* LIGAND DATABASE FILE (OPLS2005)
*
001      78    78    144    219     429
    1     0 S   NP   _N1_     1    28.69312    97.03493   -23.18999
    2     1 S   H    _HN1     2     1.02784   102.82226   -88.85896
    3     1 S   H    _H1_     3     1.02950    68.37990    16.05139
    4     1 S   H    _H2_     4     1.02829    43.04694   168.55809
    5     1 S   CT   _CA1     5     1.50110   142.62547   111.72722
    6     5 S   HC   _HA1     6     1.09572   105.20289    96.89894
    7     5 S   CO3  _C1_     7     1.53791   112.45594   -23.34724
    8     7 S   O2Z  _O11     8     1.26371   115.00670   -42.65670
    9     7 S   O2Z  _O12     9     1.26240   114.94909   136.49356
   10     5 S   CT   _CB1    10     1.53082   107.42389  -145.11187
   11    10 S   HC   HB11    11     1.09831   109.38604   -49.75593
   12    10 S   HC   HB12    12     1.09813   110.43963    66.85471
   13    10 S   CT   _CG1    13     1.52986   112.59966  -170.73968
   14    13 S   HC   HG11    14     1.09584   110.61295   -65.24750
   15    13 S   HC   HG12    15     1.09669   109.80451    53.98256
   16    13 S   C    _CD1    16     1.51798   112.25449   174.44064
   17    16 S   O    _OE1    17     1.22728   123.29841     5.99276
   18    16 S   N    _N2_    18     1.38651   111.64771  -174.10888
   19    18 S   H    _HN2    19     1.01580   118.93726     1.81165
   20    18 S   CT1  _CA2    20     1.46197   123.40618   177.80420
   21    20 S   HC   _HA2    21     1.09735   109.36855     2.13753
   22    20 S   C    _C2_    22     1.53541   108.63019  -113.36843
   23    22 S   O    _O2_    23     1.23059   122.27178  -148.04957
   24    20 S   CT   _CB2    32     1.53339   111.55296   124.15044
   25    24 S   HC   HB21    33     1.09585   110.05622    56.16037
   26    24 S   HC   HB22    34     1.09460   110.03543   175.27831
   27    22 S   N    _N3_    24     1.38327   113.70552    39.40034
   28    27 S   H    _HN3    25     1.01586   119.58346    -3.33988
   29    24 S   S    _SG2    35     1.82803   111.49134   -64.82141
   30    27 S   CT   _CA3    26     1.45286   123.20294   177.11032
   31    30 S   HC   HA31    27     1.09549   107.50993   -64.56608
   32    30 S   HC   HA32    28     1.09557   107.98482    51.86972
   33    29 S   CT   _C11    36     1.84113    99.81901   170.71185
   34    33 S   HC   _H3_    37     1.09815   106.66032   -50.37000
   35    30 S   CO3  _C3_    29     1.52959   114.08500   173.86752
   36    35 S   O2Z  _O31    30     1.26376   116.06748    -0.68700
   37    35 S   O2Z  _O32    31     1.26428   114.41224   179.37442
   38    33 S   CT   _C8_    38     1.54425   109.54210    66.73034
   39    38 S   HC   _H24    39     1.09812   110.55035    32.36427
   40    38 S   HC   _H25    40     1.09725   107.92429   -83.69865
   41    38 S   CT   _C10    41     1.55038   114.35321   153.54926
   42    41 S   HC   _H27    42     1.09958   106.21781   -83.53419
   43    41 S   CT   _C7_    43     1.53373   108.92972    32.30568
   44    43 S   HC   _H22    44     1.09302   111.42321   178.49611
   45    43 S   HC   _H23    45     1.09535   111.66738    57.27910
   46    41 S   CT   _C18    54     1.56398   112.57593   158.80070
   47    43 S   CO4  _C4_    46     1.51508   109.89079   -63.13159
   48    47 S   O    _O16    47     1.23165   120.23229  -147.83590
   49    46 S   CT   _C15    55     1.53922   111.40565    52.17411
   50    49 S   HC   _H38    56     1.09638   110.78459   175.46326
   51    49 S   HC   _H39    57     1.09540   111.49053   -67.33604
   52    49 S   HC   _H40    58     1.09436   111.92863    54.49396
   53    46 S   CT   _C16    59     1.55304   113.35042   176.87526
   54    53 S   HC   _H41    60     1.09891   109.06331  -178.63398
   55    53 S   HC   _H42    61     1.09745   109.71353    68.40841
   56    46 S   OH   _O18    77     1.43604   107.76069   -65.09120
   57    56 S   HO   _H44    78     0.97269   108.05616   177.85488
   58    33 S   CT   _C9_    48     1.54371   112.27263  -168.15460
   59    58 S   HC   _H26    49     1.09786   109.96400   -66.47046
   60    53 S   CM   _C5_    62     1.50405   114.96437   -57.41244
   61    60 S   HC   _H20    63     1.08566   116.31832   -64.01937
   62    58 S   CT   _C12    50     1.53245   113.66643    55.65930
   63    62 S   HC   _H29    51     1.09568   111.08644    55.99061
