* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    135    205     397
    1     0 S   NP   _N1_     1    28.63696    96.61455   -22.76674
    2     1 S   H    _HN1     2     1.02786   101.79445   -82.15876
    3     1 S   H    _H1_     3     1.02950    69.66501    23.26141
    4     1 S   H    _H2_     4     1.02830    42.24438   174.15350
    5     1 S   CT   _CA1     5     1.50110   143.18132   120.47860
    6     5 S   HC   _HA1     6     1.09572   105.19509    94.63232
    7     5 S   CO3  _C1_     7     1.53786   112.46601   -25.60669
    8     7 S   O2Z  _O11     8     1.26372   115.00490   -42.46354
    9     7 S   O2Z  _O12     9     1.26239   114.94747   136.67614
   10     5 S   CT   _CB1    10     1.53081   107.42888  -147.37578
   11    10 S   HC   HB11    11     1.09833   109.37606   -49.67651
   12    10 S   HC   HB12    12     1.09812   110.44687    66.93416
   13    10 S   CT   _CG1    13     1.52994   112.60330  -170.64913
   14    13 S   HC   HG11    14     1.09580   110.64081   -65.71445
   15    13 S   HC   HG12    15     1.09671   109.77692    53.51580
   16    13 S   C    _CD1    16     1.51800   112.21909   173.98041
   17    16 S   O    _OE1    17     1.22733   123.29597     7.49195
   18    16 S   N    _N2_    18     1.38661   111.69010  -172.68048
   19    18 S   H    _HN2    19     1.01592   118.94417     1.56511
   20    18 S   CT1  _CA2    20     1.46200   123.36631   177.15917
   21    20 S   HC   _HA2    21     1.09743   109.33317     1.87795
   22    20 S   C    _C2_    22     1.53555   108.63912  -113.49525
   23    22 S   O    _O2_    23     1.23050   122.29164  -148.77273
   24    20 S   CT   _CB2    32     1.53322   111.66682   123.89003
   25    24 S   HC   HB21    33     1.09613   110.09522    55.96810
   26    24 S   HC   HB22    34     1.09510   109.94625   175.10791
   27    22 S   N    _N3_    24     1.38325   113.70391    38.74360
   28    27 S   H    _HN3    25     1.01587   119.58823    -3.42280
   29    24 S   S    _SG2    35     1.82626   111.37168   -64.92917
   30    27 S   CT   _CA3    26     1.45287   123.23540   177.09761
   31    30 S   HC   HA31    27     1.09548   107.52060   -64.43327
   32    30 S   HC   HA32    28     1.09555   107.97974    52.01344
   33    29 S   S    _S2_    36     2.05669   101.82354   179.84805
   34    30 S   CO3  _C3_    29     1.52963   114.05604   174.00504
   35    34 S   O2Z  _O31    30     1.26379   116.05733    -0.50899
   36    34 S   O2Z  _O32    31     1.26424   114.41568   179.54846
   37    33 S   CT   _C9_    37     1.85541   103.49858    82.67591
   38    37 S   HC   _H5_    38     1.09697   105.53725   -49.26728
   39    37 S   CT   _C8_    39     1.55684   111.00962    67.09880
   40    39 S   HC   _H4_    40     1.09858   108.07734   -62.20850
   41    37 S   CT   _C10    65     1.55850   111.26096  -163.77642
   42    41 S   HC   _H6_    66     1.09728   107.60903  -179.08979
   43    39 S   CT   _C7_    41     1.53653   116.20895    57.87294
   44    43 S   HC   _H14    42     1.09201   115.30831     2.26874
   45    43 S   HC   _H15    43     1.09731   109.44894  -118.61107
   46    41 S   CT   _C11    67     1.54739   112.94019    60.25467
   47    46 S   SM   _S1_    68     1.84419   109.65221   165.21235
   48    46 S   HC   _H16    69     1.09605   109.76762   -73.35273
   49    46 S   HC   _H17    70     1.09647   109.13481    43.43489
   50    41 S   OH   _O33    71     1.42836   110.63897   -62.71472
   51    50 S   HO   _H18    72     0.97417   106.23195   175.01497
   52    43 S   CT   _C6_    44     1.52023   104.61462   124.23719
   53    52 S   HC   _H12    45     1.09162   112.18020   153.44469
   54    52 S   HC   _H13    46     1.09918   109.11772   -89.01915
   55    52 S   CT   _C5_    47     1.53229   104.24164    27.92855
   56    55 S   HC   _H3_    48     1.09754   108.07012  -156.95563
   57    55 S   CT   _C12    49     1.55962   113.84663    80.85252
   58    57 S   HC   _H7_    50     1.09647   110.40986   -78.57894
   59    39 S   NT   _N4_    60     1.47866   113.46018   178.02603
   60    57 S   CT   _C13    51     1.54394   115.20039    44.57512
   61    60 S   HC   _H8_    52     1.09589   109.59508   -69.85715
   62    59 S   CT   _C4_    61     1.45047   114.20650    72.68688
