* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    126    193     363
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02077    64.68412  -103.89327
    3     1 S   H    _H1_     3     1.02067   105.61081    -0.27052
    4     1 S   H    _H2_     4     1.02101    47.79395   101.08747
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C11    36     1.82701    98.14040  -178.23686
   34    33 S   HC   _H5_    37     1.06368   107.27636   -40.93962
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C10    38     1.52240   110.15681    80.02832
   39    38 S   HC   _H4_    39     1.09260   112.72325   -27.47764
   40    38 S   CO   _C9_    40     1.53461   104.85697    95.01914
   41    40 S   HC   _H3_    41     1.11913   111.76789   132.20139
   42    38 S   OS   _O36    65     1.43096   109.34978  -147.93716
   43    40 S   N*   _N7_    42     1.51420   112.97441  -110.44216
   44    40 S   OS   _O34    57     1.43974   107.12505    12.70056
   45    42 S   P2   _P1_    66     1.64003   117.96824   160.01759
   46    45 S   O2Z  _O38    67     1.51679   107.09341   175.22406
   47    45 S   O2Z  _O37    68     1.51687   107.92285   -55.83840
   48    45 S   HP   _H12    69     1.41041    97.14058    59.97834
   49    43 S   CRAB _C4_    43     1.37329   125.94101    88.31356
   50    49 S   HA   _H7_    44     1.08137   122.13427    -0.01978
   51    33 S   CT   _C12    58     1.52889   115.01112  -165.57953
   52    51 S   HC   _H6_    59     1.12197   108.53944   160.41457
   53    49 S   NNA  _N4_    45     1.31838   112.33519  -179.95577
   54    51 S   CT   _C13    60     1.51890   117.95293    37.75232
   55    54 S   HC   _H9_    61     1.09023   109.97040    40.00568
   56    54 S   HC   _H10    62     1.09048   109.95685   -80.87315
   57    53 S   CB   _C5_    46     1.36311   103.94278     0.00000
   58    54 S   OH   _O35    63     1.41569   108.61978   159.55920
   59    58 S   HO   _H11    64     0.97234   107.11446  -179.96574
   60    43 S   CN   _C8_    47     1.36390   127.24885   -91.63247
   61    60 S   NNC  _N6_    48     1.35172   126.09772    -0.00000
   62    61 S   CDX  _C7_    49     1.31606   113.00041   180.00000
   63    62 S   NNB  _N5_    50     1.41557   122.62885    -0.04846
   64    63 S   H    _H8_    51     1.01593   117.30418  -180.00000
   65    62 S   NND  _N8_    54     1.37068   122.03612  -179.95154
   66    65 S   H    _H13    55     0.99365   118.28067    -0.03956
   67    65 S   H    _H14    56     0.99401   118.28419   180.00000
   68    57 S   C    _C6_    52     1.43753   128.70077   180.00000
   69    68 S   O    _O33    53     1.22393   123.75441     0.03426
  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  15   7  14   6   7  10   8   3   2   1   1
   6   3   6   4   6   4   3   2   7   1   1   6   7   7   6   3
   3   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    51    52    54    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    44    51    52    54    55    56    58    42    45  
   38    39    40    44    51    52    54    42  
   36    37  
   37  
    0  
   39    40    41    43    49    60    44    51    52    54    42    45    46    47    48  
   40    41    43    44    51    42    45  
   41    43    49    50    53    57    60    61    44    51    52    54    42    45  
   43    49    60    44    51    42  
   45    46    47    48    43    44    51  
   49    50    53    57    60    61    62    68    44    51  
   51    52    54    55    56    58    49    60  
   46    47    48  
   47    48  
   48  
    0  
   50    53    57    60    61    68  
   53    57    60  
   52    54    55    56    58    59  
   54    55    56    58  
   57    60    61    63    68    69  
   55    56    58    59  
   56    58    59  
   58    59  
   60    61    62    63    64    68    69  
   59  
    0  
   61    62    63    68    69    65  
   62    63    64    68    65    66    67  
   63    64    68    69    65    66    67  
   64    68    69    65    66    67  
   68    69    65  
   66    67    68  
   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   2.5000   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   0.140000   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   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.7400   0.2000   1.352500   2.1070   1.8700   0.005000000   0.000000000
   46   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   47   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   48   2.5000   0.0300  -0.002500   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   54   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0800   0.120000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0800   0.340000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.2500   0.1700  -0.510000   1.9250   1.7000   0.054801302  -2.445846770
