* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    142    225     411
    1     0 S   NP   _N1_     1    28.00815    98.11428   -23.60950
    2     1 S   H    _HN1     2     1.02776   109.21901  -110.75311
    3     1 S   H    _H1_     3     1.02958    70.76708    -7.37954
    4     1 S   H    _H2_     4     1.02835    38.01374   154.52060
    5     1 S   CT   _CA1     5     1.50135   135.12662    92.55374
    6     5 S   HC   _HA1     6     1.09575   105.20928    94.68731
    7     5 S   CO3  _C1_     7     1.53781   112.35739   -25.49212
    8     7 S   O2Z  _O11     8     1.26366   114.99164   -43.80951
    9     7 S   O2Z  _O12     9     1.26234   114.93106   135.25415
   10     5 S   CT   _CB1    10     1.53093   107.41848  -147.41006
   11    10 S   HC   HB11    11     1.09828   109.31928   -50.46707
   12    10 S   HC   HB12    12     1.09815   110.43092    66.08414
   13    10 S   CT   _CG1    13     1.53023   112.68258  -171.53545
   14    13 S   HC   HG11    14     1.09594   110.49635   -64.64860
   15    13 S   HC   HG12    15     1.09657   109.91214    54.55622
   16    13 S   C    _CD1    16     1.51846   112.30237   174.91708
   17    16 S   O    _OE1    17     1.22754   123.27197     0.80600
   18    16 S   N    _N2_    18     1.38553   111.72056  -179.19109
   19    18 S   H    _HN2    19     1.01557   119.05520     4.36646
   20    18 S   CT1  _CA2    20     1.45854   122.89542   177.85278
   21    20 S   HC   _HA2    21     1.09729   108.90928    24.14870
   22    20 S   C    _C2_    22     1.52926   106.94957   -92.88260
   23    22 S   O    _O2_    23     1.22990   123.03082   -27.28023
   24    20 S   CT   _CB2    32     1.53200   112.24296   147.28727
   25    24 S   HC   HB21    33     1.09596   110.17005    54.39580
   26    24 S   HC   HB22    34     1.09420   109.95384   173.20459
   27    22 S   N    _N3_    24     1.38499   112.60327   155.34543
   28    27 S   H    _HN3    25     1.01664   120.35565    -1.80786
   29    24 S   S    _SG2    35     1.82765   110.99451   -66.17569
   30    27 S   CT   _CA3    26     1.45346   122.43378   178.56115
   31    30 S   HC   HA31    27     1.09570   107.67273   -58.01954
   32    30 S   HC   HA32    28     1.09564   107.72645    58.28421
   33    29 S   CT   _C11    36     1.83341    99.84556   176.39467
   34    33 S   HC   _H7_    37     1.10036   101.76374   -46.87663
   35    30 S   CO3  _C3_    29     1.52876   114.38238  -179.92867
   36    35 S   O2Z  _O31    30     1.26323   116.08733    -3.14573
   37    35 S   O2Z  _O32    31     1.26445   114.39870   176.91485
   38    33 S   CT   _C12    38     1.59201   112.68591    69.84735
   39    38 S   OM   _O36    39     1.32626   107.51058  -134.89047
   40    38 S   HC   _H8_    40     1.09909   107.69207    -8.01949
   41    33 S   C3T  _C10    59     1.51915   115.11181  -158.24220
   42    41 S   HC   _H6_    60     1.08667   109.57878   157.13203
   43    38 S   CM   _C13    41     1.51075   110.88841   106.53651
   44    68 S   O3T  _O33    61     1.45112   112.92694   124.51029
   45    43 S   CM   _C14    42     1.33608   131.49378    87.61400
   46    45 S   HC   _H15    43     1.08150   124.44461     5.52333
   47    45 S   CT   _C15    44     1.47438   111.83928  -166.02519
   48    47 S   HC   _H9_    45     1.09549   109.75261  -118.66279
   49    47 S   CT   _C6_    46     1.55140   115.99107   114.41793
   50    49 S   HC   _H4_    47     1.09943   109.39172  -134.54198
   51    47 S   OS   _O34    70     1.43482   103.24500    -5.67893
   52    49 S   CT   _C5_    48     1.53602   110.15154   106.23962
   53    52 S   HC   _H3_    49     1.09700   111.11883   -43.05729
   54    43 S   CO4  _C16    71     1.47293   122.72951   -86.18330
   55    54 S   O    _O35    72     1.21889   126.03029   -11.89466
   56    52 S   CO4  _C18    50     1.50190   102.88861  -157.65455
