* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    141    208     402
    1     0 S   NP   _N1_     1    29.74644    91.62502   -20.28908
    2     1 S   H    _HN1     2     1.03512   111.52019   -23.04818
    3     1 S   H    _H1_     3     1.03495   111.95170    94.92402
    4     1 S   H    _H2_     4     1.02749     7.24703    38.92546
    5     1 S   CT   _CA1     5     1.50312   104.20632  -143.95707
    6     5 S   HC   _HA1     6     1.09668   104.52648    66.30248
    7     5 S   CO3  _C1_     7     1.54288   111.60231   -49.57141
    8     7 S   O2Z  _O11     8     1.26087   116.76315  -123.69326
    9     7 S   O2Z  _O12     9     1.26623   113.90854    56.07330
   10     5 S   CT   _CB1    10     1.52893   106.59330  -177.67982
   11    10 S   HC   HB11    11     1.09586   109.46797   -41.10190
   12    10 S   HC   HB12    12     1.09769   110.13100    74.86553
   13    10 S   CT   _CG1    13     1.53036   113.39365  -161.67608
   14    13 S   HC   HG11    14     1.09457   111.77273   -69.09958
   15    13 S   HC   HG12    15     1.09590   110.79149    50.73505
   16    13 S   C    _CD1    16     1.51426   109.31411   169.68556
   17    16 S   O    _OE1    17     1.22835   121.80312  -100.79139
   18    16 S   N    _N2_    18     1.38397   112.82162    76.86152
   19    18 S   H    _HN2    19     1.01611   119.06877     5.94577
   20    18 S   CT1  _CA2    20     1.46008   123.17249  -172.01756
   21    20 S   HC   _HA2    21     1.09594   109.24853    -3.24039
   22    20 S   C    _C2_    22     1.53264   109.21029  -118.83604
   23    22 S   O    _O2_    23     1.23044   122.10281  -145.65478
   24    20 S   CT   _CB2    32     1.53481   111.31449   118.40179
   25    24 S   HC   HB21    33     1.09668   109.44239    65.08312
   26    24 S   HC   HB22    34     1.09512   111.05798  -177.78636
   27    22 S   N    _N3_    24     1.38463   113.51185    42.06529
   28    27 S   H    _HN3    25     1.01501   119.03504    -0.97679
   29    24 S   S    _SG2    35     1.82927   114.33200   -53.90724
   30    27 S   CT   _CA3    26     1.45411   123.05894   174.37698
   31    30 S   HC   HA31    27     1.09554   108.69684    33.40529
   32    30 S   HC   HA32    28     1.09478   107.20352   150.39830
   33    29 S   CT   _C11    36     1.82386   100.73925   -70.01716
   34    33 S   HC   _H5_    37     1.09599   109.72739    52.27802
   35    30 S   CO3  _C3_    29     1.53025   113.78229   -89.55616
   36    35 S   O2Z  _O31    30     1.26355   115.83644   -32.92167
   37    35 S   O2Z  _O32    31     1.26421   114.67380   147.97159
   38    33 S   CT   _C10    38     1.52194   114.75549   -71.47914
   39    38 S   HC   _H4_    39     1.09424   114.01260    79.55936
   40    38 S   CO   _C9_    40     1.52942   100.39647  -160.53102
   41    40 S   HC   _H3_    41     1.09757   109.67543   -82.03891
   42    38 S   OH   _O45    77     1.42523   111.04778   -43.11958
   43    42 S   HO   _H12    78     0.97344   107.21305    57.90429
   44    40 S   N*   _N7_    42     1.44705   116.26855   155.88420
   45    40 S   OS   _O34    57     1.44016   107.35531    32.26473
   46    44 S   CRAB _C4_    43     1.37556   124.62193    98.77268
   47    46 S   HA   _H7_    44     1.08185   122.28634    -0.07662
   48    33 S   CT   _C12    58     1.53306   111.99674   173.16020
   49    48 S   HC   _H6_    59     1.09609   111.86853    43.09421
   50    46 S   NNA  _N4_    45     1.31809   112.36460   179.90309
   51    48 S   CT   _C13    60     1.52745   113.27512   -83.27628
   52    51 S   HC   _H9_    61     1.09176   111.20494    45.12737
   53    51 S   HC   _H10    62     1.09482   110.76440   -75.17224
   54    50 S   CB   _C5_    46     1.36435   103.99194     0.18767
