* LIGAND DATABASE FILE (OPLS2005)
*
001      72    72    129    181     367
    1     0 S   NP   _N1_     1    28.87689    95.11851   -20.08051
    2     1 S   H    _HN1     2     1.02832    37.19268   143.29779
    3     1 S   H    _H1_     3     1.02773    82.33155   -83.00029
    4     1 S   H    _H2_     4     1.02958    90.74932    25.40381
    5     1 S   CT   _CA1     5     1.50140   147.34736   157.15042
    6     5 S   HC   _HA1     6     1.09569   105.23655    50.33556
    7     5 S   CO3  _C1_     7     1.53842   112.27520   -69.90351
    8     7 S   O2Z  _O11     8     1.26370   114.97895   -43.90041
    9     7 S   O2Z  _O12     9     1.26230   114.95298   135.07305
   10     5 S   CT   _CB1    10     1.53084   107.39534   168.30804
   11    10 S   HC   HB11    11     1.09821   109.48887   -49.42214
   12    10 S   HC   HB12    12     1.09827   110.35139    67.19093
   13    10 S   CT   _CG1    13     1.52992   112.63433  -170.48597
   14    13 S   HC   HG11    14     1.09564   110.31302   -61.21369
   15    13 S   HC   HG12    15     1.09634   110.09937    57.95712
   16    13 S   C    _CD1    16     1.51829   112.22627   178.32380
   17    16 S   O    _OE1    17     1.22736   123.23542    -6.25658
   18    16 S   N    _N2_    18     1.38590   111.68467   173.86541
   19    18 S   H    _HN2    19     1.01612   118.92741     0.61294
   20    18 S   CT1  _CA2    20     1.46205   123.44683  -176.50374
   21    20 S   HC   _HA2    21     1.09722   109.39492   -11.14421
   22    20 S   C    _C2_    22     1.53348   108.58379  -127.10575
   23    22 S   O    _O2_    23     1.23027   122.15754  -146.48456
   24    20 S   CT   _CB2    32     1.53547   111.18113   110.74998
   25    24 S   HC   HB21    33     1.09437   109.40944    58.94310
   26    24 S   HC   HB22    34     1.09525   110.48346   176.91561
   27    22 S   N    _N3_    24     1.38478   113.42702    40.90570
   28    27 S   H    _HN3    25     1.01529   118.89033    -0.79155
   29    24 S   S    _SG2    35     1.83191   111.36023   -64.06814
   30    27 S   CT   _CA3    26     1.45448   123.47718   175.14272
   31    30 S   HC   HA31    27     1.09522   109.25820    23.93448
   32    30 S   HC   HA32    28     1.09496   107.11727   140.93105
   33    29 S   CT   _C10    36     1.87163   101.96822   142.15734
   34    30 S   CO3  _C3_    29     1.52919   113.09863   -99.56403
   35    34 S   O2Z  _O31    30     1.26403   115.39826   -44.98910
   36    34 S   O2Z  _O32    31     1.26355   114.99370   135.95255
   37    33 S   CO4  _C9_    37     1.54106   108.66606   -58.99393
   38    37 S   O    _O34    38     1.23201   122.91285   -26.29392
   39    33 S   CT   _C11    59     1.56197   107.78358  -176.88863
   40    39 S   HC   _H7_    60     1.09393   109.29868  -168.72647
   41    39 S   HC   _H8_    61     1.09842   109.78521   -54.42078
   42    37 S   CM   _C8_    39     1.49592   118.48154   156.16119
   43    39 S   CM   _C12    62     1.51126   115.88575    66.44262
   44    43 S   HC   _H9_    63     1.08950   114.47400   -65.16983
   45    42 S   CM   _C7_    40     1.34043   121.65678   -10.77196
   46    42 S   OS   _O35    54     1.38639   117.76883   173.87145
   47    43 S   CM   _C13    64     1.34704   128.17917   116.42357
   48    45 S   CO4  _C6_    41     1.48978   120.65882     2.13166
   49    48 S   O    _O33    42     1.22954   119.86298   161.53482
   50    45 S   OS   _O36    49     1.38476   120.79923   177.98113
   51    46 S   CT   _C16    55     1.42558   111.17457   -78.64003
