* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    131    202     375
    1     0 S   NP   _N1_     1    29.82108    95.88761   -15.80023
    2     1 S   H    _HN1     2     1.02797    61.15980   -54.57282
    3     1 S   H    _H1_     3     1.02944   108.44040    46.27725
    4     1 S   H    _H2_     4     1.02819    48.51189   143.15628
    5     1 S   CT   _CA1     5     1.50070   140.24923  -145.26855
    6     5 S   HC   _HA1     6     1.09597   105.07136    10.07123
    7     5 S   CO3  _C1_     7     1.53794   112.74058  -109.78853
    8     7 S   O2Z  _O11     8     1.26322   115.25838   -45.91781
    9     7 S   O2Z  _O12     9     1.26256   114.83913   133.21669
   10     5 S   CT   _CB1    10     1.53071   107.30931   127.46616
   11    10 S   HC   HB11    11     1.09798   108.94084   -52.67565
   12    10 S   HC   HB12    12     1.09829   110.58175    63.70517
   13    10 S   CT   _CG1    13     1.53026   112.68296  -174.07798
   14    13 S   HC   HG11    14     1.09598   110.01402   -66.96027
   15    13 S   HC   HG12    15     1.09637   110.30105    52.04997
   16    13 S   C    _CD1    16     1.51833   112.19769   171.67761
   17    16 S   O    _OE1    17     1.22754   123.00869   -19.20642
   18    16 S   N    _N2_    18     1.38597   111.93217   162.32570
   19    18 S   H    _HN2    19     1.01588   119.04771    -0.61802
   20    18 S   CT1  _CA2    20     1.46231   123.39723  -179.75853
   21    20 S   HC   _HA2    21     1.09751   109.13829   -20.12082
   22    20 S   C    _C2_    22     1.53430   108.04371  -135.57522
   23    22 S   O    _O2_    23     1.22997   122.37463  -145.04961
   24    20 S   CT   _CB2    32     1.53570   111.82988   102.16176
   25    24 S   HC   HB21    33     1.09264   110.01309    56.71649
   26    24 S   HC   HB22    34     1.09554   110.07406   174.00603
   27    22 S   N    _N3_    24     1.38551   113.24308    42.27641
   28    27 S   H    _HN3    25     1.01535   118.91398    -0.42658
   29    24 S   S    _SG2    35     1.82825   111.68934   -68.22915
   30    27 S   CT   _CA3    26     1.45445   123.38373   175.05383
   31    30 S   HC   HA31    27     1.09528   109.14923    25.91153
   32    30 S   HC   HA32    28     1.09492   107.13767   142.91861
   33    29 S   CT   _C14    36     1.86209   102.85414   126.54697
   34    30 S   CO3  _C3_    29     1.52939   113.20469   -97.49332
   35    34 S   O2Z  _O31    30     1.26396   115.45740   -42.82479
   36    34 S   O2Z  _O32    31     1.26362   114.94364   138.11996
   37    33 S   C4M  _C12    37     1.53744   106.79139  -178.03577
   38    33 S   CT   _C15    65     1.53848   109.88832   -61.86199
   39    38 S   HC   _H12    66     1.09384   112.67085    64.78346
   40    38 S   HC   _H13    67     1.09680   111.77128   -57.22371
   41    38 S   HC   _H14    68     1.09685   111.00307  -176.15799
   42    33 S   CT   _C16    69     1.54141   111.04497    61.09529
   43    42 S   HC   _H15    70     1.09470   111.73786   -64.89382
   44    42 S   HC   _H16    71     1.09555   110.99805   176.15865
   45    37 S   C4M  _C13    38     1.36485   136.59726  -172.88335
   46    45 S   OM   _O35    39     1.34037   132.25071    -0.52265
   47    37 S   C4T  _C10    46     1.51361   135.14287     9.29134
   48    47 S   HC   _H3_    47     1.09761   116.96608   -73.08425
   49    42 S   OH   _O36    72     1.42526   111.70279    55.96637
   50    49 S   HO   _H17    73     0.97199   106.99770   173.25576
   51    45 S   N4T  _N5_    40     1.31760    94.93737  -175.69334
   52    51 S   CM   _C9_    41     1.39420   126.45797   117.02824
   53    52 S   CM   _C8_    42     1.34288   110.06884  -105.78325
   54    52 S   CO3  _C17    62     1.53605   122.33100    74.12054
   55    54 S   O2Z  _O38    63     1.26486   115.69660  -126.77209
   56    54 S   O2Z  _O37    64     1.26549   115.02211    54.20207
   57    53 S   CT   _C11    43     1.51268   110.46950     0.17246
   58    57 S   HC   _H10    44     1.09509   111.11335   115.18752
   59    57 S   HC   _H11    45     1.09496   110.67781  -123.34233
   60    53 S   SZ   _S1_    48     1.75978   124.11892   180.00000
   61    60 S   OZ   _O34    49     1.50108   106.46336   161.08210