   55    51 S   OS   _O35    63     1.42704   110.03431   166.71597
   56    44 S   CN   _C8_    47     1.36730   128.60233   -81.03647
   57    55 S   P2   _P1_    64     1.63881   119.06661  -103.69546
   58    57 S   O2Z  _O37    65     1.51441   108.92444   -53.69590
   59    57 S   O2Z  _O36    66     1.51190   108.03592   173.88929
   60    56 S   NNC  _N6_    48     1.35327   127.03706     0.57539
   61    57 S   OS   _O38    67     1.62042    98.57283    60.34435
   62    60 S   CDX  _C7_    49     1.31225   113.63370   179.55721
   63    61 S   P2   _P2_    68     1.62011   133.50728  -168.12868
   64    63 S   O2Z  _O40    69     1.51441   108.67170    71.07623
   65    63 S   O2Z  _O39    70     1.51106   109.73169   -62.67816
   66    62 S   NNB  _N5_    50     1.40710   122.73234     0.06561
   67    66 S   H    _H8_    51     1.01361   117.85860   179.96574
   68    62 S   NND  _N8_    54     1.36579   121.67803  -179.83687
   69    68 S   H    _H13    55     1.01985   120.14825     1.28710
   70    68 S   H    _H14    56     1.01185   122.62125   179.46808
   71    63 S   OS   _O41    71     1.62820    97.99795  -176.66106
   72    54 S   C    _C6_    52     1.43874   128.71910   179.61743
   73    72 S   O    _O33    53     1.22515   124.11093     0.45024
   74    71 S   P2   _P3_    72     1.62521   130.75561    72.55722
   75    74 S   O2Z  _O44    73     1.51143   109.50642   102.22610
   76    74 S   O2Z  _O42    74     1.51114   110.06102   -33.11152
   77    74 S   OS   _O43    75     1.63202    98.61188  -144.93414
   78    77 S   HO   _H11    76     0.98074   115.94081    84.08377
  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
  15   8   2   1   1  12   7  14   6   4   1  10   8   6   3   6
   4   6   7   3   2   7   5   6   7   3   2   7   5   7   7   3
   2   6   3   3   1   1   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    48    49    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    48    49    51    52    53    55    42    43  
   38    39    40    45    48    49    51    42  
   36    37  
   37  
    0  
   39    40    41    44    46    56    45    48    49    51    42    43  
   40    41    44    45    48    42    43  
   41    44    46    47    50    54    56    60    45    48    49    51    42    43  
   44    46    56    45    48    42  
   43    44    45    48  
    0  
   46    47    50    54    56    60    62    72    45    48  
   48    49    51    52    53    55    46    56  
   47    50    54    56    60    72  
   50    54    56  
   49    51    52    53    55    57  
   51    52    53    55  
   54    56    60    66    72    73  
   52    53    55    57    58    59    61  
   53    55    57  
   55    57  
   56    60    62    66    67    72    73  
   57    58    59    61    63  
   60    62    66    72    73    68  
   58    59    61    63    64    65    71  
   59    61    63  
   61    63  
   62    66    67    72    68    69    70  
   63    64    65    71    74  
   66    67    72    73    68    69    70  
   64    65    71    74    75    76    77  
   65    71    74  
   71    74  
   67    72    73    68    69    70  
   72    73    68  
   69    70    72  
   70  
    0  
   74    75    76    77    78  
   73  
    0  
   75    76    77    78  
   76    77    78  
   77    78  
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   45   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   51   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0800   0.120000   2.5000   1.7750   0.001000000  -0.843144165
   55   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0800   0.340000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   3.2500   0.1700  -0.510000   1.9250   1.7000   0.054801302  -2.445846770
