* LIGAND DATABASE FILE (OPLS2005)
*
001      69    69    123    179     362
    1     0 S   NP   _N1_     1    30.70849    90.77656   -18.20057
    2     1 S   H    _HN1     2     1.02698    72.35859   -65.12529
    3     1 S   H    _H1_     3     1.03600   145.37407    30.51214
    4     1 S   H    _H2_     4     1.02803    45.70692    75.81792
    5     1 S   CT   _CA1     5     1.50559   100.60435  -175.47996
    6     5 S   HC   _HA1     6     1.09515   105.04646    22.77746
    7     5 S   CO3  _C1_     7     1.54299   112.77194   -96.01079
    8     7 S   O2Z  _O11     8     1.26528   115.10211     0.01978
    9     7 S   O2Z  _O12     9     1.26232   115.73555   179.18843
   10     5 S   CT   _CB1    10     1.52910   106.63742   141.36094
   11    10 S   HC   HB11    11     1.09890   110.13578   -29.43641
   12    10 S   HC   HB12    12     1.09623   109.11868    86.39802
   13    10 S   CT   _CG1    13     1.53210   114.46449  -150.89421
   14    13 S   HC   HG11    14     1.09386   111.85432   -61.89609
   15    13 S   HC   HG12    15     1.09543   110.95267    58.29382
   16    13 S   C    _CD1    16     1.51588   108.02321   177.00631
   17    16 S   O    _OE1    17     1.22843   121.80071   -88.58556
   18    16 S   N    _N2_    18     1.38197   112.73653    87.05457
   19    18 S   H    _HN2    19     1.02069   119.23157    11.84839
   20    18 S   CT1  _CA2    20     1.46255   123.79122  -162.64093
   21    20 S   HC   _HA2    21     1.09745   108.83860     9.84880
   22    20 S   C    _C2_    22     1.53341   110.45741  -106.91511
   23    22 S   O    _O2_    23     1.23117   121.85258  -148.83875
   24    20 S   CT   _CB2    32     1.54061   110.35416   130.36023
   25    24 S   HC   HB21    33     1.09081   108.42580    66.56796
   26    24 S   HC   HB22    34     1.09492   110.72059  -175.39776
   27    22 S   N    _N3_    24     1.38379   114.00369    38.98590
   28    27 S   H    _HN3    25     1.01462   119.05203    -0.76156
   29    24 S   S    _SG2    35     1.83010   110.76858   -55.08583
   30    27 S   CT   _CA3    26     1.45419   123.19128   175.67632
   31    30 S   HC   HA31    27     1.09548   108.88884    30.70283
   32    30 S   HC   HA32    28     1.09493   107.19029   147.56168
   33    29 S   CT   _C7_    36     1.84524   102.61176   159.42992
   34    33 S   HC   _H6_    37     1.09694   105.34001    65.54943
   35    30 S   CO3  _C3_    29     1.52934   113.43376   -92.60311
   36    35 S   O2Z  _O31    30     1.26383   115.54069   -44.16062
   37    35 S   O2Z  _O32    31     1.26394   114.94393   136.90378
   38    33 S   CT   _C6_    38     1.55203   107.47374  -179.38388
   39    38 S   HC   _H5_    39     1.09790   109.19295   -55.24375
   40    38 S   CT   _C5_    40     1.53639   110.28401  -175.38285
   41    40 S   HC   _H4_    41     1.09586   110.73185  -176.19229
   42    38 S   OS   _O41    64     1.42773   110.40908    65.64775
   43    40 S   CT   _C4_    42     1.53628   110.62182   -56.35795
   44    43 S   HC   _H3_    43     1.09733   108.54077   -65.50002
   45    40 S   OH   _O45    62     1.42573   109.93412    66.08379
   46    45 S   HO   _H12    63     0.97232   107.45206    61.20805
   47    42 S   P2   _P3_    65     1.62798   120.48770  -143.84857
   48    47 S   O2Z  _O44    66     1.51231   109.27341    99.42176
   49    47 S   O2Z  _O42    67     1.51141   110.21616   -35.99158
   50    43 S   CT   _C9_    44     1.53587   113.60946    54.62573
   51    50 S   HC   _H8_    45     1.09573   107.02308  -172.66912
   52    43 S   OH   _O46    60     1.42726   110.48514   178.31553
   53    52 S   HO   _H13    61     0.97172   107.59498    51.24113
   54    47 S   OS   _O43    68     1.63024    98.00831  -148.73992
   55    54 S   HO   _H11    69     0.98396   116.89694   -74.70833