   63    62 S   HC   _H9_    62     1.09504   110.68097   -62.94554
   64    62 S   HC   _H10    63     1.09495   110.71077  -179.80218
   65    62 S   HC   _H11    64     1.09450   112.77256    57.48299
   66    60 S   CT   _C14    53     1.52976   110.78773   171.31398
   67    66 S   HC   _H19    54     1.09474   110.66275    71.37592
   68    66 S   HC   _H20    55     1.09394   111.85580  -167.21625
   69    60 S   OH   _O34    58     1.42781   111.15221    47.75936
   70    69 S   HO   _H21    59     0.97247   107.74412  -179.42495
   71    66 S   S    _S3_    56     1.80851   108.10884   -47.13424
   72    57 S   S    _S4_    57     1.84086   111.17462   163.02963
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  10   2   1   1  18   8  19   8   9   6  10   6   5   5   3   2
   1   1   1  10   5   4  14   6  12   7   6   8   7   3   2   1
   1   6   4   3   3   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    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    43    59    41    42    46    50  
   35    36  
   36  
    0  
   38    39    40    43    44    45    52    55    59    62    41    42    46    47    48    49    50    51  
   39    40    43    59    41    42    46    50  
   40    43    44    45    52    53    54    55    56    57    59    62    63    64    65    41    42    46    50  
   43    44    45    52    55    59    62    41  
   42    46    47    48    49    50    51    43    59  
   46    47    48    49    50    51  
   44    45    52    53    54    55    56    57    59    62  
   45    52    53    54    55    59  
   52    53    54    55    59  
   47    48    49    50    51  
   48    49    50  
   49    50  
   50  
   51  
    0  
   53    54    55    56    57    58    60    72    59    62  
   54    55    56    57    59  
   55    56    57    59  
   56    57    58    60    61    66    71    72    69    59    62    63    64    65  
   57    58    60    72    59    62  
   58    60    61    66    67    68    71    72    69    70    59    62  
   60    61    66    71    72    69    59  
   62    63    64    65    60    72  
   61    66    67    68    71    72    69    70  
   66    67    68    71    72    69    70  
   63    64    65  
   64    65  
   65  
    0  
   67    68    71    72    69    70  
   68    71    72    69  
   71    72    69  
   70    71    72  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   0.157500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.300000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.157500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   72   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
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   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   268.000  1.529
   37    41   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    59   382.000  1.448
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   382.000  1.448
   57    58   340.000  1.090
   57    60   268.000  1.529
   57    72   222.000  1.810
   60    61   340.000  1.090
   60    66   268.000  1.529
   60    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   222.000  1.810
   71    72   166.000  2.038
   69    70   553.000  0.945
   59    62   382.000  1.448
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   41    42   340.000  1.090
   41    46   268.000  1.529
   41    50   320.000  1.410
   46    47   222.000  1.810
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    75.00000  111.63000
   33    37    41    75.00000  111.63000
   37    39    40    37.50000  110.70000
   37    39    43    58.35000  112.70000
   37    39    59    56.20000  109.47000
   37    41    42    37.50000  110.70000
   37    41    46    58.35000  112.70000
   37    41    50    50.00000  109.50000
   39    37    38    37.50000  110.70000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    52    58.35000  112.70000
   39    59    55    51.80000  107.20000
   39    59    62    51.80000  107.20000
   43    39    40    37.50000  110.70000
   43    52    53    37.50000  110.70000
   43    52    54    37.50000  110.70000
   43    52    55    58.35000  112.70000
   45    43    44    33.00000  107.80000
   52    43    44    37.50000  110.70000
   52    43    45    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    59    56.20000  109.47000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    60    58.35000  112.70000
