* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    124    190     358
    1     0 S   NP   _N1_     1    28.59317    96.89672   -21.67291
    2     1 S   H    _HN1     2     1.02778    90.45387   -73.76529
    3     1 S   H    _H1_     3     1.02962    74.23274    35.17209
    4     1 S   H    _H2_     4     1.02835    44.84259   170.88639
    5     1 S   CT   _CA1     5     1.50120   152.65370   139.14925
    6     5 S   HC   _HA1     6     1.09577   105.22556    82.50949
    7     5 S   CO3  _C1_     7     1.53780   112.40989   -37.66910
    8     7 S   O2Z  _O11     8     1.26354   115.00559   -43.55272
    9     7 S   O2Z  _O12     9     1.26243   114.91943   135.63537
   10     5 S   CT   _CB1    10     1.53097   107.41901  -159.61355
   11    10 S   HC   HB11    11     1.09824   109.28515   -51.14357
   12    10 S   HC   HB12    12     1.09819   110.42765    65.38870
   13    10 S   CT   _CG1    13     1.53005   112.69511  -172.27602
   14    13 S   HC   HG11    14     1.09598   110.41633   -64.33831
   15    13 S   HC   HG12    15     1.09654   109.99406    54.87367
   16    13 S   C    _CD1    16     1.51822   112.34785   175.17968
   17    16 S   O    _OE1    17     1.22720   123.27389    -2.68146
   18    16 S   N    _N2_    18     1.38637   111.62381   177.62644
   19    18 S   H    _HN2    19     1.01586   119.00987     1.01433
   20    18 S   CT1  _CA2    20     1.46163   123.38691   179.62727
   21    20 S   HC   _HA2    21     1.09740   109.38451    -8.03507
   22    20 S   C    _C2_    22     1.53468   108.47082  -123.58717
   23    22 S   O    _O2_    23     1.23027   122.19767  -146.15200
   24    20 S   CT   _CB2    32     1.53376   111.56658   114.01136
   25    24 S   HC   HB21    33     1.09590   110.10460    54.97410
   26    24 S   HC   HB22    34     1.09469   109.93954   174.01856
   27    22 S   N    _N3_    24     1.38489   113.44937    41.27846
   28    27 S   H    _HN3    25     1.01513   118.95158    -0.68586
   29    24 S   S    _SG2    35     1.82839   111.77195   -66.11642
   30    27 S   CT   _CA3    26     1.45451   123.46111   174.96530
   31    30 S   HC   HA31    27     1.09519   109.28987    23.83053
   32    30 S   HC   HA32    28     1.09496   107.12394   140.84909
   33    29 S   CT   _C17    36     1.83400    99.60526   172.83401
   34    33 S   HC   _H3_    37     1.09499   107.01020   -54.47008
   35    30 S   CO3  _C3_    29     1.52918   113.01712   -99.66866
   36    35 S   O2Z  _O31    30     1.26410   115.35902   -45.63345
   37    35 S   O2Z  _O32    31     1.26348   115.01357   135.26518
   38    33 S   CO4  _C15    38     1.50960   109.94289    63.66677
   39    38 S   O    _O18    39     1.22649   120.99403  -112.68189
   40    38 S   CA   _C11    40     1.49313   117.23731    70.14952
   41    40 S   CA   _C8_    41     1.43015   122.04296  -151.90957
   42    40 S   CA   _C10    53     1.40541   117.02645    27.98753
   43    41 S   CA   _C5_    42     1.41971   124.62196     4.56059
   44    43 S   HA   _H24    43     1.08663   121.27133     1.19387
   45    42 S   CO4  _C14    54     1.48899   121.98814    -2.39490
   46    45 S   O    _O17    55     1.22815   120.02038  -175.79597
   47    43 S   CA   _C7_    44     1.39693   122.56277   179.45751
   48    47 S   HA   _H26    45     1.08629   119.30233  -179.22267
   49    33 S   CT   _C16    56     1.52710   113.88061  -175.44603
   50    49 S   HC   _H27    57     1.09984   109.95241   177.32614
   51    47 S   CA   _C12    46     1.38432   119.55826     0.13848
   52    49 S   OS   _O21    58     1.42434   112.54722    55.54062
   53    51 S   CA   _C13    47     1.39485   119.90943     0.25488
   54    52 S   CT   _C19    59     1.42078   113.54808    80.78344
   55    54 S   HC   _H32    60     1.09342   108.17640   178.16752
   56    54 S   HC   _H33    61     1.09417   110.58832    59.57042
   57    54 S   HC   _H34    62     1.09315   111.04704   -63.12192
   58    51 S   OH   _O19    68     1.36678   120.36636  -178.83215
   59    58 S   HO   _H35    69     0.97229   108.84176     0.02798
   60    41 S   CA   _C9_    48     1.42197   118.33346  -177.15387
   61    53 S   OS   _O20    63     1.37734   119.06612  -177.96087
   62    60 S   CA   _C4_    49     1.40839   119.12991    -1.80732
   63    62 S   HA   _H23    50     1.08886   120.59647  -179.31586
   64    61 S   CT   _C18    64     1.42902   110.33667   -84.43391
   65    64 S   HC   _H29    65     1.09409   107.73573  -173.84199
   66    64 S   HC   _H30    66     1.09477   111.31323    67.97548
   67    64 S   HC   _H31    67     1.09575   111.44772   -55.55034
