* LIGAND DATABASE FILE (OPLS2005)
*
001      94    96    170    250     478
    1     0 S   NP   _N1_     1    29.44999    92.25432   -27.07060
    2     1 S   H    _HN1     2     1.02961   101.23543     5.54217
    3     1 S   H    _H1_     3     1.02828    11.45232  -116.05576
    4     1 S   H    _H2_     4     1.02774   119.38742  -113.15178
    5     1 S   CT   _CA1     5     1.50174   104.63694   120.23172
    6     5 S   HC   _HA1     6     1.09575   105.18779    69.38726
    7     5 S   CO3  _C1_     7     1.53834   112.42485   -50.62837
    8     7 S   O2Z  _O11     8     1.26361   115.04332   -40.08692
    9     7 S   O2Z  _O12     9     1.26244   114.95464   138.93183
   10     5 S   CT   _CB1    10     1.53057   107.31613  -172.78083
   11    10 S   HC   HB11    11     1.09820   109.30855   -50.41068
   12    10 S   HC   HB12    12     1.09756   110.34410    66.05010
   13    10 S   CT   _CG1    13     1.52961   112.84173  -171.60885
   14    13 S   HC   HG11    14     1.09578   110.36168   -62.88474
   15    13 S   HC   HG12    15     1.09633   110.12142    56.33627
   16    13 S   C    _CD1    16     1.51798   112.22687   176.54005
   17    16 S   O    _OE1    17     1.22724   123.28652    -9.27057
   18    16 S   N    _N2_    18     1.38543   111.70327   171.52822
   19    18 S   H    _HN2    19     1.01523   119.12098     5.13862
   20    18 S   CT1  _CA2    20     1.45746   122.72591  -178.60366
   21    20 S   HC   _HA2    21     1.09486   108.30238    28.52632
   22    20 S   C    _C2_    22     1.52945   108.32718   -87.99866
   23    22 S   O    _O2_    23     1.22928   123.19684   -20.94008
   24    20 S   CT   _CB2    32     1.53268   111.93932   151.79693
   25    24 S   HC   HB21    33     1.09649   109.96126    52.40363
   26    24 S   HC   HB22    34     1.09290   110.75209   169.58969
   27    22 S   N    _N3_    24     1.38660   112.13072   161.85615
   28    27 S   H    _HN3    25     1.01734   119.82770    -4.68626
   29    24 S   S    _SG2    35     1.83036   112.12723   -66.45862
   30    27 S   CT   _CA3    26     1.45350   123.01081   177.41404
   31    30 S   HC   HA31    27     1.09538   108.96145   -33.33849
   32    30 S   HC   HA32    28     1.09537   106.86007    83.33284
   33    29 S   CT   _C5_    36     1.87655   101.45545  -112.79143
   34    30 S   CO3  _C3_    29     1.52971   114.25721  -155.65725
   35    34 S   O2Z  _O31    30     1.26312   116.21935     7.54161
   36    34 S   O2Z  _O32    31     1.26477   114.34134  -172.79279
   37    33 S   CM   _C10    37     1.58253   112.18606    55.01241
   38    33 S   CT   _C4_    91     1.55237   106.78755   174.14124
   39    38 S   HC   _H5_    92     1.09716   111.80358    62.33014
   40    38 S   HC   _H6_    93     1.09341   113.56801   -58.01958
   41    38 S   HC   _H7_    94     1.09662   110.83707  -178.32194
   42    37 S   N4   _N4_    38     1.38642   115.49695  -132.32584
   43    37 S   CMA  _C11    69     1.38003   123.62205    52.39879
   44    43 S   OM   _O34    70     1.26944   126.44845  -177.20845
   45    42 S   C4   _C9_    39     1.36156   138.24455  -155.68610
   46    45 S   O    _O33    40     1.21069   135.94715    -0.45585
   47    42 S   C4T  _C7_    43     1.45557   125.79447    21.37854
   48    47 S   HC   _H3_    44     1.09687   112.56018    71.49970
   49    43 S   OS   _O35    71     1.41407   112.63244    -0.54321
   50    45 S   C4T  _C8_    41     1.54251    91.00199   174.86012
   51    50 S   HC   _H4_    42     1.09693   111.76775   116.42947
   52    47 S   S    _S1_    45     1.80890   109.57018   -56.88349
   53    49 S   CO   _C12    72     1.43009   114.92291   139.75881