   55    57    72    75.00000  111.63000
   55    59    62    51.80000  107.20000
   57    55    56    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    66    58.35000  112.70000
   57    60    69    50.00000  109.50000
   57    72    71    68.00000  103.70000
   60    57    58    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    71    75.00000  111.63000
   60    69    70    55.00000  108.50000
   66    60    61    37.50000  110.70000
   66    71    72    68.00000  103.70000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   72    57    58    35.00000  109.50000
   72    57    60    75.00000  111.63000
   69    60    61    35.00000  109.50000
   69    60    66    50.00000  109.50000
   59    39    40    35.00000  109.50000
   59    39    43    56.20000  109.47000
   59    55    56    35.00000  109.50000
   59    55    57    56.20000  109.47000
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   41    37    38    37.50000  110.70000
   41    37    39    58.35000  112.70000
   41    46    47    75.00000  111.63000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   41    50    51    55.00000  108.50000
   46    41    42    37.50000  110.70000
   48    46    47    35.00000  109.50000
   49    46    47    35.00000  109.50000
   49    46    48    33.00000  107.80000
   50    41    42    35.00000  109.50000
   50    41    46    50.00000  109.50000
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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.24000  1.0 3.0
   29    33    37    39   0.09450  1.0 1.0
   29    33    37    39  -0.17100 -1.0 2.0
   29    33    37    39   0.39100  1.0 3.0
   29    33    37    41   0.09450  1.0 1.0
   29    33    37    41  -0.17100 -1.0 2.0
   29    33    37    41   0.39100  1.0 3.0
   33    37    39    40   0.15000  1.0 3.0
   33    37    39    43   0.44750  1.0 1.0
   33    37    39    43  -0.17800 -1.0 2.0
   33    37    39    43   0.20200  1.0 3.0
   33    37    39    59   0.56750  1.0 1.0
   33    37    39    59  -0.07550 -1.0 2.0
   33    37    39    59   0.20000  1.0 3.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    46   0.44750  1.0 1.0
   33    37    41    46  -0.17800 -1.0 2.0
   33    37    41    46   0.20200  1.0 3.0
   33    37    41    50   0.56750  1.0 1.0
   33    37    41    50  -0.07550 -1.0 2.0
   33    37    41    50   0.20000  1.0 3.0
   37    39    43    44   0.15000  1.0 3.0
   37    39    43    45   0.15000  1.0 3.0
   37    39    43    52   0.56750  1.0 1.0
   37    39    43    52  -0.07550 -1.0 2.0
   37    39    43    52   0.20000  1.0 3.0
   37    39    59    55   0.23450  1.0 1.0
   37    39    59    55   0.02050 -1.0 2.0
   37    39    59    55   0.25250  1.0 3.0
   37    39    59    62   0.23450  1.0 1.0
   37    39    59    62   0.02050 -1.0 2.0
   37    39    59    62   0.25250  1.0 3.0
   37    41    46    47   0.44750  1.0 1.0
   37    41    46    47  -0.17800 -1.0 2.0
   37    41    46    47   0.20200  1.0 3.0
   37    41    46    48   0.15000  1.0 3.0
   37    41    46    49   0.15000  1.0 3.0
   37    41    50    51  -0.11600  1.0 1.0
   37    41    50    51  -0.09450 -1.0 2.0
   37    41    50    51   0.21250  1.0 3.0
   38    37    39    40   0.15000  1.0 3.0
   38    37    39    43   0.15000  1.0 3.0
   38    37    39    59   0.15000  1.0 3.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    46   0.15000  1.0 3.0
   38    37    41    50   0.23400  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    46   0.56750  1.0 1.0
   39    37    41    46  -0.07550 -1.0 2.0
   39    37    41    46   0.20000  1.0 3.0
   39    37    41    50   0.86500  1.0 1.0
   39    37    41    50  -0.17500 -1.0 2.0
   39    37    41    50   0.20800  1.0 3.0
   39    43    52    53   0.15000  1.0 3.0
   39    43    52    54   0.15000  1.0 3.0
   39    43   -52    55   0.56750  1.0 1.0
   39    43   -52    55  -0.07550 -1.0 2.0
   39    43   -52    55   0.20000  1.0 3.0
   39    59    62    63   0.28000  1.0 3.0
   39    59    62    64   0.28000  1.0 3.0
   39    59    62    65   0.28000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    52   0.15000  1.0 3.0
   40    39    59    55   0.28000  1.0 3.0
   40    39    59    62   0.28000  1.0 3.0
