* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    140    223     417
    1     0 S   NP   _N1_     1    28.71304    96.49578   -23.05505
    2     1 S   H    _HN1     2     1.02786   103.15711   -93.67048
    3     1 S   H    _H1_     3     1.02949    72.33879    11.70838
    4     1 S   H    _H2_     4     1.02827    38.89876   164.04120
    5     1 S   CT   _CA1     5     1.50123   140.66675   112.56313
    6     5 S   HC   _HA1     6     1.09574   105.18322    90.94823
    7     5 S   CO3  _C1_     7     1.53780   112.44606   -29.26699
    8     7 S   O2Z  _O11     8     1.26374   115.00105   -42.70327
    9     7 S   O2Z  _O12     9     1.26238   114.94329   136.36123
   10     5 S   CT   _CB1    10     1.53071   107.40859  -151.08609
   11    10 S   HC   HB11    11     1.09836   109.34786   -49.66939
   12    10 S   HC   HB12    12     1.09812   110.46125    66.93059
   13    10 S   CT   _CG1    13     1.52998   112.62205  -170.63729
   14    13 S   HC   HG11    14     1.09580   110.65439   -66.23166
   15    13 S   HC   HG12    15     1.09671   109.76574    53.00750
   16    13 S   C    _CD1    16     1.51807   112.15931   173.45039
   17    16 S   O    _OE1    17     1.22741   123.26249     8.29692
   18    16 S   N    _N2_    18     1.38655   111.72141  -171.76687
   19    18 S   H    _HN2    19     1.01579   118.94889     1.43586
   20    18 S   CT1  _CA2    20     1.46203   123.37491   177.20747
   21    20 S   HC   _HA2    21     1.09740   109.33800     4.14142
   22    20 S   C    _C2_    22     1.53604   108.68118  -111.32342
   23    22 S   O    _O2_    23     1.23069   122.25628  -148.22290
   24    20 S   CT   _CB2    32     1.53489   111.69302   126.12863
   25    24 S   HC   HB21    33     1.09529   109.57100    56.26565
   26    24 S   HC   HB22    34     1.09338   109.67863   175.11024
   27    22 S   N    _N3_    24     1.38319   113.76658    39.23997
   28    27 S   H    _HN3    25     1.01573   119.59620    -3.31582
   29    24 S   S    _SG2    35     1.83015   111.17317   -64.10834
   30    27 S   CT   _CA3    26     1.45284   123.23267   177.14700
   31    30 S   HC   HA31    27     1.09549   107.50911   -64.65696
   32    30 S   HC   HA32    28     1.09556   107.98952    51.78666
   33    29 S   CT   _C9_    36     1.87630   102.66686  -170.85739
   34    30 S   CO3  _C3_    29     1.52966   114.07099   173.78331
   35    34 S   O2Z  _O31    30     1.26379   116.07097    -0.67231
   36    34 S   O2Z  _O32    31     1.26428   114.41188   179.39026
   37    33 S   CT   _C8_    37     1.55650   107.52080    76.60380
   38    37 S   HC   _H13    38     1.09689   110.18710   -40.04810
   39    37 S   HC   _H14    39     1.09900   108.82053  -153.31060
   40    33 S   CT   _C10    59     1.55256   105.84149  -162.29143
   41    40 S   HC   _H5_    60     1.10166   108.81098   -41.52010
   42    33 S   CT   _C18    69     1.54133   110.50904   -41.74917
   43    42 S   HC   _H19    70     1.09485   112.61581   -50.41414
   44    42 S   HC   _H20    71     1.09579   110.90979  -170.63498
   45    42 S   HC   _H21    72     1.09570   111.84213    71.02359
   46    37 S   CT   _C7_    40     1.54102   117.43101    83.61618
   47    46 S   HC   _H11    41     1.09751   107.38600  -157.98650
   48    46 S   HC   _H12    42     1.09501   111.54650   -41.45963
   49    46 S   CT   _C6_    43     1.52558   111.00514    84.20938
   50    49 S   HC   _H4_    44     1.10223   107.80881    43.01198
   51    49 S   CT   _C5_    45     1.52537   118.14628   161.83204
   52    51 S   HC   _H3_    46     1.09559   109.64986   -82.35529
   53    51 S   CO4  _C13    47     1.51454    99.93324   163.06517
   54    53 S   O    _O34    48     1.22099   125.75716   163.72221
   55    51 S   CT   _C4_    65     1.52001   116.21835    43.66045
   56    55 S   HC   _H8_    66     1.09468   112.28191    56.42344
   57    55 S   HC   _H9_    67     1.09429   111.06638   -64.93581
   58    55 S   HC   _H10    68     1.09563   110.32674   175.64086
   59    53 S   OS   _O33    49     1.37456   109.77292   -16.32327
   60    49 S   CT   _C12    50     1.52035   115.62732   -77.97817