   61   2.8500   0.1400  -0.585500   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0800   0.460000   2.1120   1.8750   0.001000000  -0.126889456
   63   3.7400   0.2000   2.264800   2.1070   1.8700   0.005000000   0.000000000
   64   2.9800   0.2000  -1.058000   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -1.058000   1.6890   1.4900   0.001000000  -0.126889456
   66   3.2500   0.1700  -0.560000   2.1120   1.8750   0.051222218  -2.220205820
   67   0.0000   0.0000   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   68   3.2500   0.1700  -0.800000   2.1120   1.8750   0.051222218  -2.220205820
   69   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   71   2.8500   0.1400  -0.585500   1.5900   1.4000   0.020110767  -0.896042159
   72   3.7500   0.1050   0.520000   1.9250   1.7000   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.510000   1.5250   1.4250   0.001000000  -1.480495490
   74   3.7400   0.2000   1.263600   2.1070   1.8700   0.005000000   0.000000000
   75   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   76   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   77   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.380000   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    48   268.000  1.529
   38    39   340.000  1.090
   38    40   250.000  1.527
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   275.000  1.479
   40    45   320.000  1.380
   44    46   440.000  1.371
   44    56   436.000  1.374
   46    47   367.000  1.080
   46    50   529.000  1.304
   50    54   414.000  1.391
   54    56   520.000  1.370
   54    72   447.000  1.419
   56    60   461.000  1.354
   60    62   585.000  1.311
   62    66   427.000  1.381
   62    68   481.000  1.340
   66    67   434.000  1.010
   66    72   418.000  1.388
   72    73   570.000  1.229
   68    69   434.000  1.010
   68    70   434.000  1.010
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   320.000  1.410
   55    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    61   230.000  1.697
   61    63   230.000  1.697
   63    64   525.000  1.480
   63    65   525.000  1.480
   63    71   230.000  1.697
   71    74   230.000  1.697
   74    75   525.000  1.480
   74    76   525.000  1.480
   74    77   230.000  1.697
   77    78   553.000  0.945
   42    43   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    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    75.00000  109.43000
   33    38    42    50.00000  109.50000
   33    48    45    50.00000  109.50000
   33    48    49    37.50000  110.70000
   33    48    51    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    45.00000  112.01100
   38    40    44    75.00000  107.44000
   38    40    45    90.00000  108.56700
   38    42    43    55.00000  108.50000
   40    38    39    45.00000  108.72000
   40    44    46    70.00000  128.80000
   40    44    56    70.00000  125.80000
   40    45    48    60.00000  109.50000
   44    40    41    55.00000  103.44000
   44    46    47    35.00000  123.05000
   44    46    50    70.00000  113.90000
   44    56    54    70.00000  106.20000
   44    56    60    70.00000  126.20000
   46    50    54    70.00000  103.80000
   50    46    47    35.00000  123.05000
   50    54    56    70.00000  110.40000
   50    54    72    70.00000  130.00000
   54    56    60    70.00000  127.70000
   54    72    66    70.00000  111.30000
   54    72    73    80.00000  128.80000
   56    44    46    70.00000  105.40000
   56    60    62    70.00000  112.20000
   60    62    66    70.00000  123.30000
   60    62    68    70.00000  119.30000
   62    66    67    35.00000  118.00000
   62    66    72    70.00000  125.20000
   62    68    69    35.00000  120.00000