   52    51 S   HC   _H16    56     1.09395   107.87936  -176.78935
   53    51 S   HC   _H17    57     1.09431   111.52357    64.80795
   54    51 S   HC   _H18    58     1.09528   110.88259   -58.64920
   55    47 S   CT   _C14    65     1.50663   120.20844   179.09259
   56    55 S   HC   _H10    66     1.09495   110.19910   119.72099
   57    55 S   HC   _H11    67     1.09493   110.21435  -120.50296
   58    55 S   HC   _H12    68     1.09511   112.47527    -0.37168
   59    47 S   CT   _C15    69     1.50226   125.64293    -0.99308
   60    59 S   HC   _H13    70     1.09485   110.00200   111.62940
   61    59 S   HC   _H14    71     1.09524   110.10821  -129.30787
   62    59 S   HC   _H15    72     1.09157   113.71059    -9.56481
   63    33 S   CT   _C5_    43     1.55170   109.76985    61.27557
   64    63 S   HC   _H3_    44     1.09881   110.05450   -56.87562
   65    50 S   CT   _C17    50     1.42610   111.08315   111.26374
   66    65 S   HC   _H19    51     1.09399   107.87459  -174.38476
   67    65 S   HC   _H20    52     1.09443   111.43386    67.24182
   68    65 S   HC   _H21    53     1.09566   111.01492   -56.10645
   69    63 S   CT   _C4_    45     1.53449   115.10580    64.03450
   70    69 S   HC   _H4_    46     1.09491   111.88262    65.32443
   71    69 S   HC   _H5_    47     1.09327   112.18836   -56.86520
   72    69 S   HC   _H6_    48     1.09644   110.28703  -175.95572
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  19   2   1   1  14   5  12   5   4  11  11   3  12   6   8   9
   4   5   3   2   1   1   7   3   2   1   3   2   1   1   5   4
   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    63    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    48    63    64    69    39    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    45    48    49    63    64    69    70    71    72    46    39    40    41    43    44    47  
   35    36  
   36  
    0  
   38    42    45    48    63    64    69    50    46    51    39    40    41    43  
   42    45    63    46    39  
   40    41    43    44    47    55    59    42    48    63    64    69  
   41    43    44    47    63  
   43    44    47    63  
   45    48    49    63    50    65    46    51    52    53    54  
   44    47    55    56    57    58    59    60    61    62    63  
   47    55    59  
   48    49    63    64    69    50    65    66    67    68    46    51  
   51    52    53    54    48    50  
   55    56    57    58    59    60    61    62  
   49    63    64    69    70    71    72    50    65  
   63    64    69    50  
   65    66    67    68    63  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59  
   59  
   60    61    62  
   61    62  
   62  
    0  
   64    69    70    71    72  
   69    70    71    72  
   66    67    68  
   67    68  
   68  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    63   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   320.000  1.462
   42    45   549.000  1.340
   42    46   440.000  1.360
   45    48   320.000  1.462
   45    50   440.000  1.360
   48    49   570.000  1.229
   48    63   317.000  1.522
   63    64   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   50    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   46    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   317.000  1.510
   43    44   340.000  1.080
   43    47   549.000  1.340
   47    55   317.000  1.510
   47    59   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    63    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  118.62400