   61    60 S   HC   _H7_    51     1.09831   112.27083   -59.11953
   62    60 S   CT   _C11    52     1.53545   112.06415    64.59195
   63    62 S   HC   _H6_    53     1.09746   109.87066    46.73041
   64    62 S   CM   _C14    54     1.51428   116.32292   168.13369
   65    64 S   CM   _C15    55     1.33665   114.62613   130.81728
   66    65 S   HC   _H15    56     1.07631   128.68732   176.36401
   67    64 S   CT   _C17    61     1.49193   121.79775   -54.68504
   68    67 S   HC   _H16    62     1.09454   110.51120   -46.34966
   69    67 S   HC   _H17    63     1.09549   111.55550  -165.82947
   70    67 S   HC   _H18    64     1.09370   110.80489    74.54279
   71    65 S   CO4  _C16    57     1.46650   106.44845    -2.76130
   72    71 S   O    _O35    58     1.22145   122.08471   174.84482
  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  13   5   4   3
  20   2   1   1  17   7   6  18   8   6   2   1   1  12   5   4
  15   8  11   8   9   3   5   2   1   1   5   7   3  10   4   8
   7   3   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    62    71    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    49    60    62    63    64    65    71    72    40    41    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    49    50    51    60    62    71    40    41    42    43    44    45  
   39    46    47    48    49    40    42  
   46    47    48    49    40    42  
   41    67    42    43    44    45    46    49    59    60    61    62    63    64    65    66    71    72  
   42    60    62    63    64    65    71    72  
   43    44    45    46    62    71  
   44    45  
   45  
    0  
   47    48    49    50    51    52    53    59    60    61    62    55  
   48    49    50    51    60  
   49    50    51    60  
   50    51    52    53    54    59    60    61    62    63    64    55    56    57    58  
   51    52    53    59    60    61    62    55  
   52    53    54    59    60    61    62    55    56    57    58  
   53    54    59    60    55    56    57    58  
   54    59    60    61    62    55    56    57    58  
   59    60    55  
   56    57    58    59    60  
   57    58  
   58  
    0  
   60    61    62    63    64  
   61    62    63    64    65    71    67  
   62    63    64  
   63    64    65    66    71    72    67    68    69    70  
   64    65    71    67  
   65    66    71    72    67    68    69    70  
   66    71    72    67    68    69    70  
   71    72    67  
   68    69    70    71  
   69    70  
   70  
    0  
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    60   268.000  1.529
   51    52   340.000  1.090
   51    53   317.000  1.522
   51    55   268.000  1.529
   53    54   570.000  1.229
   53    59   214.000  1.327
   59    60   320.000  1.410
   60    61   340.000  1.090
   60    62   268.000  1.529
   62    63   340.000  1.090
   62    64   317.000  1.510
   62    40   268.000  1.529
   64    65   549.000  1.340
   64    67   317.000  1.510
   65    66   340.000  1.080
   65    71   320.000  1.462
   71    72   570.000  1.229
   71    40   317.000  1.522
   40    41   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    62    58.35000  112.70000
   33    40    71    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    49    58.35000  112.70000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   46    49    60    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    53    63.00000  111.10000
   49    51    55    58.35000  112.70000
   49    60    59    50.00000  109.50000
   49    60    61    37.50000  110.70000
   49    60    62    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    53    54    80.00000  120.40000
   51    53    59    81.00000  111.40000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   53    51    52    35.00000  109.50000
   53    59    60    83.00000  116.90000
   59    53    54    83.00000  123.40000
   59    60    61    35.00000  109.50000
   59    60    62    50.00000  109.50000
   60    49    50    37.50000  110.70000
   60    49    51    58.35000  112.70000
   60    62    63    37.50000  110.70000
