* LIGAND DATABASE FILE (OPLS2005)
*
001      92    92    171    255     508
    1     0 S   NP   _N1_     1    28.59952    95.36590   -21.55091
    2     1 S   H    _HN1     2     1.02778    91.71775   -86.49927
    3     1 S   H    _H1_     3     1.02960    84.28711    21.75133
    4     1 S   H    _H2_     4     1.02837    34.46133   153.52261
    5     1 S   CT   _CA1     5     1.50114   144.60100   139.37883
    6     5 S   HC   _HA1     6     1.09575   105.23778    67.63482
    7     5 S   CO3  _C1_     7     1.53791   112.40213   -52.58408
    8     7 S   O2Z  _O11     8     1.26358   115.00146   -43.70691
    9     7 S   O2Z  _O12     9     1.26240   114.92241   135.50813
   10     5 S   CT   _CB1    10     1.53102   107.43519  -174.45059
   11    10 S   HC   HB11    11     1.09823   109.34155   -50.89702
   12    10 S   HC   HB12    12     1.09819   110.41063    65.65754
   13    10 S   CT   _CG1    13     1.53002   112.66371  -172.00967
   14    13 S   HC   HG11    14     1.09599   110.42246   -63.57412
   15    13 S   HC   HG12    15     1.09651   109.99630    55.63562
   16    13 S   C    _CD1    16     1.51815   112.35581   175.99542
   17    16 S   O    _OE1    17     1.22714   123.27949    -2.90286
   18    16 S   N    _N2_    18     1.38607   111.59627   177.32870
   19    18 S   H    _HN2    19     1.01580   118.99013     1.56773
   20    18 S   CT1  _CA2    20     1.46181   123.43659  -179.76761
   21    20 S   HC   _HA2    21     1.09711   109.62911    -6.15902
   22    20 S   C    _C2_    22     1.53383   107.66705  -122.07037
   23    22 S   O    _O2_    23     1.22998   122.33752  -139.12761
   24    20 S   CT   _CB2    32     1.53216   111.58529   116.17020
   25    24 S   HC   HB21    33     1.09554   109.64896    56.88754
   26    24 S   HC   HB22    34     1.09469   110.02187   175.75951
   27    22 S   N    _N3_    24     1.38524   113.22568    47.35226
   28    27 S   H    _HN3    25     1.01521   118.96649    -0.31837
   29    24 S   S    _SG2    35     1.82711   112.21193   -63.87026
   30    27 S   CT   _CA3    26     1.45463   123.53507   175.62561
   31    30 S   HC   HA31    27     1.09514   109.41596    20.49311
   32    30 S   HC   HA32    28     1.09501   107.06591   137.52428
   33    29 S   CT   _C9_    36     1.85490    99.13650   171.26142
   34    33 S   HC   _H3_    37     1.08917   104.52977   -39.96231
   35    30 S   CO3  _C3_    29     1.52925   113.04156  -103.11184
   36    35 S   O2Z  _O31    30     1.26410   115.38913   -44.48319
   37    35 S   O2Z  _O32    31     1.26352   115.00187   136.44944
   38    33 S   CM   _C4_    38     1.51427   106.46172    78.68290
   39    38 S   HC   _H27    39     1.09395   113.40973    53.05127
   40    33 S   CT   _C14    62     1.56740   113.68955  -157.80217
   41    40 S   HC   _H35    63     1.09764   107.97534   -76.65761
   42    38 S   CMA  _C5_    40     1.35514   130.84518  -124.80775
   43    42 S   OM   _O21    41     1.26521   126.89384   175.73010
   44    40 S   CT   _C21    64     1.54130   112.76699    41.84880
   45    44 S   HC   _H50    65     1.09511   111.56268    54.38015
   46    44 S   HC   _H51    66     1.09427   111.54548   -66.82066
   47    44 S   HC   _H52    67     1.09344   111.67018   175.39419
   48    42 S   CT   _C10    42     1.55357   121.09677    -5.61842
   49    48 S   HC   _H31    43     1.08792   108.12724   -11.96145
   50    48 S   CT   _C8_    44     1.55173   112.04937   105.92429
   51    50 S   HC   _H28    45     1.09519   109.30305   -49.01417
   52    50 S   HC   _H29    46     1.09887   107.29286    64.64418
   53    48 S   CT   _C17    89     1.54560   112.26434  -126.78893
   54    53 S   HC   _H38    90     1.09560   111.81996   -76.70504
   55    53 S   HC   _H39    91     1.09387   111.28667   163.10297
   56    53 S   HC   _H40    92     1.09607   111.10115    44.36598
   57    50 S   CT   _C13    47     1.55327   115.99013  -173.93579
   58    57 S   HC   _H34    48     1.09264   109.75964   -32.32369
   59    57 S   CT   _C15    49     1.55648   116.11008    90.82651
   60    59 S   HC   _H36    50     1.09833   107.01861   174.93732