   62    68    70    35.00000  120.00000
   66    72    73    80.00000  120.60000
   72    54    56    85.00000  119.20000
   72    66    67    35.00000  116.80000
   68    62    66    70.00000  116.00000
   70    68    69    35.00000  120.00000
   45    40    41    35.00000  109.50000
   45    40    44   105.00000  106.22000
   45    48    49    35.00000  109.50000
   45    48    51    50.00000  109.50000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    55    50.00000  109.50000
   51    48    49    37.50000  110.70000
   51    55    57   100.00000  120.50000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   55    57    58   100.00000  108.23000
   55    57    59   100.00000  108.23000
   55    57    61    45.00000  102.60000
   57    61    63    50.00000  132.62000
   59    57    58   140.00000  119.90000
   61    57    58   100.00000  108.23000
   61    57    59   100.00000  108.23000
   61    63    64   100.00000  108.23000
   61    63    65   100.00000  108.23000
   61    63    71    45.00000  102.60000
   63    71    74    50.00000  132.62000
   65    63    64   140.00000  119.90000
   71    63    64   100.00000  108.23000
   71    63    65   100.00000  108.23000
   71    74    75   100.00000  108.23000
   71    74    76   100.00000  108.23000
   71    74    77    45.00000  102.60000
   74    77    78    45.00000  108.50000
   76    74    75   140.00000  119.90000
   77    74    75   100.00000  108.23000
   77    74    76   100.00000  108.23000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  111.58700
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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    48    45   0.56750  1.0 1.0
   29    33    48    45  -0.07550 -1.0 2.0
   29    33    48    45   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44  -0.64600  1.0 1.0
   33    38    40    44   0.58400 -1.0 2.0
   33    38   -40    45   0.62750  1.0 1.0
   33    38   -40    45  -0.30950 -1.0 2.0
   33    38   -40    45   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    48    51    52   0.15000  1.0 3.0
   33    48    51    53   0.15000  1.0 3.0
   33    48    51    55   0.62750  1.0 1.0
   33    48    51    55  -0.30950 -1.0 2.0
   33    48    51    55   0.27300  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    42   0.23400  1.0 3.0
   34    33    48    45   0.23400  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    51   0.15000  1.0 3.0
   38    33   -48    45   0.62750  1.0 1.0
   38    33   -48    45  -0.30950 -1.0 2.0
   38    33   -48    45   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    51   0.56750  1.0 1.0
   38    33    48    51  -0.07550 -1.0 2.0
   38    33    48    51   0.20000  1.0 3.0
   38    40    44    46   1.10250  1.0 1.0
   38    40    44    46   0.01650 -1.0 2.0
   38    40    44    46   0.39100  1.0 3.0
   38    40    44    56   1.10250  1.0 1.0
   38    40    44    56   0.01650 -1.0 2.0
   38    40    44    56   0.39100  1.0 3.0
   38    40   -45    48   0.06250  1.0 1.0
   38    40   -45    48  -0.01100 -1.0 2.0
   38    40   -45    48   0.28050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    46    47   3.62500 -1.0 2.0
   40    44    46    50   3.62500 -1.0 2.0
   40    44    56    54   0.81400  1.0 1.0
   40    44    56    54   1.55550 -1.0 2.0
   40    44    56    60   3.62500 -1.0 2.0
   40    45   -48    33   0.06250  1.0 1.0
   40    45   -48    33  -0.01100 -1.0 2.0
   40    45   -48    33   0.28050  1.0 3.0
   40    45    48    49   0.37050  1.0 3.0
   40    45    48    51   0.06250  1.0 1.0
   40    45    48    51  -0.01100 -1.0 2.0
   40    45    48    51   0.28050  1.0 3.0
   41    40    44    46   0.00000  1.0 1.0
   41    40    44    56   0.00000  1.0 1.0