   54    53 S   HC   _H10    73     1.09700   111.47686    68.74825
   55    53 S   HC   _H11    74     1.09623   109.93861   -52.05228
   56    33 S   CT   _C6_    46     1.56253   103.57078   -73.87778
   57    56 S   HC   _H8_    47     1.09673   111.38929   -73.78608
   58    56 S   HC   _H9_    48     1.09555   112.49926    44.88533
   59    50 S   N    _N5_    49     1.47840   113.93666  -116.42890
   60    59 S   H    _H21    50     1.01713   119.49728    10.55391
   61    53 S   OS   _O36    75     1.44064   110.06320  -168.78490
   62    59 S   C    _C18    51     1.37925   122.36152  -168.96693
   63    62 S   O    _O38    52     1.22071   128.39057    -0.61866
   64    61 S   CO4  _C13    76     1.36220   116.51977   -83.07340
   65    64 S   O    _O37    77     1.22567   125.13482    -3.00127
   66    62 S   CD   _C19    53     1.50605   112.93332   179.69610
   67    64 S   CT   _C14    78     1.53209   111.36435   174.17109
   68    66 S   C5B  _C21    54     1.45228   119.82191    91.81850
   69    66 S   NI   _N6_    63     1.29830   121.63143   -88.06631
   70    67 S   CT   _C15    79     1.53633   112.40011    27.28461
   71    70 S   HC   _H12    80     1.09592   111.18933   175.68457
   72    70 S   HC   _H13    81     1.09606   111.10104    55.47972
   73    70 S   HC   _H14    82     1.09604   111.69714   -64.53285
   74    67 S   CT   _C16    83     1.53331   107.53548   -93.73755
   75    74 S   HC   _H15    84     1.09547   111.33640  -177.98511
   76    74 S   HC   _H16    85     1.09619   111.12273    61.60644
   77    74 S   HC   _H17    86     1.09580   111.24158   -57.59430
   78    67 S   CT   _C17    87     1.53670   108.71206   147.26798
   79    78 S   HC   _H18    88     1.09572   111.32005   179.24179
   80    78 S   HC   _H19    89     1.09618   110.99782   -60.42569
   81    78 S   HC   _H20    90     1.09545   111.60791    59.05907
   82    68 S   C5A  _C22    55     1.38194   125.57818   179.68410
   83    82 S   HA   _H25    56     1.08110   128.85287    -0.24228
   84    69 S   OS   _O39    64     1.40198   111.37267    -0.22728
   85    82 S   SA   _S2_    57     1.71150   110.16740   179.67016
   86    84 S   CT   _C20    65     1.41960   108.19350   179.77971
   87    86 S   HC   _H22    66     1.09316   108.47410   180.00000
   88    86 S   HC   _H23    67     1.09443   110.33885    60.97324
   89    86 S   HC   _H24    68     1.09443   110.33170   -60.98334
   90    85 S   CRA  _C23    58     1.72265    89.90588    -0.03426
   91    68 S   N5B  _N7_    59     1.38682   120.07986    -0.55107
   92    90 S   NE   _N8_    60     1.34627   120.45883  -179.78420
   93    92 S   H    _H26    61     1.01426   121.36444   179.71745
   94    92 S   H    _H27    62     1.01391   122.05358    -0.10835
  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  12   5   4   3
  15   2   1   1  18   9   3   2   1  12   9   2   9   4  10   5
   5   8   4   4   6   3   2   2   1   1   6   3   6   7   3  14
   4   9  12   8   7  11   4   3   2   7   3   2   1   3   2   1
   1   5   3   4   5   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    52    56    57    58    43    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    45    47    52    56    57    58    43    44    49    38    39    40    41  
   35    36  
   36  
    0  
   42    45    46    50    47    48    52    56    57    58    43    44    49    53    38    39    40    41  
   39    40    41    42    43    52    56    57    58  
   40    41    56  
   41    56  
   56  
   45    46    50    51    47    48    52    56    59    43    44    49  
   44    49    53    54    55    61    45    47    56  
   49    53  