   62    60 S   CM   _C7_    50     1.78863    99.24116   -89.94277
   63    62 S   HC   _H9_    51     1.08640   121.70150     7.23240
   64    62 S   CM   _C6_    52     1.33878   118.03392  -173.63290
   65    64 S   HC   _H8_    53     1.08564   122.13180    -0.23155
   66    64 S   N    _N4_    54     1.37256   121.73989   179.40620
   67    66 S   H    _H7_    55     1.01998   117.28705    -1.28542
   68    66 S   C    _C5_    56     1.38549   123.83649  -179.74207
   69    68 S   O    _O33    57     1.22842   125.93569     1.59348
   70    68 S   CT   _C4_    58     1.50602   112.34412   179.73980
   71    70 S   HC   _H4_    59     1.09379   110.79167    39.54963
   72    70 S   HC   _H5_    60     1.09329   109.28218   -81.03866
   73    70 S   HC   _H6_    61     1.09351   109.52699   159.14893
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  16   2   1   1  18   9   3   2   1   6   3   2   8   3   9   6
   1   1   9  10  11   4   1   1   5   2   1   6   3   6   3   6
   3   7   3   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    45    47    38    39    40    41    42    43    44    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    45    46    51    57    47    48    38    39    40    41    42    43    44    49    50  
   35    36  
   36  
    0  
   45    46    51    52    53    57    58    59    47    48    38    39    40    41    42    43    44    49  
   39    40    41    42    43    44    49    45    47  
   40    41    42  
   41    42  
   42  
   43    44    49    50    45    47  
   44    49    50  
   49    50  
   46    51    52    53    57    47    48    54  
   51    52    47  
   48    60    54    51    52    53    57    58    59  
   51    52    53    57    58    59  
   50  
    0  
   52    53    57    58    59    60    54    55    56  
   53    57    58    59    60    61    62    54    55    56  
   57    58    59    60    61    62    63    64    54    55    56  
   55    56    57    60  
   56  
    0  
   58    59    60    61    62  
   59    60  
   60  
   61    62    63    64    65    66  
   62    63    64  
   63    64    65    66    67    68  
   64    65    66  
   65    66    67    68    69    70  
   66    67    68  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.035100   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.207500   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.685000   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660   0.116300   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.3000   0.1700  -0.845000   1.9050   1.6860   0.051222218  -2.220205820
   52   3.5500   0.0760  -0.187800   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   54   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5600   0.3950   0.445000   2.0080   1.7800   0.025682759  -1.666211680
   61   2.7000   0.2800  -0.460000   1.5350   1.3500   0.001000000  -0.126889456
   62   3.5500   0.0760  -0.107500   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.063700   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   67   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   68   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    42   268.000  1.529
   37    45   585.000  1.342
   37    47   275.000  1.517
   45    46   440.000  1.360
   45    51   380.000  1.368
   51    52   405.000  1.388
   51    47   382.000  1.448
   52    53   549.000  1.340
   52    54   230.000  1.545
   53    57   317.000  1.510
   53    60   205.000  1.810
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    47   260.000  1.519
   47    48   340.000  1.090
   60    61   700.000  1.530
   60    62   205.000  1.810
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   340.000  1.080
   64    66   400.000  1.384
   66    67   434.000  1.010
   66    68   490.000  1.335
   68    69   570.000  1.229
   68    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   54    55   656.000  1.250
   54    56   656.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   320.000  1.410
   49    50   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    45    70.00000  124.00000
   33    37    47    65.00000  117.92700
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    49    50.00000  109.50000