   61    57 S   CT   _C20    85     1.54243   108.03364  -147.12208
   62    61 S   HC   _H47    86     1.09520   111.64017   -59.15493
   63    61 S   HC   _H48    87     1.09525   110.96199  -180.00000
   64    61 S   HC   _H49    88     1.09565   110.62567    61.04427
   65    59 S   CT   _C12    51     1.54813   117.43821   -64.53296
   66    65 S   HC   _H33    52     1.09067   109.21202    58.87390
   67    59 S   OH   _O25    83     1.43164   109.54496    61.47576
   68    67 S   HO   _H58    84     0.97120   108.61274   -70.59852
   69    65 S   CO4  _C6_    53     1.53622   112.71920   -62.42375
   70    69 S   O    _O22    54     1.23226   121.49569   -17.28359
   71    65 S   CT   _C19    79     1.53642   110.24410   176.57846
   72    71 S   HC   _H44    80     1.09578   110.96463    60.04854
   73    71 S   HC   _H45    81     1.09480   111.41307   -60.66780
   74    71 S   HC   _H46    82     1.09394   111.85992   179.80021
   75    69 S   CT   _C11    55     1.53032   117.46389   163.15306
   76    75 S   HC   _H32    56     1.09512   108.55727    34.76743
   77    75 S   CO4  _C7_    57     1.51296   112.44104   -85.67206
   78    77 S   O    _O23    58     1.22291   124.54773   -71.93412
   79    75 S   CT   _C18    75     1.52767   111.10420   151.45131
   80    79 S   HC   _H41    76     1.09596   111.69852    63.04515
   81    79 S   HC   _H42    77     1.09532   110.80639   -56.99227
   82    79 S   HC   _H43    78     1.09549   110.78786  -177.15855
   83    77 S   OS   _O24    59     1.36207   109.41335   106.86975
   84    83 S   CT   _C16    60     1.45264   118.89999  -174.50007
   85    84 S   HC   _H37    61     1.09635   109.11961    34.90080
   86    84 S   CT   _C23    68     1.53892   108.31256   -82.46297
   87    86 S   HC   _H56    69     1.09572   110.88739   -52.51542
   88    86 S   HC   _H57    70     1.09728   108.64450    61.82730
   89    86 S   CT   _C22    71     1.51939   113.89752  -177.40943
   90    89 S   HC   _H53    72     1.09449   111.06140   -53.00627
   91    89 S   HC   _H54    73     1.09482   110.03602  -172.54136
   92    89 S   HC   _H55    74     1.09373   111.53557    68.30185
  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
  16   7   2   1   1  11   4  14   8  11   4   7   3   2   1  12
   8  16   6   5   4   2   1   1  13   8  16   7   5   2   1   1
  13   8   3   1  14   5   4   2   1   1   9   7   9   3   4   2
   1   1   6   8   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    84    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    83    84    85    40    41    44    45    46    47    86  
   38    39    42    84    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    49    50    84    40    41    44    53  
   42    43    48    40  
   41    44    45    46    47    86    87    88    89    42    77    83    84    85  
   44    45    46    47    86    83    84    85  
   43    48    49    50    51    52    57    53    54    55    56  
   48    49    50    53  
   45    46    47    86    83    84    85  
   46    47    84  
   47    84  
   84  
   49    50    51    52    57    58    59    61    53    54    55    56  
   50    51    52    57    53    54    55    56  
   51    52    57    58    59    60    65    67    61    62    63    64    53    54    55    56  
   52    57    58    59    61    53  
   57    58    59    61    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    65    66    69    71    67    68    61    62    63    64  
   59    60    65    67    61    62    63    64  
   60    65    66    69    70    75    71    72    73    74    67    68    61    62    63    64  
   65    66    69    71    67    68    61  
   62    63    64    65    67  
   63    64  
   64  
    0  
   66    69    70    75    76    77    79    71    72    73    74    67    68  
   69    70    75    71    72    73    74    67  
   68    69    71  
    0  
   70    75    76    77    78    83    79    80    81    82    71    72    73    74  
   75    76    77    79    71  
   72    73    74    75  
   73    74  
   74  
    0  
   76    77    78    83    84    79    80    81    82  