   62   3.5000   0.0800   0.460000   2.1120   1.8750   0.001000000  -0.126889456
   63   3.2500   0.1700  -0.560000   2.1120   1.8750   0.051222218  -2.220205820
   64   0.0000   0.0000   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   65   3.2500   0.1700  -0.800000   2.1120   1.8750   0.051222218  -2.220205820
   66   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   67   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.7500   0.1050   0.520000   1.9250   1.7000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.510000   1.5250   1.4250   0.001000000  -1.480495490
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    51   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    43   275.000  1.479
   40    44   320.000  1.380
   43    49   440.000  1.371
   43    60   436.000  1.374
   49    50   367.000  1.080
   49    53   529.000  1.304
   53    57   414.000  1.391
   57    60   520.000  1.370
   57    68   447.000  1.419
   60    61   461.000  1.354
   61    62   585.000  1.311
   62    63   427.000  1.381
   62    65   481.000  1.340
   63    64   434.000  1.010
   63    68   418.000  1.388
   68    69   570.000  1.229
   65    66   434.000  1.010
   65    67   434.000  1.010
   44    51   320.000  1.410
   51    52   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    58   320.000  1.410
   58    59   553.000  0.945
   42    45   230.000  1.697
   45    46   525.000  1.480
   45    47   525.000  1.480
   45    48   210.000  1.425
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    51    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    51    44    50.00000  109.50000
   33    51    52    37.50000  110.70000
   33    51    54    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    45.00000  112.01100
   38    40    43    75.00000  107.44000
   38    40    44    90.00000  108.56700
   38    42    45   100.00000  120.50000
   40    38    39    45.00000  108.72000
   40    43    49    70.00000  128.80000
   40    43    60    70.00000  125.80000
   40    44    51    60.00000  109.50000
   43    40    41    55.00000  103.44000
   43    49    50    35.00000  123.05000
   43    49    53    70.00000  113.90000
   43    60    57    70.00000  106.20000
   43    60    61    70.00000  126.20000
   49    53    57    70.00000  103.80000
   53    49    50    35.00000  123.05000
   53    57    60    70.00000  110.40000
   53    57    68    70.00000  130.00000
   57    60    61    70.00000  127.70000
   57    68    63    70.00000  111.30000
   57    68    69    80.00000  128.80000
   60    43    49    70.00000  105.40000
   60    61    62    70.00000  112.20000
   61    62    63    70.00000  123.30000
   61    62    65    70.00000  119.30000
   62    63    64    35.00000  118.00000
   62    63    68    70.00000  125.20000
   62    65    66    35.00000  120.00000
   62    65    67    35.00000  120.00000
   63    68    69    80.00000  120.60000
   68    57    60    85.00000  119.20000
   68    63    64    35.00000  116.80000
   65    62    63    70.00000  116.00000
   67    65    66    35.00000  120.00000
   44    40    41    35.00000  109.50000
   44    40    43   105.00000  106.22000
   44    51    52    35.00000  109.50000
   44    51    54    50.00000  109.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    58    50.00000  109.50000
   54    51    52    37.50000  110.70000
   54    58    59    55.00000  108.50000
   56    54    55    33.00000  107.80000
   58    54    55    35.00000  109.50000
   58    54    56    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  109.38000
   42    45    46   100.00000  108.23000
   42    45    47   100.00000  108.23000
   42    45    48    60.00000   98.85000
   47    45    46   140.00000  119.90000
   48    45    46    55.00000  110.24000
   48    45    47    55.00000  110.24000
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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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    51    44   0.56750  1.0 1.0
   29    33    51    44  -0.07550 -1.0 2.0
   29    33    51    44   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    54   0.44750  1.0 1.0
   29    33    51    54  -0.17800 -1.0 2.0
   29    33    51    54   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43  -0.64600  1.0 1.0
   33    38    40    43   0.58400 -1.0 2.0
   33    38   -40    44   0.62750  1.0 1.0
   33    38   -40    44  -0.30950 -1.0 2.0
   33    38   -40    44   0.27300  1.0 3.0
   33    38    42    45  -2.65550  1.0 1.0
   33    38    42    45  -0.22350 -1.0 2.0
   33    38    42    45   0.24150  1.0 3.0
   33    51    54    55   0.15000  1.0 3.0
   33    51    54    56   0.15000  1.0 3.0
   33    51    54    58   0.86500  1.0 1.0
   33    51    54    58  -0.17500 -1.0 2.0
