* LIGAND DATABASE FILE (OPLS2005)
*
001      74    74    134    182     381
    1     0 S   NP   _N1_     1    28.54851    98.06295   -22.06108
    2     1 S   H    _HN1     2     1.02783   105.77582  -103.26312
    3     1 S   H    _H1_     3     1.02954    61.00579    -0.72659
    4     1 S   H    _H2_     4     1.02830    49.20568   156.46729
    5     1 S   CT   _CA1     5     1.50149   141.53669    85.96804
    6     5 S   HC   _HA1     6     1.09574   105.18471   108.91080
    7     5 S   CO3  _C1_     7     1.53751   112.35880   -11.26507
    8     7 S   O2Z  _O11     8     1.26370   114.99048   -43.86831
    9     7 S   O2Z  _O12     9     1.26227   114.92230   135.06588
   10     5 S   CT   _CB1    10     1.53045   107.38769  -133.19104
   11    10 S   HC   HB11    11     1.09836   109.26039   -50.13728
   12    10 S   HC   HB12    12     1.09815   110.45925    66.38688
   13    10 S   CT   _CG1    13     1.53050   112.73624  -171.16520
   14    13 S   HC   HG11    14     1.09583   110.60604   -66.35531
   15    13 S   HC   HG12    15     1.09662   109.83387    52.90802
   16    13 S   C    _CD1    16     1.51860   112.08050   173.25416
   17    16 S   O    _OE1    17     1.22751   123.05345     6.07280
   18    16 S   N    _N2_    18     1.38538   111.80298  -174.12704
   19    18 S   H    _HN2    19     1.01525   119.09369     3.65902
   20    18 S   CT1  _CA2    20     1.46037   122.87112   175.90050
   21    20 S   HC   _HA2    21     1.09611   108.77722    23.80276
   22    20 S   C    _C2_    22     1.52901   106.60576   -93.32382
   23    22 S   O    _O2_    23     1.23050   122.77285   -30.41340
   24    20 S   CT   _CB2    32     1.53153   112.06245   147.46430
   25    24 S   HC   HB21    33     1.09599   109.93810    50.11110
   26    24 S   HC   HB22    34     1.09373   110.49358   168.78181
   27    22 S   N    _N3_    24     1.38502   112.68454   152.26669
   28    27 S   H    _HN3    25     1.02122   119.56317    -0.77329
   29    24 S   S    _SG2    35     1.82614   110.90035   -70.67072
   30    27 S   CT   _CA3    26     1.45326   122.56878   177.92397
   31    30 S   HC   HA31    27     1.09485   107.26596  -162.81918
   32    30 S   HC   HA32    28     1.09589   107.88586   -46.27740
   33    29 S   CT   _C9_    36     1.84453    99.66879   163.22232
   34    33 S   HC   _H8_    37     1.09731   105.03351   -50.27967
   35    30 S   CO3  _C3_    29     1.53062   114.79794    76.39299
   36    35 S   O2Z  _O31    30     1.26305   116.33131    30.90950
   37    35 S   O2Z  _O32    31     1.26570   114.49603  -149.92339
   38    33 S   CT   _C4_    38     1.54801   109.82063  -165.96388
   39    38 S   HC   _H3_    39     1.09688   110.34411   -61.14686
   40    38 S   CT   _C5_    40     1.54584   111.58174   177.53494
   41    40 S   HC   _H4_    41     1.09397   108.45934   177.21667
   42    38 S   OH   _O52    73     1.43365   109.35922    56.33198
   43    42 S   HO   _H10    74     0.97462   108.73347   143.83174
   44    40 S   CT   _C6_    42     1.53602   111.90202    54.67609
   45    44 S   HC   _H5_    43     1.09621   110.24890  -172.65340
   46    40 S   OS   _O48    67     1.43207   108.70432   -64.89811
   47    44 S   CT   _C7_    44     1.54714   109.32732   -53.94262
   48    47 S   HC   _H6_    45     1.09782   107.52498   -60.52988
   49    44 S   OS   _O44    62     1.42835   109.73348    67.42818
   50    46 S   P2   _P5_    68     1.62972   119.14785  -111.46185
   51    50 S   O2Z  _O51    69     1.51221   109.42048    61.08819
   52    50 S   O2Z  _O49    70     1.51036   109.65479   -74.14503
   53    33 S   CT   _C8_    46     1.54807   113.15007    68.84967
   54    53 S   HC   _H7_    47     1.09544   110.81706   -59.86935
   55    47 S   OS   _O40    57     1.42694   110.21246  -177.57780
   56    49 S   P3   _P4_    63     1.65069   120.67823    90.73598
   57    56 S   O2Z  _O46    64     1.52603   103.78569   178.16368
   58    56 S   O2Z  _O47    65     1.52485   105.18478    58.34147
   59    56 S   O2Z  _O45    66     1.52504   105.11535   -62.54096