   56    33 S   CT   _C8_    46     1.54840   115.21486   -53.77390
   57    56 S   HC   _H7_    47     1.09320   108.45100    64.39162
   58    50 S   OS   _O33    54     1.42825   110.66226    69.01674
   59    56 S   OS   _O37    48     1.42583   111.71066   -55.94105
   60    58 S   P2   _P1_    55     1.63412   119.33806   129.13998
   61    60 S   O2Z  _O36    56     1.51230   108.37448   172.54475
   62    60 S   O2Z  _O34    57     1.51179   109.86820   -53.80323
   63    59 S   P2   _P2_    49     1.63373   118.21062   139.87981
   64    63 S   O2Z  _O40    50     1.51137   108.98989   -87.99565
   65    63 S   O2Z  _O38    51     1.51303   109.90311    46.43513
   66    60 S   OS   _O35    58     1.63179    99.74928    59.63766
   67    66 S   HO   _H9_    59     0.98340   117.08520   -76.60689
   68    63 S   OS   _O39    52     1.62882    98.60553   159.81304
   69    68 S   HO   _H10    53     0.98374   116.43725    80.77630
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  17   7  13   7   8  12   7   3   1   4   3
   2  12   6   3   1   1   1   8   3   6   5   4   3   2   4   3
   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    56    57    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    56    57    59    63    58    45    42    47  
   38    39    40    50    56    57    59    42  
   36    37  
   37  
    0  
   39    40    41    43    44    50    56    57    59    52    45    46    42    47    48    49    54  
   40    41    43    56    45    42    47  
   41    43    44    50    51    56    58    52    53    45    46    42    47  
   43    44    50    52    45    46    42  
   47    48    49    54    55    43    45    56  
   44    50    51    56    57    59    58    60    52    53    45    46  
   50    51    56    58    52    53    45  
   46    50    52  
    0  
   48    49    54    55  
   49    54    55  
   54    55  
   51    56    57    59    63    58    60    61    62    66    52    53  
   56    57    59    58    60    52  
   53    56    58  
    0  
   55  
    0  
   57    59    63    64    65    68    58    60  
   59    63    58  
   60    61    62    66    67    59  
   63    64    65    68    69  
   61    62    66    67  
   62    66    67  
   66    67  
   64    65    68    69  
   65    68    69  
   68    69  
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   59   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   63   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   64   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   66   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   68   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.380000   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    56   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    52   320.000  1.410
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    58   320.000  1.410
   56    57   340.000  1.090
   56    59   320.000  1.410
   59    63   230.000  1.697
   63    64   525.000  1.480
   63    65   525.000  1.480
   63    68   230.000  1.697
   68    69   553.000  0.945
   58    60   230.000  1.697
   60    61   525.000  1.480
   60    62   525.000  1.480
   60    66   230.000  1.697
   66    67   553.000  0.945
   52    53   553.000  0.945
   45    46   553.000  0.945
   42    47   230.000  1.697
   47    48   525.000  1.480
   47    49   525.000  1.480
   47    54   230.000  1.697
   54    55   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    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    56    50    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    59    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    47   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    50    58.35000  112.70000