   60    62    64    70.00000  112.02700
   60    62    40    58.35000  112.70000
   62    60    61    37.50000  110.70000
   62    64    65    70.00000  124.00000
   62    64    67    65.00000  117.92700
   62    40    71    63.00000  111.10000
   62    40    41    37.50000  110.70000
   64    62    63    35.00000  109.50000
   64    65    66    35.00000  120.00000
   64    65    71    65.00000  118.96000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    80.00000  123.72100
   65    71    40    65.00000  118.62400
   71    65    66    40.00000  117.72500
   71    40    41    35.00000  109.50000
   40    33    37    58.35000  112.70000
   40    62    63    37.50000  110.70000
   40    62    64    70.00000  112.02700
   40    71    72    80.00000  120.40000
   67    64    65    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    63.00000  111.10000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    62   0.44750  1.0 1.0
   29    33    40    62  -0.17800 -1.0 2.0
   29    33    40    62   0.20200  1.0 3.0
   29    33    40    71   0.56750  1.0 1.0
   29    33    40    71  -0.07550 -1.0 2.0
   29    33    40    71   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    49   0.56750  1.0 1.0
   33    37    46    49  -0.07550 -1.0 2.0
   33    37    46    49   0.20000  1.0 3.0
   37    33    40    62   0.56750  1.0 1.0
   37    33    40    62  -0.07550 -1.0 2.0
   37    33    40    62   0.20000  1.0 3.0
   37    33    40    71  -0.95700  1.0 1.0
   37    33    40    71  -0.18200 -1.0 2.0
   37    33    40    71   0.29450  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    49    50   0.15000  1.0 3.0
   37    46    49    51   0.56750  1.0 1.0
   37    46    49    51  -0.07550 -1.0 2.0
   37    46    49    51   0.20000  1.0 3.0
   37    46    49    60   0.56750  1.0 1.0
   37    46    49    60  -0.07550 -1.0 2.0
   37    46    49    60   0.20000  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    49   0.15000  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    49   0.15000  1.0 3.0
   46    49    51    52   0.15000  1.0 3.0
   46    49    51    53  -0.95700  1.0 1.0
   46    49    51    53  -0.18200 -1.0 2.0
   46    49    51    53   0.29450  1.0 3.0
   46    49    51    55   0.56750  1.0 1.0
   46    49    51    55  -0.07550 -1.0 2.0
   46    49    51    55   0.20000  1.0 3.0
   46    49    60    59   0.62750  1.0 1.0
   46    49    60    59  -0.30950 -1.0 2.0
   46    49    60    59   0.27300  1.0 3.0
   46    49    60    61   0.15000  1.0 3.0
   46    49    60    62   0.56750  1.0 1.0
   46    49    60    62  -0.07550 -1.0 2.0
   46    49    60    62   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    60   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    60   0.15000  1.0 3.0
   49    51    53    54   0.30150 -1.0 2.0
   49    51   -53    59   0.36750  1.0 3.0
   49    51    55    56   0.15000  1.0 3.0
   49    51    55    57   0.15000  1.0 3.0
   49    51    55    58   0.15000  1.0 3.0
   49    60    62    63   0.15000  1.0 3.0
   49    60    62    64   0.34400  1.0 1.0
   49    60    62    64   0.09450 -1.0 2.0
   49    60    62    64   0.11100  1.0 3.0
   49    60    62    40   0.56750  1.0 1.0
   49    60    62    40  -0.07550 -1.0 2.0
   49    60    62    40   0.20000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53  -0.11250  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   50    49    60    59   0.23400  1.0 3.0
   50    49    60    61   0.15000  1.0 3.0
   50    49    60    62   0.15000  1.0 3.0
   51    49   -60    59   0.62750  1.0 1.0
   51    49   -60    59  -0.30950 -1.0 2.0
   51    49   -60    59   0.27300  1.0 3.0
   51    49    60    61   0.15000  1.0 3.0
   51    49    60    62   0.56750  1.0 1.0
   51    49    60    62  -0.07550 -1.0 2.0
   51    49    60    62   0.20000  1.0 3.0
   51    53   -59    60   1.63150  1.0 1.0
   51    53   -59    60   2.92000 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    59   0.00000  1.0 1.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   53    51    55    56  -0.11250  1.0 3.0
   53    51    55    57  -0.11250  1.0 3.0
   53    51    55    58  -0.11250  1.0 3.0