   60    50 S   OS   _O50    71     1.63086    98.15830   173.89003
   61    60 S   HO   _H9_    72     0.97899   115.66472    77.49686
   62    53 S   OS   _O33    48     1.42921   109.83451    60.80391
   63    55 S   P3   _P3_    58     1.65434   118.25627   116.95914
   64    63 S   O2Z  _O42    59     1.52549   104.26721   179.96574
   65    63 S   O2Z  _O43    60     1.52672   104.77543    59.84084
   66    63 S   O2Z  _O41    61     1.52648   104.72329   -60.21286
   67    62 S   P2   _P1_    49     1.63754   121.67018  -130.42058
   68    67 S   O2Z  _O35    50     1.51456   107.45524  -173.49308
   69    67 S   O2Z  _O34    51     1.51191   109.72944   -40.82747
   70    67 S   OS   _O36    52     1.62827    99.44533    73.57357
   71    70 S   P3   _P2_    53     1.64264   131.79529  -178.51826
   72    71 S   O2Z  _O38    54     1.52621   103.74744  -176.93101
   73    71 S   O2Z  _O39    55     1.52413   104.93730    63.73918
   74    71 S   O2Z  _O37    56     1.52449   105.02927   -57.26034
  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  14   7  16   7   4   1  15   7   7  12   6
   6   4   3   2   8   3   5   3   2   1   1   1   1   5   3   2
   1   1   7   3   2   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    53    54    62    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    53    54    62    67    55    46    42    43  
   38    39    40    47    53    54    62    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    53    54    62    49    46    50    42    43  
   40    41    44    53    46    42    43  
   41    44    45    47    48    53    55    49    56    46    50    51    52    60    42    43  
   44    45    47    49    46    50    42  
   43    44    46    53  
    0  
   45    47    48    53    54    62    55    63    49    56    57    58    59    46    50  
   47    48    53    55    49    56    46  
   50    51    52    60    61    47    49  
   48    53    54    62    67    55    63    64    65    66    49    56  
   53    54    62    55    63    49  
   56    57    58    59    53    55  
   51    52    60    61  
   52    60    61  
   60    61  
   54    62    67    68    69    70    55    63  
   62    67    55  
   63    64    65    66    62  
   57    58    59  
   58    59  
   59  
    0  
   61  
    0  
   67    68    69    70    71  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   51   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   57   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   58   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   62   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   64   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   66   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   67   3.7400   0.2000   1.331700   2.1070   1.8700   0.005000000   0.000000000
   68   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   69   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   70   2.8500   0.1400  -0.494300   1.5900   1.4000   0.020110767  -0.896042159
   71   3.7400   0.2000   1.872500   2.1070   1.8700   0.005000000   0.000000000
   72   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   73   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   74   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
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    53   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    49   320.000  1.410
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    55   320.000  1.410
   53    54   340.000  1.090
   53    62   320.000  1.410
   62    67   230.000  1.697
   67    68   525.000  1.480
   67    69   525.000  1.480
   67    70   230.000  1.697
   70    71   230.000  1.630
   71    72   525.000  1.516
   71    73   525.000  1.516
   71    74   525.000  1.516
   55    63   230.000  1.630
   63    64   525.000  1.516
   63    65   525.000  1.516
   63    66   525.000  1.516
   49    56   230.000  1.630
   56    57   525.000  1.516
   56    58   525.000  1.516
   56    59   525.000  1.516
   46    50   230.000  1.697
   50    51   525.000  1.480
   50    52   525.000  1.480
