* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    131    194     373
    1     0 S   NP   _N1_     1    31.94450   101.16889   -23.50688
    2     1 S   H    _HN1     2     1.02724    81.83659   -97.95987
    3     1 S   H    _H1_     3     1.02833    73.53579   150.68163
    4     1 S   H    _H2_     4     1.03436   169.47096    52.68028
    5     1 S   CT   _CA1     5     1.50509    58.78455    23.66081
    6     5 S   HC   _HA1     6     1.09529   104.21245   113.45343
    7     5 S   CO3  _C1_     7     1.54345   112.51037    -2.31266
    8     7 S   O2Z  _O11     8     1.26157   116.43208  -145.40113
    9     7 S   O2Z  _O12     9     1.26599   114.39716    34.68366
   10     5 S   CT   _CB1    10     1.53269   106.87441  -129.64668
   11    10 S   HC   HB11    11     1.09552   109.87956   -31.69000
   12    10 S   HC   HB12    12     1.09797   110.15859    83.76012
   13    10 S   CT   _CG1    13     1.53325   112.92382  -154.33302
   14    13 S   HC   HG11    14     1.09538   110.80635   -96.69738
   15    13 S   HC   HG12    15     1.09643   111.73831    22.70446
   16    13 S   C    _CD1    16     1.51604   110.22531   142.93040
   17    16 S   O    _OE1    17     1.22785   122.12084   101.69969
   18    16 S   N    _N2_    18     1.38461   112.35534   -76.82401
   19    18 S   H    _HN2    19     1.01932   118.50297     1.05610
   20    18 S   CT1  _CA2    20     1.45854   123.43130   174.20252
   21    20 S   HC   _HA2    21     1.09751   108.59122    24.14990
   22    20 S   C    _C2_    22     1.53283   110.29203   -91.80882
   23    22 S   O    _O2_    23     1.23247   120.52348   155.35187
   24    20 S   CT   _CB2    32     1.53246   111.24107   146.84234
   25    24 S   HC   HB21    33     1.09501   110.38671    47.95171
   26    24 S   HC   HB22    34     1.09527   110.60475   167.32339
   27    22 S   N    _N3_    24     1.38186   115.32558   -31.82053
   28    27 S   H    _HN3    25     1.01751   119.71831     0.84534
   29    24 S   S    _SG2    35     1.82761   110.53933   -73.42474
   30    27 S   CT   _CA3    26     1.45391   122.86893  -176.16896
   31    30 S   HC   HA31    27     1.09568   108.48082   -40.14855
   32    30 S   HC   HA32    28     1.09567   106.85937    76.05817
   33    29 S   CT   _C11    36     1.82146    99.49442   169.27991
   34    33 S   HC   _H5_    37     1.09815   106.95871    50.62169
   35    30 S   CO3  _C3_    29     1.52986   115.09405  -162.57548
   36    35 S   O2Z  _O31    30     1.26299   116.61837     6.90674
   37    35 S   O2Z  _O32    31     1.26525   114.22988  -173.70496
   38    33 S   CT   _C10    38     1.52412   113.90459   168.41779
   39    38 S   HC   _H4_    39     1.09544   112.43066   -74.71355
   40    38 S   CO   _C9_    40     1.52790   102.27690   162.72635
   41    40 S   HC   _H3_    41     1.09605   112.63074  -141.88426
   42    38 S   OH   _O41    71     1.42640   111.80706    46.61937
   43    42 S   HO   _H11    72     0.97286   107.57047  -179.60983
   44    40 S   N*   _N6_    42     1.45424   113.10604    96.62775
   45    40 S   OS   _O33    56     1.43915   107.61043   -23.93271
   46    44 S   CRAB _C8_    43     1.36886   127.70226   -95.77598
   47    46 S   HA   _H8_    44     1.08191   122.84583    -0.52860
   48    33 S   CT   _C12    57     1.53135   117.80885   -71.02795
   49    48 S   HC   _H6_    58     1.09505   110.27390    86.39086
   50    46 S   NNA  _N7_    45     1.31664   112.04930   179.41751
   51    48 S   CT   _C13    59     1.53146   117.08023   -39.64230
   52    51 S   HC   _H9_    60     1.09228   111.79412    53.78575
   53    51 S   HC   _H10    61     1.09350   111.51326   -67.84260
   54    50 S   C56B _C6_    46     1.37528   105.06755    -0.10087
   55    51 S   OS   _O34    62     1.42919   109.22602   174.96767
   56    44 S   C56A _C7_    47     1.36987   125.10368    83.34017
   57    55 S   P2   _P1_    63     1.63877   119.34667  -107.58430