   57    56 S   O    _O38    51     1.22095   126.16399  -161.30687
   58    52 S   CT   _C4_    66     1.52145   112.97247    81.80001
   59    58 S   HC   _H10    67     1.09573   111.41073    59.84096
   60    58 S   HC   _H11    68     1.09409   111.37987   -61.09273
   61    58 S   HC   _H12    69     1.09546   110.60048   178.96770
   62    56 S   OS   _O37    52     1.36121   109.48435    20.34495
   63    49 S   CT   _C7_    53     1.54159   118.66339    -9.55666
   64    63 S   HC   _H5_    54     1.09442   112.54289    38.80704
   65    63 S   CT   _C8_    55     1.53490   117.85169   -91.02174
   66    65 S   HC   _H13    56     1.09946   107.94607  -168.28895
   67    65 S   HC   _H14    57     1.09851   109.13467   -56.04735
   68    65 S   C3T  _C9_    58     1.51151   115.86257    69.09039
   69    68 S   CT   _C17    62     1.50333   114.16396  -108.80812
   70    69 S   HC   _H16    63     1.08730   113.87815   160.71368
   71    69 S   HC   _H17    64     1.09491   110.69003    40.25640
   72    69 S   HC   _H18    65     1.09572   110.13092   -78.05851
  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
  13   8   2   1   1  13   5   4  12   4   8   9  10   5  14   6
  18   9   4  11   8   1   1   9   3   5   2   1   1   6   6   4
   7   3   2   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    68    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    45    65    68    41    42    44    69    54  
   38    39    40    43    68    41    42    44  
   36    37  
   37  
    0  
   39    40    43    45    46    47    68    41    42    44    51    54    55  
   40    43    45    41    54  
   43    45    41    54  
   42    44    69    70    71    72    43    63    65    66    67    68  
   44    69    65    68  
   45    46    47    48    49    51    54    55  
   69    70    71    72    63    65    66    67    68  
   46    47    48    49    50    52    63    51    54    55  
   47    48    49    51    54  
   48    49    50    52    53    56    62    63    64    65    58    51    54    55  
   49    50    52    63    51    54  
   50    52    53    56    57    62    63    64    65    66    67    68    58    59    60    61    51    54  
   52    53    56    62    63    64    65    58    51  
   54    55    52    63  
   53    56    57    62    63    64    65    58    59    60    61  
   56    57    62    63    58    59    60    61  
   55  
    0  
   57    62    63    64    65    58    59    60    61  
   62    63    58  
   59    60    61    62    63  
   60    61  
   61  
    0  
   63    64    65    66    67    68  
   64    65    66    67    68    69  
   65    66    67    68  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    41   275.000  1.510
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    43   317.000  1.510
   43    45   549.000  1.340
   43    54   320.000  1.462
   45    46   340.000  1.080
   45    47   317.000  1.510
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   320.000  1.410
   49    50   340.000  1.090
   49    52   268.000  1.529
   49    63   268.000  1.529
   52    53   340.000  1.090
   52    56   317.000  1.522
   52    58   268.000  1.529
   56    57   570.000  1.229
   56    62   214.000  1.327
   62    63   320.000  1.410
   63    64   340.000  1.090
   63    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   275.000  1.510
   68    41   260.000  1.509
   68    44   335.000  1.432
   68    69   275.000  1.510
   41    42   340.000  1.088
   41    44   335.000  1.432
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   51    54   214.000  1.327
   54    55   570.000  1.229
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    41    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    43    70.00000  112.02700
   33    41    68    60.00000  120.94000
   33    41    42    40.00000  115.04500
   33    41    44    80.00000  116.47100
