* LIGAND DATABASE FILE (OPLS2005)
*
001      70    72    134    218     401
    1     0 S   NP   _N1_     1    29.25066    91.56494   -21.29587
    2     1 S   H    _HN1     2     1.02779    86.76806   -91.73623
    3     1 S   H    _H1_     3     1.02967   106.72044    16.45990
    4     1 S   H    _H2_     4     1.02850    22.85820   110.72006
    5     1 S   CT   _CA1     5     1.50155   129.04040   152.00392
    6     5 S   HC   _HA1     6     1.09563   105.35806    43.39726
    7     5 S   CO3  _C1_     7     1.53813   112.17091   -76.99752
    8     7 S   O2Z  _O11     8     1.26353   114.99725   -46.65147
    9     7 S   O2Z  _O12     9     1.26221   114.90593   132.59182
   10     5 S   CT   _CB1    10     1.53030   107.36768   161.36954
   11    10 S   HC   HB11    11     1.09822   109.50577   -50.93531
   12    10 S   HC   HB12    12     1.09719   110.14758    65.44034
   13    10 S   CT   _CG1    13     1.53083   112.98827  -172.28011
   14    13 S   HC   HG11    14     1.09577   110.40261   -58.17839
   15    13 S   HC   HG12    15     1.09596   110.26504    61.24441
   16    13 S   C    _CD1    16     1.51763   111.74957  -178.41193
   17    16 S   O    _OE1    17     1.22760   123.01741   -11.66515
   18    16 S   N    _N2_    18     1.38602   112.06708   168.32330
   19    18 S   H    _HN2    19     1.01579   119.25247     4.07756
   20    18 S   CT1  _CA2    20     1.46124   123.03564  -175.63412
   21    20 S   HC   _HA2    21     1.09576   109.08895    -2.14265
   22    20 S   C    _C2_    22     1.53412   109.34804  -117.51932
   23    22 S   O    _O2_    23     1.23053   121.97379  -148.24537
   24    20 S   CT   _CB2    32     1.53608   111.75576   119.61473
   25    24 S   HC   HB21    33     1.09661   109.44695    67.71957
   26    24 S   HC   HB22    34     1.09575   110.85801  -175.05529
   27    22 S   N    _N3_    24     1.38425   113.65873    39.31426
   28    27 S   H    _HN3    25     1.01489   119.00498    -0.58617
   29    24 S   S    _SG2    35     1.82886   114.74189   -51.53229
   30    27 S   CT   _CA3    26     1.45451   123.38361   174.77576
   31    30 S   HC   HA31    27     1.09528   109.15267    26.06703
   32    30 S   HC   HA32    28     1.09492   107.14036   143.08926
   33    29 S   CT   _C18    36     1.82392   100.34512   -70.25395
   34    33 S   HC   _H18    37     1.09543   107.95724   -75.49672
   35    33 S   HC   _H19    38     1.09301   110.44321    41.60350
   36    30 S   CO3  _C3_    29     1.52947   113.19422   -97.32844
   37    36 S   O2Z  _O31    30     1.26401   115.46357   -42.45133
   38    36 S   O2Z  _O32    31     1.26365   114.93771   138.47385
   39    33 S   CT   _C16    39     1.53159   110.20412   163.94094
   40    39 S   HC   _H6_    40     1.09671   111.13433    53.88216
   41    39 S   CO4  _C17    41     1.51336   109.40208   173.48449
   42    41 S   O    _O34    42     1.22155   125.40221   -73.33674
   43    41 S   OS   _O35    43     1.36948   110.32826   106.14884
   44    43 S   CT   _C7_    44     1.43049   108.94767    -7.85533
   45    44 S   HC   _H3_    45     1.09720   106.00521   -88.85021
   46    44 S   CT   _C6_    46     1.52789   112.27497   154.16440
   47    46 S   HC   _H10    47     1.09818   109.10199    47.23478
   48    46 S   HC   _H11    48     1.09912   107.38931   162.23186
   49    39 S   CT   _C8_    62     1.53235   114.56021   -73.53613
   50    49 S   HC   _H4_    63     1.09512   113.02502    30.79586
   51    46 S   CT   _C5_    49     1.54716   115.24348   -76.59598
   52    51 S   CM   _C15    50     1.52163   109.06075  -168.75059