   41    40    45    48   0.37050  1.0 3.0
   44    40    45    48  -2.37750  1.0 1.0
   44    40    45    48  -0.08150 -1.0 2.0
   44    40    45    48   0.59000  1.0 3.0
   44    46   -50    54   3.62500 -1.0 2.0
   44    56    60    62   1.25000 -1.0 2.0
   46    44   -56    54   0.70250  1.0 1.0
   46    44   -56    54   1.56150 -1.0 2.0
   46    44    56    60   3.62500 -1.0 2.0
   46    50   -54    56   3.62500 -1.0 2.0
   46    50    54    72   3.62500 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   50    54   -56    44   3.62500 -1.0 2.0
   50    54    56    60   3.62500 -1.0 2.0
   50    54    72    66   5.37500 -1.0 2.0
   50    54    72    73   0.41000 -1.0 2.0
   54    56    60    62   3.62500 -1.0 2.0
   56    44    46    47   3.62500 -1.0 2.0
   56    44   -46    50   3.62500 -1.0 2.0
   56    54    72    66   1.50000 -1.0 2.0
   56    54    72    73   1.05000 -1.0 2.0
   56    60   -62    66   3.62500 -1.0 2.0
   56    60    62    68   3.62500 -1.0 2.0
   60    62    66    67   3.62500 -1.0 2.0
   60    62    66    72   3.62500 -1.0 2.0
   60    62    68    69   0.70000 -1.0 2.0
   60    62    68    70   0.70000 -1.0 2.0
   62    66   -72    54   1.52500 -1.0 2.0
   62    66    72    73   3.04450 -1.0 2.0
   66    62    68    69   1.01500 -1.0 2.0
   66    62    68    70   1.01500 -1.0 2.0
   67    66    72    54   1.52500 -1.0 2.0
   67    66    72    73   2.45000 -1.0 2.0
   72    54    56    44   3.62500 -1.0 2.0
   72    54   -56    60   3.62500 -1.0 2.0
   68    62    66    67   3.62500 -1.0 2.0
   68    62    66    72   3.62500 -1.0 2.0
   45    40    44    46   0.10350  1.0 1.0
   45    40    44    46  -0.15350 -1.0 2.0
   45    40    44    56   0.10350  1.0 1.0
   45    40    44    56  -0.15350 -1.0 2.0
   45    48    51    52   0.23400  1.0 3.0
   45    48    51    53   0.23400  1.0 3.0
   45    48    51    55   1.11900  1.0 1.0
   45    48    51    55  -1.16350 -1.0 2.0
   45    48    51    55  -0.34150  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   3.97050  1.0 1.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    51    55    57  -2.65550  1.0 1.0
   48    51    55    57  -0.22350 -1.0 2.0
   48    51    55    57   0.24150  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    55   0.23400  1.0 3.0
   51    55    57    58   0.00000  1.0 1.0
   51    55    57    59   0.00000  1.0 1.0
   51    55    57    61   0.05050  1.0 1.0
   51    55    57    61  -1.30700 -1.0 2.0
   51    55    57    61   0.91550  1.0 3.0
   52    51    55    57   0.03000  1.0 3.0
   53    51    55    57   0.03000  1.0 3.0
   55    57    61    63   0.15000  1.0 3.0
   57    61    63    64   0.50000  1.0 3.0
   57    61    63    65   0.50000  1.0 3.0
   57    61    63    71   0.15000  1.0 3.0
   58    57    61    63   0.50000  1.0 3.0
   59    57    61    63   0.50000  1.0 3.0
   61    63    71    74   0.15000  1.0 3.0
   63    71    74    75   0.50000  1.0 3.0
   63    71    74    76   0.50000  1.0 3.0
   63    71    74    77   0.15000  1.0 3.0
   64    63    71    74   0.50000  1.0 3.0
   65    63    71    74   0.50000  1.0 3.0
   71    74    77    78   0.00000  1.0 1.0
   75    74    77    78   0.00000  1.0 1.0
   76    74    77    78   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   2.76900  1.0 1.0
   42    38    40    44  -0.24350 -1.0 2.0
   42    38    40    44  -0.78250  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   46    56    44    40   4.00000 -1.0 2.0
   50    47    46    44   1.10000 -1.0 2.0
   56    72    54    50   4.00000 -1.0 2.0
   54    60    56    44   4.00000 -1.0 2.0
   66    68    62    60  10.50000 -1.0 2.0
   67    62    66    72   1.00000 -1.0 2.0
   54    66    72    73  10.50000 -1.0 2.0
   70    62    68    69   1.00000 -1.0 2.0
END