   37    45    46    80.00000  120.01400
   37    45    51   105.00000   96.00000
   37    47    51   105.00000   89.00000
   37    47    57    70.00000  112.02700
   37    47    48    40.00000  115.44000
   45    51    52    55.00000  133.00000
   45    51    47   110.00000   88.06000
   51    45    46    85.00000  127.00000
   51    52    53    65.00000  124.66000
   51    52    54    70.00000  120.00000
   51    47    57    56.20000  109.47000
   51    47    48    35.00000  109.50000
   52    53    57    70.00000  124.00000
   52    53    60    65.00000  118.19300
   52    54    55    85.00000  113.83300
   52    54    56    85.00000  113.83300
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    47    70.00000  112.02700
   53    60    61   100.00000  107.42000
   53    60    62    80.00000   95.00000
   57    47    48    45.00000  112.72800
   59    57    58    33.00000  107.80000
   47    37    45    85.00000   95.12000
   47    51    52    70.00000  116.26000
   47    57    58    45.00000  111.22300
   47    57    59    45.00000  111.22300
   60    53    57    70.00000  116.66000
   60    62    63    40.00000  114.00000
   60    62    64    65.00000  118.19300
   62    60    61   100.00000  107.42000
   62    64    65    35.00000  120.00000
   62    64    66    75.00000  120.83300
   64    62    63    35.00000  120.00000
   64    66    67    45.00000  117.55000
   64    66    68    70.00000  120.89900
   66    64    65    45.00000  111.09300
   66    68    69    80.00000  122.90000
   66    68    70    70.00000  116.60000
   68    66    67    35.00000  119.80000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    35.00000  109.50000
   70    68    69    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   54    52    53    55.00000  124.75400
   56    54    55    80.00000  126.00000
   38    33    37    70.00000  112.02700
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    37    70.00000  112.02700
   42    33    38    58.35000  112.70000
   42    49    50    55.00000  108.50000
   44    42    43    33.00000  107.80000
   49    42    43    35.00000  109.50000
   49    42    44    35.00000  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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    37    47   0.30250  1.0 1.0
   29    33    37    47  -0.14950 -1.0 2.0
   29    33    37    47   0.36900  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    49   0.56750  1.0 1.0
   29    33    42    49  -0.07550 -1.0 2.0
   29    33    42    49   0.20000  1.0 3.0
   33    37    45    46   6.00000 -1.0 2.0
   33    37    45    51   6.00000 -1.0 2.0
   33    37   -47    51   0.52100  1.0 1.0
   33    37   -47    51  -0.20350 -1.0 2.0
   33    37   -47    51   0.29750  1.0 3.0
   33    37    47    57   0.46850  1.0 1.0
   33    37    47    57   0.08550 -1.0 2.0
   33    37    47    57   0.09800  1.0 3.0
   33    37    47    48   0.34800  1.0 3.0
   33    42    49    50  -0.11600  1.0 1.0
   33    42    49    50  -0.09450 -1.0 2.0
   33    42    49    50   0.21250  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    49   1.05650  1.0 1.0
   37    33    42    49   0.15600 -1.0 2.0
   37    33    42    49   0.53150  1.0 3.0
   37    45    51    52   2.00000 -1.0 2.0
   37    45   -51    47   0.00000  1.0 1.0
   45    37   -47    51   0.00000  1.0 1.0
   45    37    47    57   0.09850  1.0 1.0
   45    37    47    57   0.15250 -1.0 2.0
   45    37    47    57  -0.50650  1.0 3.0
   45    37    47    48   0.00000  1.0 1.0
   45    51    52    53   2.00000 -1.0 2.0
   45    51    52    54   2.00000 -1.0 2.0
   45    51   -47    37  -1.61200 -1.0 2.0
   45    51   -47    57   0.23200  1.0 1.0
   45    51   -47    57   0.02100 -1.0 2.0
   45    51   -47    57   0.24950  1.0 3.0
   45    51   -47    48   0.23200  1.0 1.0
   45    51   -47    48   0.02100 -1.0 2.0
   45    51   -47    48   0.24950  1.0 3.0
   46    45    51    52   2.00000 -1.0 2.0
   46    45    51    47   2.00000 -1.0 2.0
   51    52   -53    57   7.00000 -1.0 2.0
   51    52    53    60   7.00000 -1.0 2.0
   51    52    54    55   1.68800 -1.0 2.0
   51    52    54    56   1.68800 -1.0 2.0
   52    51   -47    37   0.23200  1.0 1.0
   52    51   -47    37   0.02100 -1.0 2.0