   58    57 S   O2Z  _O36    64     1.51355   107.08040   179.26885
   59    57 S   O2Z  _O35    65     1.51388   108.08218   -48.99980
   60    56 S   NB   _N5_    48     1.34213   127.75521     0.24309
   61    57 S   OS   _O37    66     1.62874    98.14044    66.35254
   62    60 S   CQ   _C4_    49     1.34742   110.60770  -179.89913
   63    62 S   HA   _H7_    50     1.08493   115.79588  -179.89347
   64    61 S   SY   _S1_    67     1.63118   115.79272  -163.37481
   65    64 S   OY   _O40    68     1.46252   103.05435  -163.63664
   66    64 S   OY   _O38    69     1.46127   103.94993    77.61447
   67    64 S   OY   _O39    70     1.46046   106.06649   -43.64157
   68    62 S   NB   _N4_    51     1.35367   128.65571     0.12195
   69    54 S   CA   _C5_    52     1.40357   131.80496  -179.83929
   70    69 S   NND  _N8_    53     1.38114   122.23694    -0.21306
   71    70 S   H    _H12    54     1.01084   120.41320    -0.10279
   72    70 S   H    _H13    55     1.01020   119.36262  -179.98022
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1  12   7  14   6   4   1  10   8   6   3   6
   4   6   7   3   2   8   5   6   7   3   2   4   4   4   2   3
   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    48    49    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    48    49    51    52    53    55    42    43  
   38    39    40    45    48    49    51    42  
   36    37  
   37  
    0  
   39    40    41    44    46    56    45    48    49    51    42    43  
   40    41    44    45    48    42    43  
   41    44    46    47    50    54    56    60    45    48    49    51    42    43  
   44    46    56    45    48    42  
   43    44    45    48  
    0  
   46    47    50    54    56    60    62    69    45    48  
   48    49    51    52    53    55    46    56  
   47    50    54    56    60    69  
   50    54    56  
   49    51    52    53    55    57  
   51    52    53    55  
   54    56    60    68    69    70  
   52    53    55    57    58    59    61  
   53    55    57  
   55    57  
   56    60    62    68    69    70    71    72  
   57    58    59    61    64  
   60    62    63    68    69    70  
   58    59    61    64    65    66    67  
   59    61    64  
   61    64  
   62    63    68    69  
   64    65    66    67  
   63    68    69    70  
   68    69  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   45   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   51   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   55   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   61   2.9000   0.1400  -0.641700   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   65   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   66   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   67   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   68   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   69   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   71   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   72   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    48   268.000  1.529
   38    39   340.000  1.090
   38    40   250.000  1.527
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   275.000  1.479
   40    45   320.000  1.380
   44    46   440.000  1.371
   44    56   436.000  1.374
   46    47   367.000  1.080
   46    50   529.000  1.304
   50    54   414.000  1.391
   54    56   447.000  1.419
   54    69   469.000  1.404
   56    60   461.000  1.354
   60    62   502.000  1.324
   62    63   367.000  1.080
   62    68   502.000  1.324
   68    69   483.000  1.339
   69    70   481.000  1.340
   70    71   434.000  1.010
   70    72   434.000  1.010
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   320.000  1.410
   55    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    61   230.000  1.697
   61    64   335.000  1.682
