 2.0
   40    33    37    41   0.27300  1.0 3.0
   40    33    37    45   0.62750  1.0 1.0
   40    33    37    45  -0.30950 -1.0 2.0
   40    33    37    45   0.27300  1.0 3.0
   40    33    37    49   0.62750  1.0 1.0
   40    33    37    49  -0.30950 -1.0 2.0
   40    33    37    49   0.27300  1.0 3.0
   40    33    38    39  -0.50000  1.0 1.0
   40    33    38    39  -0.73950 -1.0 2.0
   40    33    38    39   0.17150  1.0 3.0
   40    53    54    55   3.62500 -1.0 2.0
   40    53    54    56   3.62500 -1.0 2.0
   40    53    68    61   3.62500 -1.0 2.0
   40    53    68    72   3.62500 -1.0 2.0
   53    54    56    57   3.62500 -1.0 2.0
   53    54    56    59   3.62500 -1.0 2.0
   53    68    72    77   0.01300  1.0 1.0
   53    68    72    77   0.97950 -1.0 2.0
   53    68    72    77  -0.55700  1.0 3.0
   54    53    68    61   3.62500 -1.0 2.0
   54    53    68    72   3.62500 -1.0 2.0
   54    56    57    58   3.62500 -1.0 2.0
   54    56   -57    61   3.62500 -1.0 2.0
   54    56    59    60   0.00000  1.0 1.0
   54    56    59    63   0.04150 -1.0 2.0
   54    56    59    66   0.14300 -1.0 2.0
   54    56    59    66   0.00300  1.0 3.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    59   3.62500 -1.0 2.0
   56    57    61    62   3.62500 -1.0 2.0
   56    57    61    68   3.62500 -1.0 2.0
   56    59    63    64   0.43200  1.0 3.0
   56    59    63    65   0.43200  1.0 3.0
   56    59    63    69   1.24050  1.0 1.0
   56    59    63    69   0.48100 -1.0 2.0
   56    59    63    69   1.08150  1.0 3.0
   56    59    66    67   0.31900  1.0 1.0
   56    59    66    67  -0.11800 -1.0 2.0
   56    59    66    67   0.38750  1.0 3.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    63   0.04150 -1.0 2.0
   57    56    59    66   0.14300 -1.0 2.0
   57    56    59    66   0.00300  1.0 3.0
   57    61   -68    53   3.62500 -1.0 2.0
   57    61    68    72   3.62500 -1.0 2.0
   58    57    61    62   3.62500 -1.0 2.0
   58    57    61    68   3.62500 -1.0 2.0
   61    68    72    77   0.01300  1.0 1.0
   61    68    72    77   0.97950 -1.0 2.0
   61    68    72    77  -0.55700  1.0 3.0
   62    61    68    53   3.62500 -1.0 2.0
   62    61    68    72   3.62500 -1.0 2.0
   68    53    54    55   3.62500 -1.0 2.0
   68    53   -54    56   3.62500 -1.0 2.0
   68    72    77    78   3.00000 -1.0 2.0
   68    72    77    79   0.75600  1.0 1.0
   68    72    77    79   1.63000 -1.0 2.0
   72    77    79    80   0.36750  1.0 3.0
   72    77    79    84   0.36750  1.0 3.0
   72    77    79    88   0.36750  1.0 3.0
   77    79    80    81  -0.11250  1.0 3.0
   77    79    80    82  -0.11250  1.0 3.0
   77    79    80    83  -0.11250  1.0 3.0
   77    79    84    85  -0.11250  1.0 3.0
   77    79    84    86  -0.11250  1.0 3.0
   77    79    84    87  -0.11250  1.0 3.0
   77    79    88    89  -0.11250  1.0 3.0
   77    79    88    90  -0.11250  1.0 3.0
   77    79    88    91  -0.11250  1.0 3.0
   78    77    79    80   0.30150 -1.0 2.0
   78    77    79    84   0.30150 -1.0 2.0
   78    77    79    88   0.30150 -1.0 2.0
   80    79    84    85   0.15000  1.0 3.0
   80    79    84    86   0.15000  1.0 3.0
   80    79    84    87   0.15000  1.0 3.0
   80    79    88    89   0.15000  1.0 3.0
   80    79    88    90   0.15000  1.0 3.0
   80    79    88    91   0.15000  1.0 3.0
   84    79    80    81   0.15000  1.0 3.0
   84    79    80    82   0.15000  1.0 3.0
   84    79    80    83   0.15000  1.0 3.0
   84    79    88    89   0.15000  1.0 3.0
   84    79    88    90   0.15000  1.0 3.0
   84    79    88    91   0.15000  1.0 3.0
   88    79    80    81   0.15000  1.0 3.0
   88    79    80    82   0.15000  1.0 3.0
   88    79    80    83   0.15000  1.0 3.0
   88    79    84    85   0.15000  1.0 3.0
   88    79    84    86   0.15000  1.0 3.0
   88    79    84    87   0.15000  1.0 3.0
   59    56    57    58   3.62500 -1.0 2.0
   59    56    57    61   3.62500 -1.0 2.0
   59    63    69    70   0.17350  1.0 3.0
   59    63    69    71   0.17350  1.0 3.0
   59    63    69    73   0.47100  1.0 1.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    69   0.19200  1.0 3.0
   60    59    66    67   0.19450  1.0 3.0
   63    59    66    67  -0.11600  1.0 1.0
   63    59    66    67  -0.09450 -1.0 2.0
   63    59    66    67   0.21250  1.0 3.0
   63    69    73    74   0.15000  1.0 3.0
   63    69    73    75   0.15000  1.0 3.0
   63    69    73    76   0.15000  1.0 3.0
   64    63    69    70   0.13050  1.0 3.0
   64    63    69    71   0.13050  1.0 3.0
   64    63    69    73   0.15000  1.0 3.0
   65    63    69    70   0.13050  1.0 3.0
   65    63    69    71   0.13050  1.0 3.0
   65    63    69    73   0.15000  1.0 3.0
   70    69    73    74   0.13050  1.0 3.0
   70    69    73    75   0.13050  1.0 3.0
   70    69    73    76   0.13050  1.0 3.0
   71    69    73    74   0.13050  1.0 3.0
   71    69    73    75   0.13050  1.0 3.0
   71    69    73    76   0.13050  1.0 3.0
   66    59    63    64   0.23400  1.0 3.0
   66    59    63    65   0.23400  1.0 3.0
   66    59    63    69   1.69300  1.0 1.0
   66    59    63    69  -0.48450 -1.0 2.0
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
   54    68    53    40   4.00000 -1.0 2.0
   56    55    54    53   1.10000 -1.0 2.0
   57    59    56    54   4.00000 -1.0 2.0
   61    58    57    56   1.10000 -1.0 2.0
   68    62    61    57   1.10000 -1.0 2.0
   61    72    68    53   4.00000 -1.0 2.0
   72    79    77    78  10.50000 -1.0 2.0
END