   68    62 S   CA   _C6_    51     1.39191   121.74446    -0.21850
   69    68 S   HA   _H25    52     1.08719   118.61148  -179.09734
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  11   4  13  13  11   8   4   8   4   7   3
   7   2   7   4  11   3   2   1   1   3   1   6   5   3   2   3
   2   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    49    50    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    46    49    50    52    54  
   38    39    40    45    49    50    52  
   36    37  
   37  
    0  
   39    40    41    43    60    68    42    45    49    50    52  
   40    41    42    49  
   41    43    44    47    53    60    62    68    69    42    45    46    49  
   43    44    47    48    51    53    60    62    63    68    42    45    61  
   45    46    49    50    52    43    60    62    63    68    69  
   44    47    48    51    53    60    62    58  
   47    48    51    60  
   46    49    50    52    54    62    68    69  
   49    50    52    68  
   48    51    53    60    61    58    59  
   51    53    58  
   50    52    54    55    56    57    68  
   52    54  
   53    60    62    61    64    58    59  
   54    55    56    57  
   60    62    63    68    61    64    65    66    67    58    59  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61  
    0  
   62    63    68    69    61    64  
   64    65    66    67    62  
   63    68    69  
   68    69  
   65    66    67  
   66    67  
   67  
    0  
   69  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    49   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    42   469.000  1.400
   41    43   469.000  1.400
   41    60   469.000  1.400
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    53   469.000  1.400
   51    58   450.000  1.364
   53    60   469.000  1.400
   53    61   450.000  1.364
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    68   469.000  1.400
   68    69   367.000  1.080
   68    42   469.000  1.400
   42    45   310.000  1.470
   45    46   570.000  1.229
   45    49   317.000  1.522
   49    50   340.000  1.090
   49    52   320.000  1.410
   52    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   61    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   58    59   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  110.18000
   29    33    49    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    49    45    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    52    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    42    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    43    63.00000  120.00000
   40    41    60    63.00000  120.00000
   40    42    68    63.00000  120.00000
   40    42    45    60.00000  119.52600
   41    43    44    35.00000  120.00000
   41    43    47    63.00000  120.00000
   41    60    53    63.00000  120.00000
   41    60    62    63.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    51    63.00000  120.00000
   47    43    44    35.00000  120.00000
   47    51    53    63.00000  120.00000
   47    51    58    70.00000  120.00000
   51    47    48    35.00000  120.00000
   51    53    60    63.00000  120.00000
   51    53    61    70.00000  120.00000
   51    58    59    35.00000  113.00000
   53    60    62    63.00000  120.00000
   53    61    64    75.00000  111.00000
   60    41    43    63.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    68    63.00000  120.00000
   62    68    69    35.00000  120.00000
   62    68    42    63.00000  120.00000
   68    62    63    35.00000  120.00000
   68    42    45    60.00000  119.52600
   42    40    41    63.00000  120.00000
   42    68    69    35.00000  120.00000
   42    45    46    75.00000  123.78400
   42    45    49    65.00000  115.47100
   45    49    50    35.00000  109.50000
   45    49    52    90.00000  108.74100
   49    33    34    37.50000  110.70000
   49    33    38    63.00000  111.10000
   49    45    46    80.00000  120.40000
   49    52    54    60.00000  109.50000
   52    49    50    35.00000  109.50000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   61    53    60    70.00000  120.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   58    51    53    70.00000  120.00000
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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    49    45   0.56750  1.0 1.0
   29    33    49    45  -0.07550 -1.0 2.0
   29    33    49    45   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    52   0.56750  1.0 1.0
   29    33    49    52  -0.07550 -1.0 2.0