   64    65   735.000  1.471
   64    66   735.000  1.471
   64    67   735.000  1.471
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    75.00000  109.43000
   33    38    42    50.00000  109.50000
   33    48    45    50.00000  109.50000
   33    48    49    37.50000  110.70000
   33    48    51    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    45.00000  112.01100
   38    40    44    75.00000  107.44000
   38    40    45    90.00000  108.56700
   38    42    43    55.00000  108.50000
   40    38    39    45.00000  108.72000
   40    44    46    70.00000  128.80000
   40    44    56    70.00000  125.80000
   40    45    48    60.00000  109.50000
   44    40    41    55.00000  103.44000
   44    46    47    35.00000  123.05000
   44    46    50    70.00000  113.90000
   44    56    54    70.00000  106.20000
   44    56    60    70.00000  126.20000
   46    50    54    70.00000  103.80000
   50    46    47    35.00000  123.05000
   50    54    56    70.00000  110.40000
   50    54    69    70.00000  132.40000
   54    56    60    70.00000  127.70000
   54    69    68    70.00000  117.30000
   54    69    70    70.00000  123.50000
   56    44    46    70.00000  105.40000
   56    60    62    70.00000  111.00000
   60    62    63    35.00000  115.45000
   60    62    68    70.00000  129.10000
   62    68    69    70.00000  118.60000
   68    62    63    35.00000  115.45000
   68    69    70    70.00000  119.30000
   69    54    56    85.00000  116.20000
   69    70    71    35.00000  120.00000
   69    70    72    35.00000  120.00000
   72    70    71    35.00000  120.00000
   45    40    41    35.00000  109.50000
   45    40    44   105.00000  106.22000
   45    48    49    35.00000  109.50000
   45    48    51    50.00000  109.50000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    55    50.00000  109.50000
   51    48    49    37.50000  110.70000
   51    55    57   100.00000  120.50000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   55    57    58   100.00000  108.23000
   55    57    59   100.00000  108.23000
   55    57    61    45.00000  102.60000
   57    61    64    75.00000  113.00000
   59    57    58   140.00000  119.90000
   61    57    58   100.00000  108.23000
   61    57    59   100.00000  108.23000
   61    64    65   135.00000  106.70400
   61    64    66   135.00000  106.70400
   61    64    67   135.00000  106.70400
   66    64    65   115.00000  120.17200
   67    64    65   115.00000  120.17200
   67    64    66   115.00000  120.17200
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  111.58700
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    48    45   0.56750  1.0 1.0
   29    33    48    45  -0.07550 -1.0 2.0
   29    33    48    45   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44  -0.64600  1.0 1.0
   33    38    40    44   0.58400 -1.0 2.0
   33    38   -40    45   0.62750  1.0 1.0
   33    38   -40    45  -0.30950 -1.0 2.0
   33    38   -40    45   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    48    51    52   0.15000  1.0 3.0
   33    48    51    53   0.15000  1.0 3.0
   33    48    51    55   0.62750  1.0 1.0
   33    48    51    55  -0.30950 -1.0 2.0
   33    48    51    55   0.27300  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    48    45   0.23400  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    51   0.15000  1.0 3.0
   38    33   -48    45   0.62750  1.0 1.0
   38    33   -48    45  -0.30950 -1.0 2.0
   38    33   -48    45   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    51   0.56750  1.0 1.0
   38    33    48    51  -0.07550 -1.0 2.0
   38    33    48    51   0.20000  1.0 3.0
   38    40    44    46   1.10250  1.0 1.0
   38    40    44    46   0.01650 -1.0 2.0
   38    40    44    46   0.39100  1.0 3.0
   38    40    44    56   1.10250  1.0 1.0
   38    40    44    56   0.01650 -1.0 2.0
   38    40    44    56   0.39100  1.0 3.0