   50    60   230.000  1.697
   60    61   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    53    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    53    47    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    62    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    49    50.00000  109.50000
   40    46    50   100.00000  120.50000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    53    58.35000  112.70000
   44    47    55    50.00000  109.50000
   44    49    56    80.00000  112.68000
   47    44    45    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    62    50.00000  109.50000
   47    55    63    80.00000  112.68000
   53    33    34    37.50000  110.70000
   53    33    38    58.35000  112.70000
   53    47    48    37.50000  110.70000
   53    62    67   100.00000  120.50000
   62    53    54    35.00000  109.50000
   62    67    68   100.00000  108.23000
   62    67    69   100.00000  108.23000
   62    67    70    45.00000  102.60000
   67    70    71    45.00000  143.19000
   69    67    68   140.00000  119.90000
   70    67    68   100.00000  108.23000
   70    67    69   100.00000  108.23000
   70    71    72   100.00000  107.00000
   70    71    73   100.00000  107.00000
   70    71    74   100.00000  107.00000
   73    71    72   140.00000  114.00000
   74    71    72   140.00000  114.00000
   74    71    73   140.00000  114.00000
   55    47    48    35.00000  109.50000
   55    47    53    50.00000  109.50000
   55    63    64   100.00000  107.00000
   55    63    65   100.00000  107.00000
   55    63    66   100.00000  107.00000
   65    63    64   140.00000  114.00000
   66    63    64   140.00000  114.00000
   66    63    65   140.00000  114.00000
   49    44    45    35.00000  109.50000
   49    44    47    50.00000  109.50000
   49    56    57   100.00000  107.00000
   49    56    58   100.00000  107.00000
   49    56    59   100.00000  107.00000
   58    56    57   140.00000  114.00000
   59    56    57   140.00000  114.00000
   59    56    58   140.00000  114.00000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    50    51   100.00000  108.23000
   46    50    52   100.00000  108.23000
   46    50    60    45.00000  102.60000
   50    60    61    45.00000  108.50000
   52    50    51   140.00000  119.90000
   60    50    51   100.00000  108.23000
   60    50    52   100.00000  108.23000
   42    38    39    35.00000  109.50000
   42    38    40    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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    53    47   0.44750  1.0 1.0
   29    33    53    47  -0.17800 -1.0 2.0
   29    33    53    47   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    62   0.56750  1.0 1.0
   29    33    53    62  -0.07550 -1.0 2.0
   29    33    53    62   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   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    53    62    67  -2.65550  1.0 1.0
   33    53    62    67  -0.22350 -1.0 2.0
   33    53    62    67   0.24150  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    53    47   0.15000  1.0 3.0
   34    33    53    54   0.15000  1.0 3.0
   34    33    53    62   0.23400  1.0 3.0
   38    33    53    47   0.56750  1.0 1.0
   38    33    53    47  -0.07550 -1.0 2.0
   38    33    53    47   0.20000  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    62   0.62750  1.0 1.0
   38    33    53    62  -0.30950 -1.0 2.0
   38    33    53    62   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    47   0.56750  1.0 1.0
   38    40   -44    47  -0.07550 -1.0 2.0
   38    40   -44    47   0.20000  1.0 3.0
   38    40    44    49   0.62750  1.0 1.0
   38    40    44    49  -0.30950 -1.0 2.0
   38    40    44    49   0.27300  1.0 3.0
   38    40    46    50  -2.65550  1.0 1.0
   38    40    46    50  -0.22350 -1.0 2.0
   38    40    46    50   0.24150  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    46   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    47    48   0.15000  1.0 3.0
   40    44    47    53   0.56750  1.0 1.0