   64    62 S   HC   _H30    52     1.09371   112.02304   -65.42983
   65    62 S   HC   _H31    53     1.09583   111.04693   175.47078
   66    60 S   CM   _C6_    64     1.34271   123.48415   116.16416
   67    66 S   HC   _H21    65     1.08979   117.78047     0.22206
   68    66 S   CT   _C17    66     1.51111   127.43468  -179.06330
   69    68 S   CT   _C13    67     1.53261   109.15170   117.24568
   70    69 S   HC   _H32    68     1.09630   110.91050   175.70760
   71    69 S   HC   _H33    69     1.09676   111.18446    57.83852
   72    69 S   HC   _H34    70     1.09562   111.69155   -63.35024
   73    68 S   CT   _C14    71     1.53240   115.36521    -7.06155
   74    73 S   HC   _H35    72     1.09654   110.75890  -176.51418
   75    73 S   HC   _H36    73     1.09635   111.07636   -58.96543
   76    73 S   HC   _H37    74     1.09522   112.01296    62.89087
   77    68 S   OH   _O17    75     1.43157   106.45045  -126.37689
   78    77 S   HO   _H43    76     0.97237   108.02140  -176.01169
  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  10   5   4   3
  16   8   2   1   1  15   6   5  18   8  11   5   4  13   7   3
   9   4   3   2   9   5   4   2   1   5   4   7   3   3   2   1
   1  12   4  10   9   4   3   2   5   3   2   1   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    58    59    62  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    47    48    58    59    62    63    64    65    46  
   38    39    40    41    47    58    59    62  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    58    59    62    46    49    53    56  
   40    41    42    43    58    46  
   41    42    43    58    46  
   42    43    44    45    47    48    58    46    49    50    51    52    53    54    55    60    56    57  
   43    44    45    47    46    49    53    56  
   44    45    47    48    58    59    62    46    49    53    56  
   45    47    48    58    46  
   47    48    58    46  
   49    50    51    52    53    54    55    60    61    66    56    57    47  
   48    58    59    62    63    64    65  
   58    59    62  
   50    51    52    53    54    55    60    56    57  
   51    52    53    56  
   52    53    56  
   53    56  
   54    55    60    61    66    67    68    56    57  
   55    60    61    66    56  
   60    61    66    56  
   57    60  
    0  
   59    62    63    64    65  
   62    63    64    65  
   61    66    67    68    69    73    77  
   66    67    68  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73    74    75    76    77    78  
   68    69    73    77  
   69    70    71    72    73    74    75    76    77    78  
   70    71    72    73    74    75    76    77    78  
   71    72    73    77  
   72    73    77  
   73    77  
   74    75    76    77    78  
   75    76    77  
   76    77  
   77  
   78  
    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   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   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    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   268.000  1.529
   33    58   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   317.000  1.522
   47    48   570.000  1.229
   47    58   317.000  1.522
   58    59   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   46    49   268.000  1.529
   46    53   268.000  1.529
   46    56   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   317.000  1.510
   60    61   340.000  1.080
   60    66   549.000  1.340
   66    67   340.000  1.080
   66    68   317.000  1.510
   68    69   268.000  1.529
   68    73   268.000  1.529
   68    77   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   553.000  0.945
   56    57   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    58    47    63.00000  111.10000
   33    58    59    37.50000  110.70000
   33    58    62    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    47    63.00000  111.10000
   41    46    49    58.35000  112.70000
   41    46    53    58.35000  112.70000
   41    46    56    50.00000  109.50000
   43    41    42    37.50000  110.70000
   43    47    48    80.00000  120.40000
   43    47    58    70.00000  116.00000
   45    43    44    33.00000  107.80000
   47    43    44    35.00000  109.50000
   47    43    45    35.00000  109.50000
   47    58    59    35.00000  109.50000