   33    63    48    63.00000  111.10000
   33    63    64    37.50000  110.70000
   33    63    69    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    70.00000  112.02700
   37    42    45    65.00000  118.96000
   37    42    46    85.00000  116.28000
   42    37    38    80.00000  123.72100
   42    45    48    65.00000  118.96000
   42    45    50    80.00000  120.01400
   42    46    51    90.00000  111.18400
   45    48    49    80.00000  123.72100
   45    48    63    65.00000  118.62400
   45    50    65    90.00000  111.18400
   48    63    64    35.00000  109.50000
   48    63    69    63.00000  111.10000
   63    33    37    63.00000  111.10000
   63    48    49    80.00000  120.40000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    72    37.50000  110.70000
   69    63    64    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   50    45    48    85.00000  116.28000
   50    65    66    35.00000  109.50000
   50    65    67    35.00000  109.50000
   50    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   46    42    45    80.00000  120.01400
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    63    58.35000  112.70000
   39    43    44    35.00000  117.00000
   39    43    47    70.00000  124.00000
   41    39    40    33.00000  107.80000
   43    39    40    35.00000  109.50000
   43    39    41    35.00000  109.50000
   43    47    55    70.00000  124.00000
   43    47    59    70.00000  124.00000
   47    43    44    35.00000  120.00000
   47    55    56    35.00000  109.50000
   47    55    57    35.00000  109.50000
   47    55    58    35.00000  109.50000
   47    59    60    35.00000  109.50000
   47    59    61    35.00000  109.50000
   47    59    62    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    47    55    65.00000  117.92700
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    63   0.01700  1.0 1.0
   24    29    33    63  -0.23550 -1.0 2.0
   24    29    33    63   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    63    48   0.56750  1.0 1.0
   29    33    63    48  -0.07550 -1.0 2.0
   29    33    63    48   0.20000  1.0 3.0
   29    33    63    64   0.15000  1.0 3.0
   29    33    63    69   0.44750  1.0 1.0
   29    33    63    69  -0.17800 -1.0 2.0
   29    33    63    69   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37    42    45  -0.33500  1.0 1.0
   33    37    42    45   1.06600 -1.0 2.0
   33    37    42    45  -0.14000  1.0 3.0
   33    37    42    46   0.32450 -1.0 2.0
   33    37    42    46   0.17400  1.0 3.0
   33    63    69    70   0.15000  1.0 3.0
   33    63    69    71   0.15000  1.0 3.0
   33    63    69    72   0.15000  1.0 3.0
   33    39    43    44   0.00000  1.0 1.0
   33    39    43    47   0.09850  1.0 1.0
   33    39    43    47   0.15250 -1.0 2.0
   33    39    43    47  -0.50650  1.0 3.0
   37    33    63    48   0.11950  1.0 1.0
   37    33    63    48   0.20300 -1.0 2.0
   37    33    63    48  -0.70800  1.0 3.0
   37    33    63    64  -0.11250  1.0 3.0
   37    33    63    69  -0.95700  1.0 1.0
   37    33    63    69  -0.18200 -1.0 2.0
   37    33    63    69   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    43  -0.98800  1.0 1.0
   37    33    39    43   0.48800 -1.0 2.0
   37    33    39    43   0.76800  1.0 3.0
   37    42   -45    48   7.00000 -1.0 2.0
   37    42    45    50   7.00000 -1.0 2.0
   37    42    46    51   0.15100 -1.0 2.0
   38    37    42    45   1.00000 -1.0 2.0
   38    37    42    46  -0.11900  1.0 1.0
   38    37    42    46   0.76850 -1.0 2.0