   53    59   -60    49  -0.25900  1.0 1.0
   53    59   -60    49  -0.47000 -1.0 2.0
   53    59   -60    49   0.11750  1.0 3.0
   53    59    60    61   0.08050  1.0 3.0
   53    59    60    62  -0.25900  1.0 1.0
   53    59    60    62  -0.47000 -1.0 2.0
   53    59    60    62   0.11750  1.0 3.0
   54    53    59    60   3.00000 -1.0 2.0
   59    60    62    63   0.23400  1.0 3.0
   59    60    62    64   0.61850  1.0 1.0
   59    60    62    64  -0.22750 -1.0 2.0
   59    60    62    64   0.15300  1.0 3.0
   59    60    62    40   0.62750  1.0 1.0
   59    60    62    40  -0.30950 -1.0 2.0
   59    60    62    40   0.27300  1.0 3.0
   60    49    51    52   0.15000  1.0 3.0
   60    49   -51    53  -0.95700  1.0 1.0
   60    49   -51    53  -0.18200 -1.0 2.0
   60    49   -51    53   0.29450  1.0 3.0
   60    49    51    55   0.56750  1.0 1.0
   60    49    51    55  -0.07550 -1.0 2.0
   60    49    51    55   0.20000  1.0 3.0
   60    62    64    65   0.09850  1.0 1.0
   60    62    64    65   0.15250 -1.0 2.0
   60    62    64    65  -0.50650  1.0 3.0
   60    62    64    67   0.46850  1.0 1.0
   60    62    64    67   0.08550 -1.0 2.0
   60    62    64    67   0.09800  1.0 3.0
   60    62    40    33   0.56750  1.0 1.0
   60    62    40    33  -0.07550 -1.0 2.0
   60    62    40    33   0.20000  1.0 3.0
   60    62    40    71  -0.95700  1.0 1.0
   60    62    40    71  -0.18200 -1.0 2.0
   60    62    40    71   0.29450  1.0 3.0
   60    62    40    41   0.15000  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    40   0.15000  1.0 3.0
   62    64    65    66   7.00000 -1.0 2.0
   62    64   -65    71   7.00000 -1.0 2.0
   62    64    67    68   0.34800  1.0 3.0
   62    64    67    69   0.34800  1.0 3.0
   62    64    67    70   0.34800  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    67   0.34800  1.0 3.0
   63    62    40    33   0.15000  1.0 3.0
   63    62    40    71  -0.11250  1.0 3.0
   63    62    40    41   0.15000  1.0 3.0
   64    62    40    33   0.34400  1.0 1.0
   64    62    40    33   0.09450 -1.0 2.0
   64    62    40    33   0.11100  1.0 3.0
   64    62   -40    71  -0.98800  1.0 1.0
   64    62   -40    71   0.48800 -1.0 2.0
   64    62   -40    71   0.76800  1.0 3.0
   64    62    40    41   0.15000  1.0 3.0
   64    65    71    72   1.00000 -1.0 2.0
   64    65   -71    40  -0.33500  1.0 1.0
   64    65   -71    40   1.06600 -1.0 2.0
   64    65   -71    40  -0.14000  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    40    33   0.65300  1.0 1.0
   65    71    40    33  -0.03850 -1.0 2.0
   65    71    40    33   0.33900  1.0 3.0
   65    71   -40    62   0.65300  1.0 1.0
   65    71   -40    62  -0.03850 -1.0 2.0
   65    71   -40    62   0.33900  1.0 3.0
   65    71    40    41   0.00000  1.0 1.0
   66    65    71    72   0.00000  1.0 1.0
   66    65    71    40   0.04550  1.0 1.0
   66    65    71    40   0.83000 -1.0 2.0
   66    65    71    40  -0.04000  1.0 3.0
   72    71    40    33   0.30150 -1.0 2.0
   72    71    40    62   0.30150 -1.0 2.0
   72    71    40    41   0.00000  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   40    62   -64    65   0.09850  1.0 1.0
   40    62   -64    65   0.15250 -1.0 2.0
   40    62   -64    65  -0.50650  1.0 3.0
   40    62    64    67   0.46850  1.0 1.0
   40    62    64    67   0.08550 -1.0 2.0
   40    62    64    67   0.09800  1.0 3.0
   67    64    65    66   7.00000 -1.0 2.0
   67    64    65    71   7.00000 -1.0 2.0
   55    51    53    54   0.30150 -1.0 2.0
   55    51    53    59   0.36750  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    62   0.56750  1.0 1.0
   42    33    40    62  -0.07550 -1.0 2.0
   42    33    40    62   0.20000  1.0 3.0
   42    33    40    71  -0.95700  1.0 1.0
   42    33    40    71  -0.18200 -1.0 2.0
   42    33    40    71   0.29450  1.0 3.0
   42    33    40    41   0.15000  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
   51    59    53    54  10.50000 -1.0 2.0
   62    67    64    65   1.10000 -1.0 2.0
   71    66    65    64   1.10000 -1.0 2.0
   65    40    71    72  10.50000 -1.0 2.0
END