   77    78    83    79    80    81    82  
   78    83    84    85    86    79    80    81    82  
   83    84    79  
   80    81    82    83  
   81    82  
   82  
    0  
   84    85    86    87    88    89  
   85    86    87    88    89    90    91    92  
   86    87    88    89  
   87    88    89    90    91    92  
   88    89    90    91    92  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   92   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    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    48   270.000  1.512
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    67   320.000  1.410
   65    66   340.000  1.090
   65    69   317.000  1.522
   65    71   268.000  1.529
   69    70   570.000  1.229
   69    75   317.000  1.522
   75    76   340.000  1.090
   75    77   317.000  1.522
   75    79   268.000  1.529
   77    78   570.000  1.229
   77    83   214.000  1.327
   83    84   320.000  1.410
   84    85   340.000  1.090
   84    40   268.000  1.529
   84    86   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   67    68   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    84    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    48    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    48    49    45.00000  110.52000
   42    48    50    70.00000  112.02700
   42    48    53    70.00000  112.02700
   48    42    43    85.00000  112.85300
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    57    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    37.50000  110.70000
   50    48    49    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    58.35000  112.70000
   50    57    61    58.35000  112.70000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    65    58.35000  112.70000
   57    59    67    50.00000  109.50000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   59    57    58    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    69    63.00000  111.10000
   59    65    71    58.35000  112.70000
   59    67    68    55.00000  108.50000
   65    59    60    37.50000  110.70000
   65    69    70    80.00000  120.40000
   65    69    75    70.00000  116.00000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    37.50000  110.70000
   69    65    66    35.00000  109.50000
   69    75    76    35.00000  109.50000
   69    75    77    75.00000  107.99600
   69    75    79    63.00000  111.10000
   75    69    70    80.00000  120.40000
   75    77    78    80.00000  120.40000
   75    77    83    81.00000  111.40000
   75    79    80    37.50000  110.70000
   75    79    81    37.50000  110.70000
   75    79    82    37.50000  110.70000
   77    75    76    35.00000  109.50000
   77    83    84    83.00000  116.90000
   83    77    78    83.00000  123.40000
   83    84    85    35.00000  109.50000
   83    84    40    50.00000  109.50000
   83    84    86    50.00000  109.50000
   84    40    41    37.50000  110.70000
   84    40    44    58.35000  112.70000
   84    86    87    37.50000  110.70000
   84    86    88    37.50000  110.70000
   84    86    89    58.35000  112.70000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    84    85    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   86    84    85    37.50000  110.70000
   86    84    40    58.35000  112.70000
   86    89    90    37.50000  110.70000
   86    89    91    37.50000  110.70000
   86    89    92    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    37.50000  110.70000
   89    86    88    37.50000  110.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   79    75    76    37.50000  110.70000
   79    75    77    63.00000  111.10000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    69    63.00000  111.10000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   67    59    60    35.00000  109.50000
   67    59    65    50.00000  109.50000
   61    57    58    37.50000  110.70000
   61    57    59    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  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    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    84   0.44750  1.0 1.0