   40    44    47    53  -0.07550 -1.0 2.0
   40    44    47    53   0.20000  1.0 3.0
   40    44    47    55   0.62750  1.0 1.0
   40    44    47    55  -0.30950 -1.0 2.0
   40    44    47    55   0.27300  1.0 3.0
   40    44    49    56  -2.65550  1.0 1.0
   40    44    49    56  -0.22350 -1.0 2.0
   40    44    49    56   0.24150  1.0 3.0
   40    46    50    51   0.00000  1.0 1.0
   40    46    50    52   0.00000  1.0 1.0
   40    46    50    60   0.05050  1.0 1.0
   40    46    50    60  -1.30700 -1.0 2.0
   40    46    50    60   0.91550  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    50   0.03000  1.0 3.0
   44    40    46    50  -2.65550  1.0 1.0
   44    40    46    50  -0.22350 -1.0 2.0
   44    40    46    50   0.24150  1.0 3.0
   44    47   -53    33   0.56750  1.0 1.0
   44    47   -53    33  -0.07550 -1.0 2.0
   44    47   -53    33   0.20000  1.0 3.0
   44    47    53    54   0.15000  1.0 3.0
   44    47    53    62   0.62750  1.0 1.0
   44    47    53    62  -0.30950 -1.0 2.0
   44    47    53    62   0.27300  1.0 3.0
   44    47    55    63  -2.65550  1.0 1.0
   44    47    55    63  -0.22350 -1.0 2.0
   44    47    55    63   0.24150  1.0 3.0
   44    49    56    57   0.00000  1.0 1.0
   44    49    56    58   0.00000  1.0 1.0
   44    49    56    59   0.00000  1.0 1.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    53   0.15000  1.0 3.0
   45    44    47    55   0.23400  1.0 3.0
   45    44    49    56   0.03000  1.0 3.0
   47    44    49    56  -2.65550  1.0 1.0
   47    44    49    56  -0.22350 -1.0 2.0
   47    44    49    56   0.24150  1.0 3.0
   47    53    62    67  -2.65550  1.0 1.0
   47    53    62    67  -0.22350 -1.0 2.0
   47    53    62    67   0.24150  1.0 3.0
   47    55    63    64   0.00000  1.0 1.0
   47    55    63    65   0.00000  1.0 1.0
   47    55    63    66   0.00000  1.0 1.0
   48    47    53    33   0.15000  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    62   0.23400  1.0 3.0
   48    47    55    63   0.03000  1.0 3.0
   53    33    38    39   0.15000  1.0 3.0
   53    33   -38    40   0.56750  1.0 1.0
   53    33   -38    40  -0.07550 -1.0 2.0
   53    33   -38    40   0.20000  1.0 3.0
   53    33    38    42   0.86500  1.0 1.0
   53    33    38    42  -0.17500 -1.0 2.0
   53    33    38    42   0.20800  1.0 3.0
   53    47    55    63  -2.65550  1.0 1.0
   53    47    55    63  -0.22350 -1.0 2.0
   53    47    55    63   0.24150  1.0 3.0
   53    62    67    68   0.00000  1.0 1.0
   53    62    67    69   0.00000  1.0 1.0
   53    62    67    70   0.05050  1.0 1.0
   53    62    67    70  -1.30700 -1.0 2.0
   53    62    67    70   0.91550  1.0 3.0
   54    53    62    67   0.03000  1.0 3.0
   62    67    70    71   0.15000  1.0 3.0
   67    70    71    72   0.50000  1.0 3.0
   67    70    71    73   0.50000  1.0 3.0
   67    70    71    74   0.50000  1.0 3.0
   68    67    70    71   0.50000  1.0 3.0
   69    67    70    71   0.50000  1.0 3.0
   55    47    53    33   0.62750  1.0 1.0
   55    47    53    33  -0.30950 -1.0 2.0
   55    47    53    33   0.27300  1.0 3.0
   55    47    53    54   0.23400  1.0 3.0
   55    47    53    62   1.11900  1.0 1.0
   55    47    53    62  -1.16350 -1.0 2.0
   55    47    53    62  -0.34150  1.0 3.0
   49    44    47    48   0.23400  1.0 3.0
   49    44    47    53   0.62750  1.0 1.0
   49    44    47    53  -0.30950 -1.0 2.0
   49    44    47    53   0.27300  1.0 3.0
   49    44    47    55   1.11900  1.0 1.0
   49    44    47    55  -1.16350 -1.0 2.0
   49    44    47    55  -0.34150  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   0.62750  1.0 1.0
   46    40    44    47  -0.30950 -1.0 2.0
   46    40    44    47   0.27300  1.0 3.0
   46    40    44    49   1.11900  1.0 1.0
   46    40    44    49  -1.16350 -1.0 2.0
   46    40    44    49  -0.34150  1.0 3.0
   46    50    60    61   0.00000  1.0 1.0
   51    50    60    61   0.00000  1.0 1.0
   52    50    60    61   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.69350  1.0 1.0
   42    38    40    46  -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
END