   29    33    49    52   0.20000  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    42   2.26350  1.0 1.0
   33    38    40    42   0.76750 -1.0 2.0
   33    38    40    42   0.22500  1.0 3.0
   33    49    52    54   0.06250  1.0 1.0
   33    49    52    54  -0.01100 -1.0 2.0
   33    49    52    54   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    49    45  -0.11250  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    52   0.23400  1.0 3.0
   38    33    49    45   0.11950  1.0 1.0
   38    33    49    45   0.20300 -1.0 2.0
   38    33    49    45  -0.70800  1.0 3.0
   38    33    49    50  -0.11250  1.0 3.0
   38    33    49    52  -0.09450  1.0 1.0
   38    33    49    52  -1.12950 -1.0 2.0
   38    33    49    52   0.54000  1.0 3.0
   38    40    41    43   3.62500 -1.0 2.0
   38    40    41    60   3.62500 -1.0 2.0
   38    40    42    68   3.62500 -1.0 2.0
   38    40   -42    45   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    42   1.05000 -1.0 2.0
   40    41    43    44   3.62500 -1.0 2.0
   40    41    43    47   3.62500 -1.0 2.0
   40    41    60    53   3.62500 -1.0 2.0
   40    41    60    62   3.62500 -1.0 2.0
   40    42    45    46   1.05000 -1.0 2.0
   40    42    45    49   2.26350  1.0 1.0
   40    42    45    49   0.76750 -1.0 2.0
   40    42    45    49   0.22500  1.0 3.0
   41    40    42    68   3.62500 -1.0 2.0
   41    40    42    45   3.62500 -1.0 2.0
   41    43    47    48   3.62500 -1.0 2.0
   41    43    47    51   3.62500 -1.0 2.0
   41    60    62    63   3.62500 -1.0 2.0
   41    60   -62    68   3.62500 -1.0 2.0
   43    41    60    53   3.62500 -1.0 2.0
   43    41    60    62   3.62500 -1.0 2.0
   43    47   -51    53   3.62500 -1.0 2.0
   43    47    51    58   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   44    43    47    51   3.62500 -1.0 2.0
   47    51    53    60   3.62500 -1.0 2.0
   47    51    53    61   3.62500 -1.0 2.0
   47    51    58    59   0.84100 -1.0 2.0
   48    47    51    53   3.62500 -1.0 2.0
   48    47    51    58   3.62500 -1.0 2.0
   51    53   -60    41   3.62500 -1.0 2.0
   51    53    60    62   3.62500 -1.0 2.0
   51    53    61    64   1.63200 -1.0 2.0
   53    51    58    59   0.84100 -1.0 2.0
   53    60    62    63   3.62500 -1.0 2.0
   53    60    62    68   3.62500 -1.0 2.0
   53    61    64    65   0.08050  1.0 3.0
   53    61    64    66   0.08050  1.0 3.0
   53    61    64    67   0.08050  1.0 3.0
   60    41    43    44   3.62500 -1.0 2.0
   60    41   -43    47   3.62500 -1.0 2.0
   60    53    61    64   1.63200 -1.0 2.0
   60    62    68    69   3.62500 -1.0 2.0
   60    62    68    42   3.62500 -1.0 2.0
   62    68   -42    40   3.62500 -1.0 2.0
   62    68    42    45   3.62500 -1.0 2.0
   63    62    68    69   3.62500 -1.0 2.0
   63    62    68    42   3.62500 -1.0 2.0
   68    42    45    46   1.05000 -1.0 2.0
   68    42    45    49   2.26350  1.0 1.0
   68    42    45    49   0.76750 -1.0 2.0
   68    42    45    49   0.22500  1.0 3.0
   69    68    42    40   3.62500 -1.0 2.0
   69    68    42    45   3.62500 -1.0 2.0
   42    40    41    43   3.62500 -1.0 2.0
   42    40   -41    60   3.62500 -1.0 2.0
   42    45   -49    33   0.05850 -1.0 2.0
   42    45   -49    33   0.17250  1.0 3.0
   42    45    49    50   0.00000  1.0 1.0
   42    45    49    52   0.65300  1.0 1.0
   42    45    49    52  -0.03850 -1.0 2.0
   42    45    49    52   0.33900  1.0 3.0
   45    49    52    54  -1.11000  1.0 1.0
   45    49    52    54   0.50250 -1.0 2.0
   45    49    52    54   0.47450  1.0 3.0
   46    45    49    33   0.30150 -1.0 2.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    52   0.30150 -1.0 2.0
   49    33    38    39   0.30150 -1.0 2.0
   49    33   -38    40   0.05850 -1.0 2.0
   49    33   -38    40   0.17250  1.0 3.0
   49    52    54    55   0.37050  1.0 3.0
   49    52    54    56   0.37050  1.0 3.0
   49    52    54    57   0.37050  1.0 3.0
   50    49    52    54   0.37050  1.0 3.0
   61    53    60    41   3.62500 -1.0 2.0
   61    53    60    62   3.62500 -1.0 2.0
   58    51    53    60   3.62500 -1.0 2.0
   58    51    53    61   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   41    42    40    38   4.00000 -1.0 2.0
   43    60    41    40   4.00000 -1.0 2.0
   47    44    43    41   1.10000 -1.0 2.0
   51    48    47    43   1.10000 -1.0 2.0
   53    58    51    47   4.00000 -1.0 2.0
   60    61    53    51   4.00000 -1.0 2.0
   53    62    60    41   4.00000 -1.0 2.0
   68    63    62    60   1.10000 -1.0 2.0
   42    69    68    62   1.10000 -1.0 2.0
   68    45    42    40   4.00000 -1.0 2.0
   42    49    45    46  10.50000 -1.0 2.0
END