   29    33    40    84  -0.17800 -1.0 2.0
   29    33    40    84   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    84   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    84   0.34400  1.0 1.0
   38    33    40    84   0.09450 -1.0 2.0
   38    33    40    84   0.11100  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.09850  1.0 1.0
   38    42    48    50   0.15250 -1.0 2.0
   38    42    48    50  -0.50650  1.0 3.0
   38    42    48    53   0.09850  1.0 1.0
   38    42    48    53   0.15250 -1.0 2.0
   38    42    48    53  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    48   7.00000 -1.0 2.0
   42    48    50    51   0.15000  1.0 3.0
   42    48    50    52   0.15000  1.0 3.0
   42    48    50    57   0.34400  1.0 1.0
   42    48    50    57   0.09450 -1.0 2.0
   42    48    50    57   0.11100  1.0 3.0
   42    48    53    54   0.15000  1.0 3.0
   42    48    53    55   0.15000  1.0 3.0
   42    48    53    56   0.15000  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    50   0.09700  1.0 1.0
   43    42    48    50   0.15600 -1.0 2.0
   43    42    48    50  -0.50800  1.0 3.0
   43    42    48    53   0.09700  1.0 1.0
   43    42    48    53   0.15600 -1.0 2.0
   43    42    48    53  -0.50800  1.0 3.0
   48    50    57    58   0.15000  1.0 3.0
   48    50    57    59   0.56750  1.0 1.0
   48    50    57    59  -0.07550 -1.0 2.0
   48    50    57    59   0.20000  1.0 3.0
   48    50    57    61   0.56750  1.0 1.0
   48    50    57    61  -0.07550 -1.0 2.0
   48    50    57    61   0.20000  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    57   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    55   0.15000  1.0 3.0
   50    48    53    56   0.15000  1.0 3.0
   50    57    59    60   0.15000  1.0 3.0
   50    57    59    65   0.56750  1.0 1.0
   50    57    59    65  -0.07550 -1.0 2.0
   50    57    59    65   0.20000  1.0 3.0
   50    57    59    67   0.86500  1.0 1.0
   50    57    59    67  -0.17500 -1.0 2.0
   50    57    59    67   0.20800  1.0 3.0
   50    57    61    62   0.15000  1.0 3.0
   50    57    61    63   0.15000  1.0 3.0
   50    57    61    64   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    61   0.15000  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    61   0.15000  1.0 3.0
   57    59    65    66   0.15000  1.0 3.0
   57    59    65    69  -0.95700  1.0 1.0
   57    59    65    69  -0.18200 -1.0 2.0
   57    59    65    69   0.29450  1.0 3.0
   57    59    65    71   0.56750  1.0 1.0
   57    59    65    71  -0.07550 -1.0 2.0
   57    59    65    71   0.20000  1.0 3.0
   57    59    67    68  -0.11600  1.0 1.0
   57    59    67    68  -0.09450 -1.0 2.0
   57    59    67    68   0.21250  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    65   0.15000  1.0 3.0
   58    57    59    67   0.23400  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    64   0.15000  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    57    61    63   0.15000  1.0 3.0
   59    57    61    64   0.15000  1.0 3.0
   59    65    69    70   0.30150 -1.0 2.0
   59    65    69    75   0.60050  1.0 1.0
   59    65    69    75   0.05600 -1.0 2.0
   59    65    69    75   0.26150  1.0 3.0
   59    65    71    72   0.15000  1.0 3.0
   59    65    71    73   0.15000  1.0 3.0
   59    65    71    74   0.15000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    69  -0.11250  1.0 3.0
   60    59    65    71   0.15000  1.0 3.0
   60    59    67    68   0.19450  1.0 3.0
   65    59    67    68  -0.11600  1.0 1.0
   65    59    67    68  -0.09450 -1.0 2.0
   65    59    67    68   0.21250  1.0 3.0
   65    69    75    76   0.00000  1.0 1.0
   65    69    75    77   0.65300  1.0 1.0
   65    69    75    77  -0.03850 -1.0 2.0
   65    69    75    77   0.33900  1.0 3.0
   65    69    75    79   0.60050  1.0 1.0
   65    69    75    79   0.05600 -1.0 2.0
   65    69    75    79   0.26150  1.0 3.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    75   0.00000  1.0 1.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    74   0.15000  1.0 3.0
   69    65    71    72  -0.11250  1.0 3.0
   69    65    71    73  -0.11250  1.0 3.0