   38    40   -45    48   0.06250  1.0 1.0
   38    40   -45    48  -0.01100 -1.0 2.0
   38    40   -45    48   0.28050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    46    47   3.62500 -1.0 2.0
   40    44    46    50   3.62500 -1.0 2.0
   40    44    56    54   0.81400  1.0 1.0
   40    44    56    54   1.55550 -1.0 2.0
   40    44    56    60   3.62500 -1.0 2.0
   40    45   -48    33   0.06250  1.0 1.0
   40    45   -48    33  -0.01100 -1.0 2.0
   40    45   -48    33   0.28050  1.0 3.0
   40    45    48    49   0.37050  1.0 3.0
   40    45    48    51   0.06250  1.0 1.0
   40    45    48    51  -0.01100 -1.0 2.0
   40    45    48    51   0.28050  1.0 3.0
   41    40    44    46   0.00000  1.0 1.0
   41    40    44    56   0.00000  1.0 1.0
   41    40    45    48   0.37050  1.0 3.0
   44    40    45    48  -2.37750  1.0 1.0
   44    40    45    48  -0.08150 -1.0 2.0
   44    40    45    48   0.59000  1.0 3.0
   44    46   -50    54   3.62500 -1.0 2.0
   44    56    60    62   3.62500 -1.0 2.0
   46    44   -56    54   0.70250  1.0 1.0
   46    44   -56    54   1.56150 -1.0 2.0
   46    44    56    60   3.62500 -1.0 2.0
   46    50   -54    56   3.62500 -1.0 2.0
   46    50    54    69   3.62500 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   50    54   -56    44   3.62500 -1.0 2.0
   50    54    56    60   3.62500 -1.0 2.0
   50    54    69    68   3.62500 -1.0 2.0
   50    54    69    70   3.62500 -1.0 2.0
   54    56    60    62   3.62500 -1.0 2.0
   54    69    70    71   0.70000 -1.0 2.0
   54    69    70    72   0.70000 -1.0 2.0
   56    44    46    47   3.62500 -1.0 2.0
   56    44   -46    50   3.62500 -1.0 2.0
   56    54    69    68   3.62500 -1.0 2.0
   56    54    69    70   3.62500 -1.0 2.0
   56    60    62    63   3.62500 -1.0 2.0
   56    60   -62    68   3.62500 -1.0 2.0
   60    62    68    69   3.62500 -1.0 2.0
   62    68   -69    54   3.62500 -1.0 2.0
   62    68    69    70   3.62500 -1.0 2.0
   63    62    68    69   3.62500 -1.0 2.0
   68    69    70    71   0.70000 -1.0 2.0
   68    69    70    72   0.70000 -1.0 2.0
   69    54    56    44   3.00000 -1.0 2.0
   69    54   -56    60   3.62500 -1.0 2.0
   45    40    44    46   0.10350  1.0 1.0
   45    40    44    46  -0.15350 -1.0 2.0
   45    40    44    56   0.10350  1.0 1.0
   45    40    44    56  -0.15350 -1.0 2.0
   45    48    51    52   0.23400  1.0 3.0
   45    48    51    53   0.23400  1.0 3.0
   45    48    51    55   1.11900  1.0 1.0
   45    48    51    55  -1.16350 -1.0 2.0
   45    48    51    55  -0.34150  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   3.97050  1.0 1.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    51    55    57  -2.65550  1.0 1.0
   48    51    55    57  -0.22350 -1.0 2.0
   48    51    55    57   0.24150  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    55   0.23400  1.0 3.0
   51    55    57    58   0.00000  1.0 1.0
   51    55    57    59   0.00000  1.0 1.0
   51    55    57    61   0.05050  1.0 1.0
   51    55    57    61  -1.30700 -1.0 2.0
   51    55    57    61   0.91550  1.0 3.0
   52    51    55    57   0.03000  1.0 3.0
   53    51    55    57   0.03000  1.0 3.0
   55    57    61    64   0.15000  1.0 3.0
   57    61    64    65   0.29800  1.0 3.0
   57    61    64    66   0.29800  1.0 3.0
   57    61    64    67   0.29800  1.0 3.0
   58    57    61    64   0.00000  1.0 1.0
   59    57    61    64   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   2.76900  1.0 1.0
   42    38    40    44  -0.24350 -1.0 2.0
   42    38    40    44  -0.78250  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   46    56    44    40   4.00000 -1.0 2.0
   50    47    46    44   1.10000 -1.0 2.0
   56    69    54    50   4.00000 -1.0 2.0
   54    60    56    44   4.00000 -1.0 2.0
   68    63    62    60   1.10000 -1.0 2.0
   68    70    69    54   4.00000 -1.0 2.0
   72    69    70    71   1.00000 -1.0 2.0
END