   53    52 S   HC   _H17    51     1.08788   117.77026   -36.36585
   54    51 S   CT   _C4_    67     1.54450   110.41638    74.20771
   55    54 S   HC   _H7_    68     1.09244   112.80062   -63.79512
   56    54 S   HC   _H8_    69     1.09633   111.87565   175.67301
   57    54 S   HC   _H9_    70     1.09700   110.92686    56.33589
   58    52 S   CM   _C14    52     1.34008   123.89764   145.12537
   59    58 S   HC   _H16    53     1.08420   121.17896   178.92371
   60    58 S   CO4  _C13    54     1.48571   121.55478     2.69399
   61    60 S   O    _O33    55     1.22615   120.23016   173.36700
   62    60 S   CM   _C11    56     1.49758   116.39043    -6.50041
   63    51 S   CT   _C10    57     1.55585   108.47508   -50.59624
   64    63 S   HC   _H5_    58     1.10177   107.66615   -56.39664
   65    62 S   CM   _C12    64     1.34064   117.24369   159.15560
   66    65 S   HC   _H14    65     1.08404   121.86268   179.62466
   67    65 S   HC   _H15    66     1.08570   121.99091    -0.62150
   68    63 S   CT   _C9_    59     1.53657   111.26567    58.66905
   69    68 S   HC   _H12    60     1.09661   110.40569    64.93994
   70    68 S   HC   _H13    61     1.09807   110.01676  -178.52873
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  13   7  16   6   5
   8   4  16  13   5   8   3   2   1   6   3   8   3   8   7   4
   3   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    68    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    63    68    69    70    49    50  
   41    42    43    44    68    49    50  
   42    43    44    45    46    68    49    50  
   43    44    49  
   44    45    46    47    48    51    68    49    50  
   45    46    47    48    51    52    63    68    69    70    49    50    54  
   46    47    48    51    68    49    50  
   47    48    51    52    53    58    62    63    64    68    49    50    54    55    56    57  
   48    51    52    63    49    54  
   51    52    63    49    54  
   50    51    62    63    64    68    69    70  
   63    68    69    70  
   52    53    58    59    60    62    63    64    68    69    70    65    54    55    56    57  
   53    58    59    60    61    62    63    64    68    54    55    56    57  
   58    59    60    63    54  
   55    56    57    58    62    63    64    68  
   56    57    63  
   57    63  
   63  
   59    60    61    62    63    65  
   60    61    62  
   61    62    63    64    68    65    66    67  
   62    63    65  
   63    64    68    69    70    65    66    67  
   64    68    69    70    65    66    67  
   68    69    70    65  
   66    67    68  
   67  
    0  
   69    70  
   70  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   317.000  1.510
   51    63   268.000  1.529
   51    54   268.000  1.529
   52    53   340.000  1.080
   52    58   549.000  1.340
   58    59   340.000  1.080
   58    60   320.000  1.462
   60    61   570.000  1.229
   60    62   320.000  1.462
   62    63   317.000  1.510
   62    65   549.000  1.340
   63    64   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    49   268.000  1.529
   49    50   340.000  1.090
   65    66   340.000  1.080
   65    67   340.000  1.080
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    68    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    68    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    70.00000  112.02700
   46    51    63    58.35000  112.70000
   46    51    54    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    52    53    35.00000  117.00000
   51    52    58    70.00000  124.00000
   51    63    62    70.00000  112.02700
   51    63    64    37.50000  110.70000