   46    50    51    47    48    52    59    60    62  
   50    51    47    59  
   48    52    56    57    58    59    60    62    50    51  
   52    56    59    50    51  
   53    54    55    61    64  
   51    52    56    59    60    62    63    66  
   52    59    60    62  
   56    57    58    59  
   54    55    61    64    65    67  
   55    61    64  
   61    64  
   57    58  
   58  
    0  
   60    62    63    66    68    69  
   62    63    66  
   64    65    67    70    74    78  
   63    66    68    82    91    69    84  
   66    68    69  
   65    67    70    71    72    73    74    75    76    77    78    79    80    81  
   67    70    74    78  
   68    82    83    85    90    91    69    84    86  
   70    71    72    73    74    75    76    77    78    79    80    81  
   82    83    85    90    91    92    69    84  
   84    86    87    88    89    82    91  
   71    72    73    74    75    76    77    78    79    80    81  
   72    73    74    78  
   73    74    78  
   74    78  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   83    85    90    91    92  
   85    90    91  
   86    87    88    89  
   90    91    92    93    94  
   87    88    89  
   88    89  
   89  
    0  
   91    92    93    94  
   92    93    94  
   93    94  
   94  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   53   3.5000   0.0660   0.171400   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   69   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   84   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   85   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   86   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   91   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   92   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   93   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   94   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    56   268.000  1.529
   33    38   268.000  1.529
   37    42   400.000  1.384
   37    43   465.000  1.376
   42    45   440.000  1.369
   42    47   305.000  1.456
   45    46   930.000  1.212
   45    50   250.000  1.540
   50    51   340.000  1.090
   50    47   268.000  1.529
   50    59   337.000  1.449
   47    48   340.000  1.090
   47    52   200.000  1.824
   52    56   222.000  1.810
   56    57   340.000  1.090
   56    58   340.000  1.090
   59    60   434.000  1.010
   59    62   490.000  1.335
   62    63   570.000  1.229
   62    66   270.000  1.486
   66    68   305.000  1.466
   66    69   500.000  1.261
   68    82   520.000  1.370
   68    91   410.000  1.394
   82    83   367.000  1.080
   82    85   265.000  1.745
   85    90   250.000  1.765
   90    91   488.000  1.335
   90    92   420.000  1.385
   92    93   434.000  1.010
   92    94   434.000  1.010
   69    84   320.000  1.394
   84    86   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    53   320.000  1.380
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   320.000  1.380
   61    64   214.000  1.327
   64    65   570.000  1.229
   64    67   317.000  1.522
   67    70   268.000  1.529
   67    74   268.000  1.529
   67    78   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    56    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  113.82800
   33    37    43    70.00000  124.00000
   33    56    52    75.00000  111.63000
   33    56    57    37.50000  110.70000
   33    56    58    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    45    50.00000  132.10000
   37    42    47    50.00000  132.70000
   37    43    44    65.00000  137.10300
   37    43    49    80.00000  120.01400