   38    37    42    46   0.14100  1.0 3.0
   42    45    48    49   1.00000 -1.0 2.0
   42    45    48    63  -0.33500  1.0 1.0
   42    45    48    63   1.06600 -1.0 2.0
   42    45    48    63  -0.14000  1.0 3.0
   42    45    50    65  -2.26850  1.0 1.0
   42    45    50    65   3.39050 -1.0 2.0
   42    46    51    52   0.08050  1.0 3.0
   42    46    51    53   0.08050  1.0 3.0
   42    46    51    54   0.08050  1.0 3.0
   45    42    46    51  -2.26850  1.0 1.0
   45    42    46    51   3.39050 -1.0 2.0
   45    48   -63    33   0.65300  1.0 1.0
   45    48   -63    33  -0.03850 -1.0 2.0
   45    48   -63    33   0.33900  1.0 3.0
   45    48    63    64   0.00000  1.0 1.0
   45    48    63    69   0.65300  1.0 1.0
   45    48    63    69  -0.03850 -1.0 2.0
   45    48    63    69   0.33900  1.0 3.0
   45    50    65    66   0.08050  1.0 3.0
   45    50    65    67   0.08050  1.0 3.0
   45    50    65    68   0.08050  1.0 3.0
   48    45    50    65   0.15100 -1.0 2.0
   48    63    69    70  -0.11250  1.0 3.0
   48    63    69    71  -0.11250  1.0 3.0
   48    63    69    72  -0.11250  1.0 3.0
   49    48    63    33   0.30150 -1.0 2.0
   49    48    63    64   0.00000  1.0 1.0
   49    48    63    69   0.30150 -1.0 2.0
   63    33    37    38   0.30150 -1.0 2.0
   63    33   -37    42   0.65300  1.0 1.0
   63    33   -37    42  -0.03850 -1.0 2.0
   63    33   -37    42   0.33900  1.0 3.0
   63    33    39    40   0.15000  1.0 3.0
   63    33    39    41   0.15000  1.0 3.0
   63    33    39    43   0.34400  1.0 1.0
   63    33    39    43   0.09450 -1.0 2.0
   63    33    39    43   0.11100  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    72   0.15000  1.0 3.0
   50    45    48    49  -0.11900  1.0 1.0
   50    45    48    49   0.76850 -1.0 2.0
   50    45    48    49   0.14100  1.0 3.0
   50    45    48    63   0.32450 -1.0 2.0
   50    45    48    63   0.17400  1.0 3.0
   46    42    45    48   7.00000 -1.0 2.0
   46    42    45    50   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.65300  1.0 1.0
   39    33    37    42  -0.03850 -1.0 2.0
   39    33    37    42   0.33900  1.0 3.0
   39    33    63    48  -0.95700  1.0 1.0
   39    33    63    48  -0.18200 -1.0 2.0
   39    33    63    48   0.29450  1.0 3.0
   39    33    63    64   0.15000  1.0 3.0
   39    33    63    69   0.56750  1.0 1.0
   39    33    63    69  -0.07550 -1.0 2.0
   39    33    63    69   0.20000  1.0 3.0
   39    43    47    55   7.00000 -1.0 2.0
   39    43    47    59   7.00000 -1.0 2.0
   40    39    43    44   0.33100  1.0 3.0
   40    39    43    47   0.00000  1.0 1.0
   41    39    43    44   0.33100  1.0 3.0
   41    39    43    47   0.00000  1.0 1.0
   43    47    55    56   0.00000  1.0 1.0
   43    47    55    57   0.00000  1.0 1.0
   43    47    55    58   0.00000  1.0 1.0
   43    47    59    60   0.00000  1.0 1.0
   43    47    59    61   0.00000  1.0 1.0
   43    47    59    62   0.00000  1.0 1.0
   44    43    47    55   7.00000 -1.0 2.0
   44    43    47    59   7.00000 -1.0 2.0
   55    47    59    60   0.34800  1.0 3.0
   55    47    59    61   0.34800  1.0 3.0
   55    47    59    62   0.34800  1.0 3.0
   59    47    55    56   0.34800  1.0 3.0
   59    47    55    57   0.34800  1.0 3.0
   59    47    55    58   0.34800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   37    46    42    45   1.10000 -1.0 2.0
   48    50    45    42   1.10000 -1.0 2.0
   45    63    48    49  10.50000 -1.0 2.0
   39    44    43    47  15.00000 -1.0 2.0
   55    59    47    43  15.00000 -1.0 2.0
END