   51    63    68    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   52    58    59    35.00000  120.00000
   52    58    60    65.00000  118.96000
   58    52    53    35.00000  120.00000
   58    60    61    80.00000  123.72100
   58    60    62    65.00000  118.65900
   60    58    59    40.00000  117.72500
   60    62    63    65.00000  116.34900
   60    62    65    65.00000  118.96000
   62    60    61    80.00000  123.72100
   62    63    64    35.00000  109.50000
   62    63    68    70.00000  112.02700
   62    65    66    35.00000  120.00000
   62    65    67    35.00000  120.00000
   63    51    52    70.00000  112.02700
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    49    58.35000  112.70000
   68    63    64    37.50000  110.70000
   68    49    50    37.50000  110.70000
   70    68    69    33.00000  107.80000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    68    69    37.50000  110.70000
   49    68    70    37.50000  110.70000
   65    62    63    70.00000  124.00000
   67    65    66    35.00000  117.00000
   54    51    52    70.00000  112.02700
   54    51    63    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    68   0.56750  1.0 1.0
   33    39    49    68  -0.07550 -1.0 2.0
   33    39    49    68   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    68   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    68  -0.95700  1.0 1.0
   41    39    49    68  -0.18200 -1.0 2.0
   41    39    49    68   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51   0.62750  1.0 1.0
   43    44    46    51  -0.30950 -1.0 2.0
   43    44    46    51   0.27300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    68   0.62750  1.0 1.0
   43    44    49    68  -0.30950 -1.0 2.0
   43    44    49    68   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.34400  1.0 1.0
   44    46    51    52   0.09450 -1.0 2.0
   44    46    51    52   0.11100  1.0 3.0
   44    46    51    63   0.56750  1.0 1.0
   44    46    51    63  -0.07550 -1.0 2.0
   44    46    51    63   0.20000  1.0 3.0
   44    46    51    54   0.56750  1.0 1.0
   44    46    51    54  -0.07550 -1.0 2.0
   44    46    51    54   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    68   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    68   0.56750  1.0 1.0
   46    44    49    68  -0.07550 -1.0 2.0
   46    44    49    68   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    53   0.00000  1.0 1.0
   46    51    52    58   0.09850  1.0 1.0
   46    51    52    58   0.15250 -1.0 2.0
   46    51    52    58  -0.50650  1.0 3.0
   46    51    63    62   0.34400  1.0 1.0
   46    51    63    62   0.09450 -1.0 2.0
   46    51    63    62   0.11100  1.0 3.0
   46    51    63    64   0.15000  1.0 3.0
   46    51   -63    68   0.56750  1.0 1.0
   46    51   -63    68  -0.07550 -1.0 2.0
   46    51   -63    68   0.20000  1.0 3.0
   46    51    54    55   0.15000  1.0 3.0
   46    51    54    56   0.15000  1.0 3.0
   46    51    54    57   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    63   0.15000  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    63   0.15000  1.0 3.0
   48    46    51    54   0.15000  1.0 3.0
   51    52    58    59   7.00000 -1.0 2.0
   51    52    58    60   7.00000 -1.0 2.0
   51    63    68    69   0.15000  1.0 3.0
   51    63    68    70   0.15000  1.0 3.0
   51    63    68    49   0.56750  1.0 1.0
   51    63    68    49  -0.07550 -1.0 2.0
   51    63    68    49   0.20000  1.0 3.0
   52    51    63    62   0.31000  1.0 1.0
   52    51    63    62   0.14700 -1.0 2.0
   52    51    63    62   0.07550  1.0 3.0