   42    45    46    75.00000  131.60000
   42    45    50    95.00000   92.72400
   42    47    50   105.00000   87.49700
   42    47    48    50.00000  112.01000
   42    47    52    80.00000  108.62000
   45    50    51    40.00000  113.37500
   45    50    47   100.00000   86.36000
   45    50    59    75.00000  110.24000
   50    45    46    60.00000  136.58000
   50    47    48    37.50000  110.70000
   50    47    52    65.00000  119.05700
   50    59    60    38.00000  118.40000
   50    59    62    50.00000  121.90000
   47    42    45   100.00000   93.00000
   47    50    51    37.50000  110.70000
   47    52    56    85.00000   99.86700
   52    47    48    45.00000  109.41400
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   56    33    37    70.00000  112.02700
   58    56    57    33.00000  107.80000
   59    50    51    50.00000  112.01000
   59    50    47    80.00000  110.05700
   59    62    63    80.00000  122.90000
   59    62    66    75.00000  109.57000
   62    59    60    35.00000  119.80000
   62    66    68    75.00000  114.44000
   62    66    69    65.00000  123.79500
   66    62    63    80.00000  120.45000
   66    68    82    60.00000  121.09900
   66    68    91    60.00000  126.00000
   66    69    84   100.00000  109.52600
   68    82    83    35.00000  130.70000
   68    82    85    80.00000  111.29200
   68    91    90    70.00000  110.00000
   82    85    90   120.00000   89.04400
   85    82    83    40.00000  122.38200
   85    90    91    80.00000  114.57700
   85    90    92    70.00000  122.29500
   90    92    93    35.00000  113.50000
   90    92    94    35.00000  113.50000
   91    68    82    70.00000  111.00000
   92    90    91    75.00000  125.31200
   94    92    93    35.00000  109.00000
   69    66    68    65.00000  124.33800
   69    84    86   110.00000  106.71400
   84    86    87    35.00000  109.50000
   84    86    88    35.00000  109.50000
   84    86    89    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   43    37    42    75.00000  120.83300
   43    49    53    85.00000  113.97000
   49    43    44    65.00000  121.00000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    61    92.60000  111.55000
   53    61    64    95.00000  111.08000
   55    53    54    33.00000  109.50000
   61    53    54    35.00000  109.50000
   61    53    55    35.00000  109.50000
   61    64    65    83.00000  123.40000
   61    64    67    81.00000  111.40000
   64    67    70    63.00000  111.10000
   64    67    74    63.00000  111.10000
   64    67    78    63.00000  111.10000
   67    64    65    80.00000  120.40000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    37.50000  110.70000
   67    78    79    37.50000  110.70000
   67    78    80    37.50000  110.70000
   67    78    81    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    67    70    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    67    70    58.35000  112.70000
   78    67    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    56    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    56    52   0.56750  1.0 1.0
   29    33    56    52  -0.07550 -1.0 2.0
   29    33    56    52   0.20000  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    58   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    45   0.00000  1.0 1.0
   33    37    42    47   0.00000  1.0 1.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    49   7.00000 -1.0 2.0
   37    33    56    52   0.56750  1.0 1.0
   37    33    56    52  -0.07550 -1.0 2.0
   37    33    56    52   0.20000  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    58   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    45    46   3.00000 -1.0 2.0