   52    51   -47    37   0.24950  1.0 3.0
   52    51   -47    57   0.23200  1.0 1.0
   52    51   -47    57   0.02100 -1.0 2.0
   52    51   -47    57   0.24950  1.0 3.0
   52    51    47    48   0.23200  1.0 1.0
   52    51    47    48   0.02100 -1.0 2.0
   52    51    47    48   0.24950  1.0 3.0
   52    53    57    58   0.00000  1.0 1.0
   52    53    57    59   0.00000  1.0 1.0
   52    53   -57    47   0.09850  1.0 1.0
   52    53   -57    47   0.15250 -1.0 2.0
   52    53   -57    47  -0.50650  1.0 3.0
   52    53    60    61   1.00000 -1.0 2.0
   52    53    60    62   1.00000 -1.0 2.0
   53    52    54    55  -0.04000 -1.0 2.0
   53    52    54    55  -0.29050  1.0 3.0
   53    52    54    56  -0.04000 -1.0 2.0
   53    52    54    56  -0.29050  1.0 3.0
   53    57    47    37   0.31000  1.0 1.0
   53    57    47    37   0.14700 -1.0 2.0
   53    57    47    37   0.07550  1.0 3.0
   53    57   -47    51   0.59950  1.0 1.0
   53    57   -47    51  -0.21400 -1.0 2.0
   53    57   -47    51   0.56200  1.0 3.0
   53    57    47    48   0.15000  1.0 3.0
   53    60    62    63   1.00000 -1.0 2.0
   53    60    62    64   1.00000 -1.0 2.0
   57    53    60    61   1.00000 -1.0 2.0
   57    53    60    62   1.00000 -1.0 2.0
   58    57    47    37   0.15000  1.0 3.0
   58    57    47    51   0.15000  1.0 3.0
   58    57    47    48   0.15000  1.0 3.0
   59    57    47    37   0.15000  1.0 3.0
   59    57    47    51   0.15000  1.0 3.0
   59    57    47    48   0.15000  1.0 3.0
   47    37   -45    46   6.00000 -1.0 2.0
   47    37   -45    51   6.00000 -1.0 2.0
   47    51   -52    53   2.00000 -1.0 2.0
   47    51    52    54   2.00000 -1.0 2.0
   60    53    57    58   0.00000  1.0 1.0
   60    53    57    59   0.00000  1.0 1.0
   60    53    57    47   0.09700  1.0 1.0
   60    53    57    47   0.15600 -1.0 2.0
   60    53    57    47  -0.50800  1.0 3.0
   60    62    64    65   7.00000 -1.0 2.0
   60    62    64    66   7.00000 -1.0 2.0
   61    60    62    63   1.00000 -1.0 2.0
   61    60    62    64   1.00000 -1.0 2.0
   62    64    66    67   0.78350 -1.0 2.0
   62    64    66    68  -0.18900  1.0 1.0
   62    64    66    68   1.70900 -1.0 2.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    66   7.00000 -1.0 2.0
   64    66    68    69   2.67200 -1.0 2.0
   64    66    68    70   0.67100  1.0 1.0
   64    66    68    70   1.42150 -1.0 2.0
   64    66    68    70   0.18700  1.0 3.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   1.44600  1.0 1.0
   66    68    70    71   0.00000  1.0 1.0
   66    68    70    72   0.00000  1.0 1.0
   66    68    70    73   0.00000  1.0 1.0
   67    66    68    69   2.45000 -1.0 2.0
   67    66    68    70   2.45000 -1.0 2.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.00000  1.0 1.0
   69    68    70    73   0.00000  1.0 1.0
   54    52    53    57   7.00000 -1.0 2.0
   54    52    53    60   7.00000 -1.0 2.0
   38    33    37    45   0.09850  1.0 1.0
   38    33    37    45   0.15250 -1.0 2.0
   38    33    37    45  -0.50650  1.0 3.0
   38    33    37    47   0.46850  1.0 1.0
   38    33    37    47   0.08550 -1.0 2.0
   38    33    37    47   0.09800  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44   0.15000  1.0 3.0
   38    33    42    49   0.86500  1.0 1.0
   38    33    42    49  -0.17500 -1.0 2.0
   38    33    42    49   0.20800  1.0 3.0
   42    33    37    45   0.09850  1.0 1.0
   42    33    37    45   0.15250 -1.0 2.0
   42    33    37    45  -0.50650  1.0 3.0
   42    33    37    47   0.46850  1.0 1.0
   42    33    37    47   0.08550 -1.0 2.0
   42    33    37    47   0.09800  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   43    42    49    50   0.19450  1.0 3.0
   44    42    49    50   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    47    37    45   1.10000 -1.0 2.0
   51    46    45    37   1.10000 -1.0 2.0
   47    45    51    52   1.00000 -1.0 2.0
   51    54    52    53   1.10000 -1.0 2.0
   57    60    53    52   1.10000 -1.0 2.0
   60    63    62    64  15.00000 -1.0 2.0
   66    65    64    62  15.00000 -1.0 2.0
   67    68    66    64   1.00000 -1.0 2.0
   66    70    68    69  10.50000 -1.0 2.0
   55    52    54    56  10.50000 -1.0 2.0
END