   52    51    63    64   0.15000  1.0 3.0
   52    51    63    68   0.34400  1.0 1.0
   52    51    63    68   0.09450 -1.0 2.0
   52    51    63    68   0.11100  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    58    60    61   1.00000 -1.0 2.0
   52    58   -60    62  -1.18350  1.0 1.0
   52    58   -60    62   1.45950 -1.0 2.0
   53    52    58    59   7.00000 -1.0 2.0
   53    52    58    60   7.00000 -1.0 2.0
   58    60    62    63   1.50000 -1.0 2.0
   58    60    62    65  -1.18350  1.0 1.0
   58    60    62    65   1.45950 -1.0 2.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    62   0.93700 -1.0 2.0
   60    62   -63    51   0.09700  1.0 1.0
   60    62   -63    51   0.15600 -1.0 2.0
   60    62   -63    51  -0.50800  1.0 3.0
   60    62    63    64   0.15000  1.0 3.0
   60    62    63    68   0.09700  1.0 1.0
   60    62    63    68   0.15600 -1.0 2.0
   60    62    63    68  -0.50800  1.0 3.0
   60    62    65    66   7.00000 -1.0 2.0
   60    62    65    67   7.00000 -1.0 2.0
   61    60    62    63  -0.64400  1.0 1.0
   61    60    62    63   0.26850 -1.0 2.0
   61    60    62    65   1.00000 -1.0 2.0
   62    63    68    69   0.15000  1.0 3.0
   62    63    68    70   0.15000  1.0 3.0
   62    63    68    49   0.34400  1.0 1.0
   62    63    68    49   0.09450 -1.0 2.0
   62    63    68    49   0.11100  1.0 3.0
   63    51    52    53   0.00000  1.0 1.0
   63    51   -52    58   0.09850  1.0 1.0
   63    51   -52    58   0.15250 -1.0 2.0
   63    51   -52    58  -0.50650  1.0 3.0
   63    51    54    55   0.15000  1.0 3.0
   63    51    54    56   0.15000  1.0 3.0
   63    51    54    57   0.15000  1.0 3.0
   63    62    65    66   7.00000 -1.0 2.0
   63    62    65    67   7.00000 -1.0 2.0
   63    68    49    39   0.56750  1.0 1.0
   63    68    49    39  -0.07550 -1.0 2.0
   63    68    49    39   0.20000  1.0 3.0
   63    68   -49    44   0.56750  1.0 1.0
   63    68   -49    44  -0.07550 -1.0 2.0
   63    68   -49    44   0.20000  1.0 3.0
   63    68    49    50   0.15000  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    49   0.15000  1.0 3.0
   69    68    49    39   0.15000  1.0 3.0
   69    68    49    44   0.15000  1.0 3.0
   69    68    49    50   0.15000  1.0 3.0
   70    68    49    39   0.15000  1.0 3.0
   70    68    49    44   0.15000  1.0 3.0
   70    68    49    50   0.15000  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44   -46    51   0.56750  1.0 1.0
   49    44   -46    51  -0.07550 -1.0 2.0
   49    44   -46    51   0.20000  1.0 3.0
   65    62    63    51   0.09850  1.0 1.0
   65    62    63    51   0.15250 -1.0 2.0
   65    62    63    51  -0.50650  1.0 3.0
   65    62    63    64   0.00000  1.0 1.0
   65    62    63    68   0.09850  1.0 1.0
   65    62    63    68   0.15250 -1.0 2.0
   65    62    63    68  -0.50650  1.0 3.0
   54    51    52    53   0.00000  1.0 1.0
   54    51    52    58   0.09850  1.0 1.0
   54    51    52    58   0.15250 -1.0 2.0
   54    51    52    58  -0.50650  1.0 3.0
   54    51    63    62   0.34400  1.0 1.0
   54    51    63    62   0.09450 -1.0 2.0
   54    51    63    62   0.11100  1.0 3.0
   54    51    63    64   0.15000  1.0 3.0
   54    51    63    68   0.56750  1.0 1.0
   54    51    63    68  -0.07550 -1.0 2.0
   54    51    63    68   0.20000  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
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   51    53    52    58   1.10000 -1.0 2.0
   60    59    58    52   1.10000 -1.0 2.0
   58    62    60    61  10.50000 -1.0 2.0
   60    63    62    65   1.10000 -1.0 2.0
   66    67    65    62   1.10000 -1.0 2.0
END