   69    65    71    74  -0.11250  1.0 3.0
   69    75    77    78   0.30150 -1.0 2.0
   69    75    77    83   0.40000  1.0 3.0
   69    75    79    80  -0.11250  1.0 3.0
   69    75    79    81  -0.11250  1.0 3.0
   69    75    79    82  -0.11250  1.0 3.0
   70    69    75    76   0.00000  1.0 1.0
   70    69    75    77   0.30150 -1.0 2.0
   70    69    75    79   0.30150 -1.0 2.0
   75    77    83    84   1.63150  1.0 1.0
   75    77    83    84   2.92000 -1.0 2.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    83   0.00000  1.0 1.0
   76    75    79    80   0.15000  1.0 3.0
   76    75    79    81   0.15000  1.0 3.0
   76    75    79    82   0.15000  1.0 3.0
   77    75    79    80  -0.11250  1.0 3.0
   77    75    79    81  -0.11250  1.0 3.0
   77    75    79    82  -0.11250  1.0 3.0
   77    83    84    85   0.08050  1.0 3.0
   77    83    84    40  -0.25900  1.0 1.0
   77    83    84    40  -0.47000 -1.0 2.0
   77    83    84    40   0.11750  1.0 3.0
   77    83    84    86  -0.25900  1.0 1.0
   77    83    84    86  -0.47000 -1.0 2.0
   77    83    84    86   0.11750  1.0 3.0
   78    77    83    84   3.00000 -1.0 2.0
   83    84    40    33   0.62750  1.0 1.0
   83    84    40    33  -0.30950 -1.0 2.0
   83    84    40    33   0.27300  1.0 3.0
   83    84    40    41   0.23400  1.0 3.0
   83    84    40    44   0.62750  1.0 1.0
   83    84    40    44  -0.30950 -1.0 2.0
   83    84    40    44   0.27300  1.0 3.0
   83    84    86    87   0.23400  1.0 3.0
   83    84    86    88   0.23400  1.0 3.0
   83    84    86    89   0.62750  1.0 1.0
   83    84    86    89  -0.30950 -1.0 2.0
   83    84    86    89   0.27300  1.0 3.0
   84    40    44    45   0.15000  1.0 3.0
   84    40    44    46   0.15000  1.0 3.0
   84    40    44    47   0.15000  1.0 3.0
   84    86    89    90   0.15000  1.0 3.0
   84    86    89    91   0.15000  1.0 3.0
   84    86    89    92   0.15000  1.0 3.0
   85    84    40    33   0.15000  1.0 3.0
   85    84    40    41   0.15000  1.0 3.0
   85    84    40    44   0.15000  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
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    84    86    87   0.15000  1.0 3.0
   40    84    86    88   0.15000  1.0 3.0
   40    84    86    89   0.56750  1.0 1.0
   40    84    86    89  -0.07550 -1.0 2.0
   40    84    86    89   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   86    84    40    33   0.56750  1.0 1.0
   86    84    40    33  -0.07550 -1.0 2.0
   86    84    40    33   0.20000  1.0 3.0
   86    84    40    41   0.15000  1.0 3.0
   86    84    40    44   0.56750  1.0 1.0
   86    84    40    44  -0.07550 -1.0 2.0
   86    84    40    44   0.20000  1.0 3.0
   87    86    89    90   0.15000  1.0 3.0
   87    86    89    91   0.15000  1.0 3.0
   87    86    89    92   0.15000  1.0 3.0
   88    86    89    90   0.15000  1.0 3.0
   88    86    89    91   0.15000  1.0 3.0
   88    86    89    92   0.15000  1.0 3.0
   79    75    77    78   0.30150 -1.0 2.0
   79    75    77    83   0.36750  1.0 3.0
   71    65    69    70   0.30150 -1.0 2.0
   71    65    69    75   0.60050  1.0 1.0
   71    65    69    75   0.05600 -1.0 2.0
   71    65    69    75   0.26150  1.0 3.0
   67    59    65    66   0.23400  1.0 3.0
   67    59    65    69  -0.09450  1.0 1.0
   67    59    65    69  -1.12950 -1.0 2.0
   67    59    65    69   0.54000  1.0 3.0
   67    59    65    71   0.86500  1.0 1.0
   67    59    65    71  -0.17500 -1.0 2.0
   67    59    65    71   0.20800  1.0 3.0
   61    57    59    60   0.15000  1.0 3.0
   61    57    59    65   0.56750  1.0 1.0
   61    57    59    65  -0.07550 -1.0 2.0
   61    57    59    65   0.20000  1.0 3.0
   61    57    59    67   0.86500  1.0 1.0
   61    57    59    67  -0.17500 -1.0 2.0
   61    57    59    67   0.20800  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    57   0.56750  1.0 1.0
   53    48    50    57  -0.07550 -1.0 2.0
   53    48    50    57   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   48    43    42    38   1.10000 -1.0 2.0
   65    75    69    70  10.50000 -1.0 2.0
   75    83    77    78  10.50000 -1.0 2.0
END