   40    43    52    50.00000  109.50000
   40    45    46    55.00000  108.50000
   43    40    41    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    56    58.35000  112.70000
   43    50    58    50.00000  109.50000
   43    52    53    55.00000  108.50000
   50    43    44    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    59    50.00000  109.50000
   50    58    60   100.00000  120.50000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    50    51    37.50000  110.70000
   56    59    63   100.00000  120.50000
   59    56    57    35.00000  109.50000
   59    63    64   100.00000  108.23000
   59    63    65   100.00000  108.23000
   59    63    68    45.00000  102.60000
   63    68    69    45.00000  108.50000
   65    63    64   140.00000  119.90000
   68    63    64   100.00000  108.23000
   68    63    65   100.00000  108.23000
   58    50    51    35.00000  109.50000
   58    50    56    50.00000  109.50000
   58    60    61   100.00000  108.23000
   58    60    62   100.00000  108.23000
   58    60    66    45.00000  102.60000
   60    66    67    45.00000  108.50000
   62    60    61   140.00000  119.90000
   66    60    61   100.00000  108.23000
   66    60    62   100.00000  108.23000
   52    43    44    35.00000  109.50000
   52    43    50    50.00000  109.50000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48   100.00000  108.23000
   42    47    49   100.00000  108.23000
   42    47    54    45.00000  102.60000
   47    54    55    45.00000  108.50000
   49    47    48   140.00000  119.90000
   54    47    48   100.00000  108.23000
   54    47    49   100.00000  108.23000
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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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    56    50   0.44750  1.0 1.0
   29    33    56    50  -0.17800 -1.0 2.0
   29    33    56    50   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    59   0.56750  1.0 1.0
   29    33    56    59  -0.07550 -1.0 2.0
   29    33    56    59   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.86500  1.0 1.0
   33    38    40    45  -0.17500 -1.0 2.0
   33    38    40    45   0.20800  1.0 3.0
   33    38    42    47  -2.65550  1.0 1.0
   33    38    42    47  -0.22350 -1.0 2.0
   33    38    42    47   0.24150  1.0 3.0
   33    56    59    63  -2.65550  1.0 1.0
   33    56    59    63  -0.22350 -1.0 2.0
   33    56    59    63   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    56    50   0.15000  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    59   0.23400  1.0 3.0
   38    33    56    50   0.56750  1.0 1.0
   38    33    56    50  -0.07550 -1.0 2.0
   38    33    56    50   0.20000  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    59   0.62750  1.0 1.0
   38    33    56    59  -0.30950 -1.0 2.0
   38    33    56    59   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    50   0.56750  1.0 1.0
   38    40   -43    50  -0.07550 -1.0 2.0
   38    40   -43    50   0.20000  1.0 3.0
   38    40    43    52   0.86500  1.0 1.0
   38    40    43    52  -0.17500 -1.0 2.0
   38    40    43    52   0.20800  1.0 3.0
   38    40    45    46  -0.11600  1.0 1.0
   38    40    45    46  -0.09450 -1.0 2.0
   38    40    45    46   0.21250  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.00000  1.0 1.0
   38    42    47    54   0.05050  1.0 1.0
   38    42    47    54  -1.30700 -1.0 2.0
   38    42    47    54   0.91550  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    45   0.23400  1.0 3.0
   39    38    42    47   0.03000  1.0 3.0
   40    38    42    47  -2.65550  1.0 1.0
   40    38    42    47  -0.22350 -1.0 2.0
   40    38    42    47   0.24150  1.0 3.0
   40    43    50    51   0.15000  1.0 3.0