   38    33    34    37.50000  110.70000
   38    43    45    70.00000  124.00000
   38    43    54    65.00000  116.34900
   40    38    39    45.00000  125.66300
   43    38    39    85.00000  110.90400
   43    38    40    35.00000  109.50000
   43    45    46    35.00000  120.00000
   43    45    47    70.00000  124.00000
   43    54    51    90.00000  111.29400
   43    54    55    80.00000  123.72100
   45    47    48    35.00000  109.50000
   45    47    49    70.00000  112.02700
   45    47    51    85.00000  110.90400
   47    45    46    35.00000  117.00000
   47    49    50    37.50000  110.70000
   47    49    52    58.35000  112.70000
   47    49    63    58.35000  112.70000
   47    51    54    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    56    63.00000  111.10000
   49    52    58    58.35000  112.70000
   49    63    62    50.00000  109.50000
   49    63    64    37.50000  110.70000
   49    63    65    58.35000  112.70000
   52    49    50    37.50000  110.70000
   52    56    57    80.00000  120.40000
   52    56    62    81.00000  111.40000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   56    52    53    35.00000  109.50000
   56    62    63    83.00000  116.90000
   62    56    57    83.00000  123.40000
   62    63    64    35.00000  109.50000
   62    63    65    50.00000  109.50000
   63    49    50    37.50000  110.70000
   63    49    52    58.35000  112.70000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    65    68    70.00000  112.37300
   65    63    64    37.50000  110.70000
   65    68    41    60.00000  120.94000
   65    68    44    80.00000  116.47100
   65    68    69    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    45.00000  109.38400
   68    65    67    45.00000  109.38400
   68    41    42    37.50000  117.20000
   68    41    44    15.00000   60.43100
   68    44    41    15.00000   59.14900
   68    69    70    45.00000  109.38400
   68    69    71    45.00000  109.38400
   68    69    72    45.00000  109.38400
   41    33    34    45.00000  109.38400
   41    33    38    70.00000  112.37300
   44    68    41    15.00000   60.43100
   44    41    42    50.00000  114.27700
   69    68    41    60.00000  120.94000
   69    68    44    80.00000  116.47100
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   58    52    53    37.50000  110.70000
   58    52    56    63.00000  111.10000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   51    47    48    35.00000  109.50000
   51    47    49    50.00000  109.50000
   51    54    55    83.00000  123.40000
   54    43    45    65.00000  118.96000
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    68   0.44750  1.0 1.0
   29    33    41    68  -0.17800 -1.0 2.0
   29    33    41    68   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    44   0.56750  1.0 1.0
   29    33    41    44  -0.07550 -1.0 2.0
   29    33    41    44   0.20000  1.0 3.0
   33    38    43    45   0.09850  1.0 1.0
   33    38    43    45   0.15250 -1.0 2.0
   33    38    43    45  -0.50650  1.0 3.0
   33    38    43    54   0.09700  1.0 1.0
   33    38    43    54   0.15600 -1.0 2.0
   33    38    43    54  -0.50800  1.0 3.0
   33    41   -44    68   0.06250  1.0 1.0
   33    41   -44    68  -0.01100 -1.0 2.0
   33    41   -44    68   0.28050  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    68   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    44   0.23400  1.0 3.0
   38    33    41    68   0.07850  1.0 1.0
   38    33    41    68  -0.03950 -1.0 2.0
   38    33    41    68   0.67350  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    44   0.02550  1.0 1.0
   38    33    41    44  -0.02600 -1.0 2.0
   38    33    41    44   1.20400  1.0 3.0
   38    43    45    46   7.00000 -1.0 2.0
   38    43    45    47   7.00000 -1.0 2.0
   38    43    54    51  -0.15000  1.0 1.0