   33    51    54    58   0.20800  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    51    44   0.23400  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    54   0.15000  1.0 3.0
   38    33   -51    44   0.62750  1.0 1.0
   38    33   -51    44  -0.30950 -1.0 2.0
   38    33   -51    44   0.27300  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    54   0.56750  1.0 1.0
   38    33    51    54  -0.07550 -1.0 2.0
   38    33    51    54   0.20000  1.0 3.0
   38    40    43    49   1.10250  1.0 1.0
   38    40    43    49   0.01650 -1.0 2.0
   38    40    43    49   0.39100  1.0 3.0
   38    40    43    60   1.10250  1.0 1.0
   38    40    43    60   0.01650 -1.0 2.0
   38    40    43    60   0.39100  1.0 3.0
   38    40   -44    51   0.06250  1.0 1.0
   38    40   -44    51  -0.01100 -1.0 2.0
   38    40   -44    51   0.28050  1.0 3.0
   38    42    45    46   0.00000  1.0 1.0
   38    42    45    47   0.00000  1.0 1.0
   38    42    45    48   0.15000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    42    45   0.03000  1.0 3.0
   40    38    42    45  -2.65550  1.0 1.0
   40    38    42    45  -0.22350 -1.0 2.0
   40    38    42    45   0.24150  1.0 3.0
   40    43    49    50   3.62500 -1.0 2.0
   40    43    49    53   3.62500 -1.0 2.0
   40    43    60    57   0.81400  1.0 1.0
   40    43    60    57   1.55550 -1.0 2.0
   40    43    60    61   3.62500 -1.0 2.0
   40    44   -51    33   0.06250  1.0 1.0
   40    44   -51    33  -0.01100 -1.0 2.0
   40    44   -51    33   0.28050  1.0 3.0
   40    44    51    52   0.37050  1.0 3.0
   40    44    51    54   0.06250  1.0 1.0
   40    44    51    54  -0.01100 -1.0 2.0
   40    44    51    54   0.28050  1.0 3.0
   41    40    43    49   0.00000  1.0 1.0
   41    40    43    60   0.00000  1.0 1.0
   41    40    44    51   0.37050  1.0 3.0
   43    40    44    51  -2.37750  1.0 1.0
   43    40    44    51  -0.08150 -1.0 2.0
   43    40    44    51   0.59000  1.0 3.0
   43    49   -53    57   3.62500 -1.0 2.0
   43    60    61    62   1.25000 -1.0 2.0
   49    43   -60    57   0.70250  1.0 1.0
   49    43   -60    57   1.56150 -1.0 2.0
   49    43    60    61   3.62500 -1.0 2.0
   49    53   -57    60   3.62500 -1.0 2.0
   49    53    57    68   3.62500 -1.0 2.0
   50    49    53    57   3.62500 -1.0 2.0
   53    57   -60    43   3.62500 -1.0 2.0
   53    57    60    61   3.62500 -1.0 2.0
   53    57    68    63   5.37500 -1.0 2.0
   53    57    68    69   0.41000 -1.0 2.0
   57    60    61    62   3.62500 -1.0 2.0
   60    43    49    50   3.62500 -1.0 2.0
   60    43   -49    53   3.62500 -1.0 2.0
   60    57    68    63   1.50000 -1.0 2.0
   60    57    68    69   1.05000 -1.0 2.0
   60    61   -62    63   3.62500 -1.0 2.0
   60    61    62    65   3.62500 -1.0 2.0
   61    62    63    64   3.62500 -1.0 2.0
   61    62    63    68   3.62500 -1.0 2.0
   61    62    65    66   0.70000 -1.0 2.0
   61    62    65    67   0.70000 -1.0 2.0
   62    63   -68    57   1.52500 -1.0 2.0
   62    63    68    69   3.04450 -1.0 2.0
   63    62    65    66   1.01500 -1.0 2.0
   63    62    65    67   1.01500 -1.0 2.0
   64    63    68    57   1.52500 -1.0 2.0
   64    63    68    69   2.45000 -1.0 2.0
   68    57    60    43   3.62500 -1.0 2.0
   68    57   -60    61   3.62500 -1.0 2.0
   65    62    63    64   3.62500 -1.0 2.0
   65    62    63    68   3.62500 -1.0 2.0
   44    40    43    49   0.10350  1.0 1.0
   44    40    43    49  -0.15350 -1.0 2.0
   44    40    43    60   0.10350  1.0 1.0
   44    40    43    60  -0.15350 -1.0 2.0
   44    51    54    55   0.23400  1.0 3.0
   44    51    54    56   0.23400  1.0 3.0
   44    51    54    58   3.69350  1.0 1.0
   44    51    54    58  -1.82950 -1.0 2.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   3.97050  1.0 1.0
   51    33    38    42   0.62750  1.0 1.0
   51    33    38    42  -0.30950 -1.0 2.0
   51    33    38    42   0.27300  1.0 3.0
   51    54    58    59  -0.11600  1.0 1.0
   51    54    58    59  -0.09450 -1.0 2.0
   51    54    58    59   0.21250  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    58   0.23400  1.0 3.0
   55    54    58    59   0.19450  1.0 3.0
   56    54    58    59   0.19450  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43  -0.86350  1.0 1.0
   42    38    40    43   0.04750 -1.0 2.0
   42    38    40    44   1.11900  1.0 1.0
   42    38    40    44  -1.16350 -1.0 2.0
   42    38    40    44  -0.34150  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
   36    30    35    37  10.50000 -1.0 2.0
   49    60    43    40   4.00000 -1.0 2.0
   53    50    49    43   1.10000 -1.0 2.0
   60    68    57    53   4.00000 -1.0 2.0
   57    61    60    43   4.00000 -1.0 2.0
   63    65    62    61  10.50000 -1.0 2.0
   64    62    63    68   1.00000 -1.0 2.0
   57    63    68    69  10.50000 -1.0 2.0
   67    62    65    66   1.00000 -1.0 2.0
END