   47    58    62    63.00000  111.10000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    47    48    80.00000  120.40000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   62    58    59    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    58.35000  112.70000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    37.50000  110.70000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    60    70.00000  112.02700
   46    56    57    55.00000  108.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    46    49    58.35000  112.70000
   53    60    61    35.00000  117.00000
   53    60    66    70.00000  124.00000
   55    53    54    33.00000  107.80000
   60    53    54    35.00000  109.50000
   60    53    55    35.00000  109.50000
   60    66    67    35.00000  120.00000
   60    66    68    70.00000  124.00000
   66    60    61    35.00000  120.00000
   66    68    69    70.00000  112.02700
   66    68    73    70.00000  112.02700
   66    68    77    90.00000  110.39200
   68    66    67    35.00000  117.00000
   68    69    70    37.50000  110.70000
   68    69    71    37.50000  110.70000
   68    69    72    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   68    77    78    55.00000  108.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    68    69    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    68    69    50.00000  109.50000
   77    68    73    50.00000  109.50000
   56    46    49    50.00000  109.50000
   56    46    53    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    58    47   0.56750  1.0 1.0
   29    33    58    47  -0.07550 -1.0 2.0
   29    33    58    47   0.20000  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    62   0.44750  1.0 1.0
   29    33    58    62  -0.17800 -1.0 2.0
   29    33    58    62   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.56750  1.0 1.0
   33    38    41    46  -0.07550 -1.0 2.0
   33    38    41    46   0.20000  1.0 3.0
   33    58    62    63   0.15000  1.0 3.0
   33    58    62    64   0.15000  1.0 3.0
   33    58    62    65   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    58    47  -0.11250  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    62   0.15000  1.0 3.0
   38    33    58    47  -0.95700  1.0 1.0
   38    33    58    47  -0.18200 -1.0 2.0
   38    33    58    47   0.29450  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    62   0.56750  1.0 1.0
   38    33    58    62  -0.07550 -1.0 2.0
   38    33    58    62   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    47  -0.95700  1.0 1.0
   38    41   -43    47  -0.18200 -1.0 2.0
   38    41   -43    47   0.29450  1.0 3.0
   38    41    46    49   0.56750  1.0 1.0
   38    41    46    49  -0.07550 -1.0 2.0
   38    41    46    49   0.20000  1.0 3.0
   38    41    46    53   0.56750  1.0 1.0
   38    41    46    53  -0.07550 -1.0 2.0
   38    41    46    53   0.20000  1.0 3.0
   38    41    46    56   0.86500  1.0 1.0
   38    41    46    56  -0.17500 -1.0 2.0
   38    41    46    56   0.20800  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.15000  1.0 3.0
   41    43    47    48   0.30150 -1.0 2.0
   41    43    47    58   0.60050  1.0 1.0
   41    43    47    58   0.05600 -1.0 2.0
   41    43    47    58   0.26150  1.0 3.0
   41    46    49    50   0.15000  1.0 3.0
   41    46    49    51   0.15000  1.0 3.0
   41    46    49    52   0.15000  1.0 3.0
   41    46    53    54   0.15000  1.0 3.0
   41    46    53    55   0.15000  1.0 3.0
   41    46    53    60   0.34400  1.0 1.0
   41    46    53    60   0.09450 -1.0 2.0
   41    46    53    60   0.11100  1.0 3.0
   41    46    56    57  -0.11600  1.0 1.0
   41    46    56    57  -0.09450 -1.0 2.0
   41    46    56    57   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47  -0.11250  1.0 3.0
   42    41    46    49   0.15000  1.0 3.0
   42    41    46    53   0.15000  1.0 3.0
   42    41    46    56   0.23400  1.0 3.0
   43    41    46    49   0.56750  1.0 1.0
   43    41    46    49  -0.07550 -1.0 2.0
   43    41    46    49   0.20000  1.0 3.0
   43    41    46    53   0.56750  1.0 1.0
   43    41    46    53  -0.07550 -1.0 2.0
   43    41    46    53   0.20000  1.0 3.0
   43    41    46    56   0.86500  1.0 1.0
   43    41    46    56  -0.17500 -1.0 2.0
   43    41    46    56   0.20800  1.0 3.0
   43    47   -58    33   0.60050  1.0 1.0