   38    43    54    51   0.89550 -1.0 2.0
   38    43    54    51  -0.06900  1.0 3.0
   38    43    54    55  -0.64400  1.0 1.0
   38    43    54    55   0.26850 -1.0 2.0
   39    38    43    45   0.39000  1.0 1.0
   39    38    43    45  -0.05800 -1.0 2.0
   39    38    43    45  -0.55150  1.0 3.0
   39    38    43    54   0.09700  1.0 1.0
   39    38    43    54   0.15600 -1.0 2.0
   39    38    43    54  -0.50800  1.0 3.0
   40    38    43    45   0.00000  1.0 1.0
   40    38    43    54   0.15000  1.0 3.0
   43    45    47    48   0.00000  1.0 1.0
   43    45    47    49   0.09850  1.0 1.0
   43    45    47    49   0.15250 -1.0 2.0
   43    45    47    49  -0.50650  1.0 3.0
   43    45   -47    51   0.39000  1.0 1.0
   43    45   -47    51  -0.05800 -1.0 2.0
   43    45   -47    51  -0.55150  1.0 3.0
   45    43   -54    51  -0.56150  1.0 1.0
   45    43   -54    51   2.19150 -1.0 2.0
   45    43    54    55   1.00000 -1.0 2.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    52   0.34400  1.0 1.0
   45    47    49    52   0.09450 -1.0 2.0
   45    47    49    52   0.11100  1.0 3.0
   45    47    49    63   0.34400  1.0 1.0
   45    47    49    63   0.09450 -1.0 2.0
   45    47    49    63   0.11100  1.0 3.0
   45    47   -51    54  -0.82050  1.0 1.0
   45    47   -51    54   0.00600 -1.0 2.0
   45    47   -51    54   0.04400  1.0 3.0
   46    45    47    48   0.33100  1.0 3.0
   46    45    47    49   0.00000  1.0 1.0
   46    45    47    51   0.00000  1.0 1.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    56  -0.95700  1.0 1.0
   47    49    52    56  -0.18200 -1.0 2.0
   47    49    52    56   0.29450  1.0 3.0
   47    49    52    58   0.56750  1.0 1.0
   47    49    52    58  -0.07550 -1.0 2.0
   47    49    52    58   0.20000  1.0 3.0
   47    49    63    62   0.62750  1.0 1.0
   47    49    63    62  -0.30950 -1.0 2.0
   47    49    63    62   0.27300  1.0 3.0
   47    49    63    64   0.15000  1.0 3.0
   47    49    63    65   0.56750  1.0 1.0
   47    49    63    65  -0.07550 -1.0 2.0
   47    49    63    65   0.20000  1.0 3.0
   47    51   -54    43   2.00000 -1.0 2.0
   47    51    54    55   3.00000 -1.0 2.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    49    63   0.15000  1.0 3.0
   48    47    51    54   0.08050  1.0 3.0
   49    47    51    54  -0.25900  1.0 1.0
   49    47    51    54  -0.47000 -1.0 2.0
   49    47    51    54   0.11750  1.0 3.0
   49    52    56    57   0.30150 -1.0 2.0
   49    52   -56    62   0.36750  1.0 3.0
   49    52    58    59   0.15000  1.0 3.0
   49    52    58    60   0.15000  1.0 3.0
   49    52    58    61   0.15000  1.0 3.0
   49    63    65    66   0.15000  1.0 3.0
   49    63    65    67   0.15000  1.0 3.0
   49    63    65    68   0.47050  1.0 1.0
   49    63    65    68   0.03900 -1.0 2.0
   49    63    65    68   0.20100  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    56  -0.11250  1.0 3.0
   50    49    52    58   0.15000  1.0 3.0
   50    49    63    62   0.23400  1.0 3.0
   50    49    63    64   0.15000  1.0 3.0
   50    49    63    65   0.15000  1.0 3.0
   52    49   -63    62   0.62750  1.0 1.0
   52    49   -63    62  -0.30950 -1.0 2.0
   52    49   -63    62   0.27300  1.0 3.0
   52    49    63    64   0.15000  1.0 3.0
   52    49    63    65   0.56750  1.0 1.0
   52    49    63    65  -0.07550 -1.0 2.0
   52    49    63    65   0.20000  1.0 3.0
   52    56   -62    63   1.63150  1.0 1.0
   52    56   -62    63   2.92000 -1.0 2.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    62   0.00000  1.0 1.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    61   0.15000  1.0 3.0
   56    52    58    59  -0.11250  1.0 3.0
   56    52    58    60  -0.11250  1.0 3.0
   56    52    58    61  -0.11250  1.0 3.0
   56    62   -63    49  -0.25900  1.0 1.0
   56    62   -63    49  -0.47000 -1.0 2.0
   56    62   -63    49   0.11750  1.0 3.0