   40    43    50    56   0.56750  1.0 1.0
   40    43    50    56  -0.07550 -1.0 2.0
   40    43    50    56   0.20000  1.0 3.0
   40    43    50    58   0.62750  1.0 1.0
   40    43    50    58  -0.30950 -1.0 2.0
   40    43    50    58   0.27300  1.0 3.0
   40    43    52    53  -0.11600  1.0 1.0
   40    43    52    53  -0.09450 -1.0 2.0
   40    43    52    53   0.21250  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    50   0.15000  1.0 3.0
   41    40    43    52   0.23400  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46  -0.11600  1.0 1.0
   43    40    45    46  -0.09450 -1.0 2.0
   43    40    45    46   0.21250  1.0 3.0
   43    50   -56    33   0.56750  1.0 1.0
   43    50   -56    33  -0.07550 -1.0 2.0
   43    50   -56    33   0.20000  1.0 3.0
   43    50    56    57   0.15000  1.0 3.0
   43    50    56    59   0.62750  1.0 1.0
   43    50    56    59  -0.30950 -1.0 2.0
   43    50    56    59   0.27300  1.0 3.0
   43    50    58    60  -2.65550  1.0 1.0
   43    50    58    60  -0.22350 -1.0 2.0
   43    50    58    60   0.24150  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    56   0.15000  1.0 3.0
   44    43    50    58   0.23400  1.0 3.0
   44    43    52    53   0.19450  1.0 3.0
   50    43    52    53  -0.11600  1.0 1.0
   50    43    52    53  -0.09450 -1.0 2.0
   50    43    52    53   0.21250  1.0 3.0
   50    56    59    63  -2.65550  1.0 1.0
   50    56    59    63  -0.22350 -1.0 2.0
   50    56    59    63   0.24150  1.0 3.0
   50    58    60    61   0.00000  1.0 1.0
   50    58    60    62   0.00000  1.0 1.0
   50    58    60    66   0.05050  1.0 1.0
   50    58    60    66  -1.30700 -1.0 2.0
   50    58    60    66   0.91550  1.0 3.0
   51    50    56    33   0.15000  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    59   0.23400  1.0 3.0
   51    50    58    60   0.03000  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33   -38    40   0.56750  1.0 1.0
   56    33   -38    40  -0.07550 -1.0 2.0
   56    33   -38    40   0.20000  1.0 3.0
   56    33    38    42   0.62750  1.0 1.0
   56    33    38    42  -0.30950 -1.0 2.0
   56    33    38    42   0.27300  1.0 3.0
   56    50    58    60  -2.65550  1.0 1.0
   56    50    58    60  -0.22350 -1.0 2.0
   56    50    58    60   0.24150  1.0 3.0
   56    59    63    64   0.00000  1.0 1.0
   56    59    63    65   0.00000  1.0 1.0
   56    59    63    68   0.05050  1.0 1.0
   56    59    63    68  -1.30700 -1.0 2.0
   56    59    63    68   0.91550  1.0 3.0
   57    56    59    63   0.03000  1.0 3.0
   59    63    68    69   0.00000  1.0 1.0
   64    63    68    69   0.00000  1.0 1.0
   65    63    68    69   0.00000  1.0 1.0
   58    50    56    33   0.62750  1.0 1.0
   58    50    56    33  -0.30950 -1.0 2.0
   58    50    56    33   0.27300  1.0 3.0
   58    50    56    57   0.23400  1.0 3.0
   58    50    56    59   1.11900  1.0 1.0
   58    50    56    59  -1.16350 -1.0 2.0
   58    50    56    59  -0.34150  1.0 3.0
   58    60    66    67   0.00000  1.0 1.0
   61    60    66    67   0.00000  1.0 1.0
   62    60    66    67   0.00000  1.0 1.0
   52    43    50    51   0.23400  1.0 3.0
   52    43    50    56   0.86500  1.0 1.0
   52    43    50    56  -0.17500 -1.0 2.0
   52    43    50    56   0.20800  1.0 3.0
   52    43    50    58   3.69350  1.0 1.0
   52    43    50    58  -1.82950 -1.0 2.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    50   0.86500  1.0 1.0
   45    40    43    50  -0.17500 -1.0 2.0
   45    40    43    50   0.20800  1.0 3.0
   45    40    43    52   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
   42    47    54    55   0.00000  1.0 1.0
   48    47    54    55   0.00000  1.0 1.0
   49    47    54    55   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