   43    47   -58    33   0.05600 -1.0 2.0
   43    47   -58    33   0.26150  1.0 3.0
   43    47    58    59   0.00000  1.0 1.0
   43    47    58    62   0.60050  1.0 1.0
   43    47    58    62   0.05600 -1.0 2.0
   43    47    58    62   0.26150  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    58   0.00000  1.0 1.0
   45    43    47    48   0.00000  1.0 1.0
   45    43    47    58   0.00000  1.0 1.0
   47    58    62    63  -0.11250  1.0 3.0
   47    58    62    64  -0.11250  1.0 3.0
   47    58    62    65  -0.11250  1.0 3.0
   48    47    58    33   0.30150 -1.0 2.0
   48    47    58    59   0.00000  1.0 1.0
   48    47    58    62   0.30150 -1.0 2.0
   58    33    38    39   0.15000  1.0 3.0
   58    33    38    40   0.15000  1.0 3.0
   58    33   -38    41   0.56750  1.0 1.0
   58    33   -38    41  -0.07550 -1.0 2.0
   58    33   -38    41   0.20000  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   46    41    43    44   0.15000  1.0 3.0
   46    41    43    45   0.15000  1.0 3.0
   46    41    43    47  -0.95700  1.0 1.0
   46    41    43    47  -0.18200 -1.0 2.0
   46    41    43    47   0.29450  1.0 3.0
   46    53    60    61   0.00000  1.0 1.0
   46    53    60    66   0.09850  1.0 1.0
   46    53    60    66   0.15250 -1.0 2.0
   46    53    60    66  -0.50650  1.0 3.0
   49    46    53    54   0.15000  1.0 3.0
   49    46    53    55   0.15000  1.0 3.0
   49    46    53    60   0.34400  1.0 1.0
   49    46    53    60   0.09450 -1.0 2.0
   49    46    53    60   0.11100  1.0 3.0
   49    46    56    57  -0.11600  1.0 1.0
   49    46    56    57  -0.09450 -1.0 2.0
   49    46    56    57   0.21250  1.0 3.0
   53    46    49    50   0.15000  1.0 3.0
   53    46    49    51   0.15000  1.0 3.0
   53    46    49    52   0.15000  1.0 3.0
   53    46    56    57  -0.11600  1.0 1.0
   53    46    56    57  -0.09450 -1.0 2.0
   53    46    56    57   0.21250  1.0 3.0
   53    60    66    67   7.00000 -1.0 2.0
   53    60    66    68   7.00000 -1.0 2.0
   54    53    60    61   0.33100  1.0 3.0
   54    53    60    66   0.00000  1.0 1.0
   55    53    60    61   0.33100  1.0 3.0
   55    53    60    66   0.00000  1.0 1.0
   60    66    68    69   0.09850  1.0 1.0
   60    66    68    69   0.15250 -1.0 2.0
   60    66    68    69  -0.50650  1.0 3.0
   60    66    68    73   0.09850  1.0 1.0
   60    66    68    73   0.15250 -1.0 2.0
   60    66    68    73  -0.50650  1.0 3.0
   60    66    68    77   0.67800  1.0 1.0
   60    66    68    77   0.47050 -1.0 2.0
   60    66    68    77  -0.62500  1.0 3.0
   61    60    66    67   7.00000 -1.0 2.0
   61    60    66    68   7.00000 -1.0 2.0
   66    68    69    70   0.15000  1.0 3.0
   66    68    69    71   0.15000  1.0 3.0
   66    68    69    72   0.15000  1.0 3.0
   66    68    73    74   0.15000  1.0 3.0
   66    68    73    75   0.15000  1.0 3.0
   66    68    73    76   0.15000  1.0 3.0
   66    68    77    78  -0.07800  1.0 1.0
   66    68    77    78  -0.21500 -1.0 2.0
   66    68    77    78  -0.03150  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    73   0.00000  1.0 1.0
   67    66    68    77   0.00000  1.0 1.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.15000  1.0 3.0
   69    68    77    78  -0.11600  1.0 1.0
   69    68    77    78  -0.09450 -1.0 2.0
   69    68    77    78   0.21250  1.0 3.0
   73    68    69    70   0.15000  1.0 3.0
   73    68    69    71   0.15000  1.0 3.0
   73    68    69    72   0.15000  1.0 3.0
   73    68    77    78  -0.11600  1.0 1.0
   73    68    77    78  -0.09450 -1.0 2.0
   73    68    77    78   0.21250  1.0 3.0
   77    68    69    70   0.23400  1.0 3.0
   77    68    69    71   0.23400  1.0 3.0
   77    68    69    72   0.23400  1.0 3.0
   77    68    73    74   0.23400  1.0 3.0
   77    68    73    75   0.23400  1.0 3.0
   77    68    73    76   0.23400  1.0 3.0
   56    46    49    50   0.23400  1.0 3.0
   56    46    49    51   0.23400  1.0 3.0
   56    46    49    52   0.23400  1.0 3.0
   56    46    53    54   0.23400  1.0 3.0
   56    46    53    55   0.23400  1.0 3.0
   56    46    53    60   1.05650  1.0 1.0
   56    46    53    60   0.15600 -1.0 2.0
   56    46    53    60   0.53150  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
   43    58    47    48  10.50000 -1.0 2.0
   53    61    60    66  15.00000 -1.0 2.0
   68    67    66    60  15.00000 -1.0 2.0
END