   56    62    63    64   0.08050  1.0 3.0
   56    62    63    65  -0.25900  1.0 1.0
   56    62    63    65  -0.47000 -1.0 2.0
   56    62    63    65   0.11750  1.0 3.0
   57    56    62    63   3.00000 -1.0 2.0
   62    63    65    66   0.23400  1.0 3.0
   62    63    65    67   0.23400  1.0 3.0
   62    63    65    68  -0.26800  1.0 1.0
   62    63    65    68   0.69150 -1.0 2.0
   62    63    65    68  -0.48750  1.0 3.0
   63    49    52    53   0.15000  1.0 3.0
   63    49   -52    56  -0.95700  1.0 1.0
   63    49   -52    56  -0.18200 -1.0 2.0
   63    49   -52    56   0.29450  1.0 3.0
   63    49    52    58   0.56750  1.0 1.0
   63    49    52    58  -0.07550 -1.0 2.0
   63    49    52    58   0.20000  1.0 3.0
   63    65    68    41   0.07850  1.0 1.0
   63    65    68    41  -0.03950 -1.0 2.0
   63    65    68    41   0.67350  1.0 3.0
   63    65    68    44   0.02550  1.0 1.0
   63    65    68    44  -0.02600 -1.0 2.0
   63    65    68    44   1.20400  1.0 3.0
   63    65    68    69   0.56750  1.0 1.0
   63    65    68    69  -0.07550 -1.0 2.0
   63    65    68    69   0.20000  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    68   0.15000  1.0 3.0
   65    68    41    33   0.56750  1.0 1.0
   65    68    41    33  -0.07550 -1.0 2.0
   65    68    41    33   0.20000  1.0 3.0
   65    68    41    42   0.15000  1.0 3.0
   65    68   -41    44   0.02550  1.0 1.0
   65    68   -41    44  -0.02600 -1.0 2.0
   65    68   -41    44   1.20400  1.0 3.0
   65    68   -44    41   0.06250  1.0 1.0
   65    68   -44    41  -0.01100 -1.0 2.0
   65    68   -44    41   0.28050  1.0 3.0
   65    68    69    70   0.15000  1.0 3.0
   65    68    69    71   0.15000  1.0 3.0
   65    68    69    72   0.15000  1.0 3.0
   66    65    68    41   0.15000  1.0 3.0
   66    65    68    44   0.23400  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   67    65    68    41   0.15000  1.0 3.0
   67    65    68    44   0.23400  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   41    33    38    39  -0.26800  1.0 1.0
   41    33    38    39   0.69150 -1.0 2.0
   41    33    38    39  -0.48750  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.34400  1.0 1.0
   41    33    38    43   0.09450 -1.0 2.0
   41    33    38    43   0.11100  1.0 3.0
   41    68    69    70   0.15000  1.0 3.0
   41    68    69    71   0.15000  1.0 3.0
   41    68    69    72   0.15000  1.0 3.0
   42    41   -44    68   0.36800  1.0 3.0
   44    68   -41    33   0.02550  1.0 1.0
   44    68   -41    33  -0.02600 -1.0 2.0
   44    68   -41    33   1.20400  1.0 3.0
   44    68   -41    42   0.23400  1.0 3.0
   44    68    69    70   0.23400  1.0 3.0
   44    68    69    71   0.23400  1.0 3.0
   44    68    69    72   0.23400  1.0 3.0
   69    68    41    33   0.56750  1.0 1.0
   69    68    41    33  -0.07550 -1.0 2.0
   69    68    41    33   0.20000  1.0 3.0
   69    68    41    42   0.15000  1.0 3.0
   69    68   -41    44   0.02550  1.0 1.0
   69    68   -41    44  -0.02600 -1.0 2.0
   69    68   -41    44   1.20400  1.0 3.0
   69    68   -44    41   0.06250  1.0 1.0
   69    68   -44    41  -0.01100 -1.0 2.0
   69    68   -44    41   0.28050  1.0 3.0
   58    52    56    57   0.30150 -1.0 2.0
   58    52    56    62   0.36750  1.0 3.0
   51    47    49    50   0.23400  1.0 3.0
   51    47    49    52   0.62750  1.0 1.0
   51    47    49    52  -0.30950 -1.0 2.0
   51    47    49    52   0.27300  1.0 3.0
   51    47    49    63   0.62750  1.0 1.0
   51    47    49    63  -0.30950 -1.0 2.0
   51    47    49    63   0.27300  1.0 3.0
   54    43    45    46   7.00000 -1.0 2.0
   54    43   -45    47   7.00000 -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
   38    54    43    45   1.10000 -1.0 2.0
   47    46    45    43   1.10000 -1.0 2.0
   52    62    56    57  10.50000 -1.0 2.0
   43    51    54    55  10.50000 -1.0 2.0
END