   37    42    45    50   3.00000 -1.0 2.0
   37    42   -47    50   0.00000  1.0 1.0
   37    42    47    48   0.00000  1.0 1.0
   37    42   -47    52   0.00000  1.0 1.0
   37    43    49    53  -2.26850  1.0 1.0
   37    43    49    53   3.39050 -1.0 2.0
   42    37    43    44   7.00000 -1.0 2.0
   42    37    43    49   7.00000 -1.0 2.0
   42    45    50    51   0.00000  1.0 1.0
   42    45   -50    47   3.00000 -1.0 2.0
   42    45    50    59   0.00000  1.0 1.0
   42    47    52    56   0.01700  1.0 1.0
   42    47    52    56  -0.23550 -1.0 2.0
   42    47    52    56   0.21350  1.0 3.0
   45    42   -47    50   0.00000  1.0 1.0
   45    42    47    48   0.00000  1.0 1.0
   45    42    47    52   0.00000  1.0 1.0
   45    50   -47    42   3.00000 -1.0 2.0
   45    50   -47    48   0.15000  1.0 3.0
   45    50   -47    52   0.00000  1.0 1.0
   45    50    59    60   0.00000  1.0 1.0
   45    50    59    62  -0.42300  1.0 1.0
   45    50    59    62  -0.07000 -1.0 2.0
   45    50    59    62   0.04150  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    47  -0.11250  1.0 1.0
   46    45    50    47   0.11400 -1.0 2.0
   46    45    50    47  -0.28950  1.0 3.0
   46    45    50    59   0.30150 -1.0 2.0
   50    47    52    56   0.25150  1.0 1.0
   50    47    52    56  -1.17200 -1.0 2.0
   50    47    52    56   0.53050  1.0 3.0
   50    59    62    63   3.04450 -1.0 2.0
   50    59    62    66   1.49850  1.0 1.0
   50    59    62    66   1.53950 -1.0 2.0
   51    50   -47    42   0.15000  1.0 3.0
   51    50    47    48   0.15000  1.0 3.0
   51    50    47    52   0.00000  1.0 1.0
   51    50    59    60   0.00000  1.0 1.0
   51    50    59    62   0.00000  1.0 1.0
   47    42   -45    46   3.00000 -1.0 2.0
   47    42   -45    50   3.00000 -1.0 2.0
   47    50    59    60   0.00000  1.0 1.0
   47    50    59    62  -0.43950  1.0 1.0
   47    50    59    62  -0.08100 -1.0 2.0
   47    50    59    62   0.03350  1.0 3.0
   47    52   -56    33  -0.25000 -1.0 2.0
   47    52   -56    33  -0.01800  1.0 3.0
   47    52    56    57   0.32350  1.0 3.0
   47    52    56    58   0.32350  1.0 3.0
   48    47    52    56   0.00000  1.0 1.0
   56    33   -37    42  -0.93550  1.0 1.0
   56    33   -37    42   0.38900 -1.0 2.0
   56    33   -37    42   0.16950  1.0 3.0
   56    33    37    43   0.09850  1.0 1.0
   56    33    37    43   0.15250 -1.0 2.0
   56    33    37    43  -0.50650  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    33    38    41   0.15000  1.0 3.0
   59    50   -47    42   2.20050  1.0 1.0
   59    50   -47    42   0.63450 -1.0 2.0
   59    50   -47    42  -0.91300  1.0 3.0
   59    50    47    48   0.15000  1.0 3.0
   59    50    47    52   0.00000  1.0 1.0
   59    62    66    68   1.50000 -1.0 2.0
   59    62    66    69   1.50000 -1.0 2.0
   60    59    62    63   2.45000 -1.0 2.0
   60    59    62    66   2.56700 -1.0 2.0
   62    66    68    82   0.30050 -1.0 2.0
   62    66    68    82   0.16600  1.0 3.0
   62    66    68    91   0.30050 -1.0 2.0
   62    66    68    91   0.16600  1.0 3.0
   62    66    69    84   6.00000 -1.0 2.0
   63    62    66    68   1.00000 -1.0 2.0
   63    62    66    69   1.00000 -1.0 2.0
   66    68    82    83   3.62500 -1.0 2.0
   66    68    82    85   3.62500 -1.0 2.0
   66    68    91    90   3.62500 -1.0 2.0
   66    69    84    86   1.50000 -1.0 2.0
   68    66    69    84   6.00000 -1.0 2.0
   68    82   -85    90   3.62500 -1.0 2.0
   82    68   -91    90   2.40000 -1.0 2.0
   82    85   -90    91   3.62500 -1.0 2.0
   82    85    90    92   3.62500 -1.0 2.0
   83    82    85    90   3.62500 -1.0 2.0
   85    90   -91    68   3.62500 -1.0 2.0
   85    90    92    93   0.47600 -1.0 2.0
   85    90    92    94   0.47600 -1.0 2.0
   91    68    82    83   3.62500 -1.0 2.0
   91    68   -82    85   3.62500 -1.0 2.0
   91    90    92    93   1.75000 -1.0 2.0
   91    90    92    94   1.75000 -1.0 2.0
   92    90    91    68   3.62500 -1.0 2.0
   69    66    68    82   1.02250 -1.0 2.0
   69    66    68    91   1.02250 -1.0 2.0
   69    84    86    87   0.37500  1.0 3.0
   69    84    86    88   0.37500  1.0 3.0
   69    84    86    89   0.37500  1.0 3.0
   43    37    42    45   0.00000  1.0 1.0
   43    37    42    47   0.00000  1.0 1.0
   43    49    53    54   0.08050  1.0 3.0
   43    49    53    55   0.08050  1.0 3.0
   43    49    53    61  -0.48150  1.0 1.0
   43    49    53    61   0.09250 -1.0 2.0
   43    49    53    61  -0.12850  1.0 3.0
   44    43    49    53   2.00000 -1.0 2.0
   49    53    61    64  -1.83450  1.0 1.0
   49    53    61    64  -0.02700 -1.0 2.0
   49    53    61    64  -0.20100  1.0 3.0
   53    61    64    65   3.00000 -1.0 2.0
   53    61    64    67   1.63150  1.0 1.0
   53    61    64    67   2.92000 -1.0 2.0
   54    53    61    64   0.08050  1.0 3.0
   55    53    61    64   0.08050  1.0 3.0
   61    64    67    70   0.36750  1.0 3.0
   61    64    67    74   0.36750  1.0 3.0
   61    64    67    78   0.36750  1.0 3.0
   64    67    70    71  -0.11250  1.0 3.0
   64    67    70    72  -0.11250  1.0 3.0
   64    67    70    73  -0.11250  1.0 3.0
   64    67    74    75  -0.11250  1.0 3.0
   64    67    74    76  -0.11250  1.0 3.0
   64    67    74    77  -0.11250  1.0 3.0
   64    67    78    79  -0.11250  1.0 3.0
   64    67    78    80  -0.11250  1.0 3.0
   64    67    78    81  -0.11250  1.0 3.0
   65    64    67    70   0.30150 -1.0 2.0
   65    64    67    74   0.30150 -1.0 2.0
   65    64    67    78   0.30150 -1.0 2.0
   70    67    74    75   0.15000  1.0 3.0
   70    67    74    76   0.15000  1.0 3.0
   70    67    74    77   0.15000  1.0 3.0
   70    67    78    79   0.15000  1.0 3.0
   70    67    78    80   0.15000  1.0 3.0
   70    67    78    81   0.15000  1.0 3.0
   74    67    70    71   0.15000  1.0 3.0
   74    67    70    72   0.15000  1.0 3.0
   74    67    70    73   0.15000  1.0 3.0
   74    67    78    79   0.15000  1.0 3.0
   74    67    78    80   0.15000  1.0 3.0
   74    67    78    81   0.15000  1.0 3.0
   78    67    70    71   0.15000  1.0 3.0
   78    67    70    72   0.15000  1.0 3.0
   78    67    70    73   0.15000  1.0 3.0
   78    67    74    75   0.15000  1.0 3.0
   78    67    74    76   0.15000  1.0 3.0
   78    67    74    77   0.15000  1.0 3.0
   38    33    37    42  -0.93550  1.0 1.0
   38    33    37    42   0.38900 -1.0 2.0
   38    33    37    42   0.16950  1.0 3.0
   38    33    37    43   0.09850  1.0 1.0
   38    33    37    43   0.15250 -1.0 2.0
   38    33    37    43  -0.50650  1.0 3.0
   38    33    56    52   0.44750  1.0 1.0
   38    33    56    52  -0.17800 -1.0 2.0
   38    33    56    52   0.20200  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    58   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    43   1.10000 -1.0 2.0
   47    45    42    37   1.00000 -1.0 2.0
   42    50    45    46  10.50000 -1.0 2.0
   60    62    59    50   1.00000 -1.0 2.0
   59    66    62    63  10.50000 -1.0 2.0
   62    68    66    69  10.50000 -1.0 2.0
   82    91    68    66   4.00000 -1.0 2.0
   85    83    82    68   1.10000 -1.0 2.0
   91    92    90    85   4.00000 -1.0 2.0
   94    90    92    93   1.00000 -1.0 2.0
   44    49    43    37   1.10000 -1.0 2.0
   61    67    64    65  10.50000 -1.0 2.0
END