   43    39   -59    55   0.23450  1.0 1.0
   43    39   -59    55   0.02050 -1.0 2.0
   43    39   -59    55   0.25250  1.0 3.0
   43    39    59    62   0.58650  1.0 1.0
   43    39    59    62   0.12600 -1.0 2.0
   43    39    59    62   0.33350  1.0 3.0
   43    52    55    56   0.15000  1.0 3.0
   43    52    55    57   0.56750  1.0 1.0
   43    52    55    57  -0.07550 -1.0 2.0
   43    52    55    57   0.20000  1.0 3.0
   43    52   -55    59   1.53400  1.0 1.0
   43    52   -55    59  -0.09950 -1.0 2.0
   43    52   -55    59   0.05700  1.0 3.0
   44    43    52    53   0.15000  1.0 3.0
   44    43    52    54   0.15000  1.0 3.0
   44    43    52    55   0.15000  1.0 3.0
   45    43    52    53   0.15000  1.0 3.0
   45    43    52    54   0.15000  1.0 3.0
   45    43    52    55   0.15000  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    60   0.56750  1.0 1.0
   52    55    57    60  -0.07550 -1.0 2.0
   52    55    57    60   0.20000  1.0 3.0
   52    55    57    72   0.44750  1.0 1.0
   52    55    57    72  -0.17800 -1.0 2.0
   52    55    57    72   0.20200  1.0 3.0
   52    55   -59    39   0.23450  1.0 1.0
   52    55   -59    39   0.02050 -1.0 2.0
   52    55   -59    39   0.25250  1.0 3.0
   52    55    59    62   0.58650  1.0 1.0
   52    55    59    62   0.12600 -1.0 2.0
   52    55    59    62   0.33350  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    59   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    59   0.15000  1.0 3.0
   55    57    60    61   0.15000  1.0 3.0
   55    57    60    66   0.56750  1.0 1.0
   55    57    60    66  -0.07550 -1.0 2.0
   55    57    60    66   0.20000  1.0 3.0
   55    57    60    69   0.86500  1.0 1.0
   55    57    60    69  -0.17500 -1.0 2.0
   55    57    60    69   0.20800  1.0 3.0
   55    57    72    71   0.09450  1.0 1.0
   55    57    72    71  -0.17100 -1.0 2.0
   55    57    72    71   0.39100  1.0 3.0
   55    59    62    63   0.28000  1.0 3.0
   55    59    62    64   0.28000  1.0 3.0
   55    59    62    65   0.28000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    60   0.15000  1.0 3.0
   56    55    57    72   0.15000  1.0 3.0
   56    55    59    39   0.28000  1.0 3.0
   56    55    59    62   0.28000  1.0 3.0
   57    55    59    39   0.23450  1.0 1.0
   57    55    59    39   0.02050 -1.0 2.0
   57    55    59    39   0.25250  1.0 3.0
   57    55    59    62   0.23450  1.0 1.0
   57    55    59    62   0.02050 -1.0 2.0
   57    55    59    62   0.25250  1.0 3.0
   57    60    66    67   0.15000  1.0 3.0
   57    60    66    68   0.15000  1.0 3.0
   57    60   -66    71   0.44750  1.0 1.0
   57    60   -66    71  -0.17800 -1.0 2.0
   57    60   -66    71   0.20200  1.0 3.0
   57    60    69    70  -0.11600  1.0 1.0
   57    60    69    70  -0.09450 -1.0 2.0
   57    60    69    70   0.21250  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    66   0.15000  1.0 3.0
   58    57    60    69   0.23400  1.0 3.0
   58    57    72    71   0.24000  1.0 3.0
   60    57   -72    71   0.09450  1.0 1.0
   60    57   -72    71  -0.17100 -1.0 2.0
   60    57   -72    71   0.39100  1.0 3.0
   60    66   -71    72   0.09450  1.0 1.0
   60    66   -71    72  -0.17100 -1.0 2.0
   60    66   -71    72   0.39100  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    71   0.15000  1.0 3.0
   61    60    69    70   0.19450  1.0 3.0
   66    60    69    70  -0.11600  1.0 1.0
   66    60    69    70  -0.09450 -1.0 2.0
   66    60    69    70   0.21250  1.0 3.0
   66    71   -72    57  -3.49700 -1.0 2.0
   66    71   -72    57   0.74750  1.0 3.0
   67    66    71    72   0.24000  1.0 3.0
   68    66    71    72   0.24000  1.0 3.0
   72    57    60    61   0.15000  1.0 3.0
   72    57   -60    66   0.44750  1.0 1.0
   72    57   -60    66  -0.17800 -1.0 2.0
   72    57   -60    66   0.20200  1.0 3.0
   72    57    60    69   0.56750  1.0 1.0
   72    57    60    69  -0.07550 -1.0 2.0
   72    57    60    69   0.20000  1.0 3.0
   69    60    66    67   0.23400  1.0 3.0
   69    60    66    68   0.23400  1.0 3.0
   69    60    66    71   0.56750  1.0 1.0
   69    60    66    71  -0.07550 -1.0 2.0
   69    60    66    71   0.20000  1.0 3.0
   59    39    43    44   0.15000  1.0 3.0
   59    39    43    45   0.15000  1.0 3.0
   59    39   -43    52   1.53400  1.0 1.0
   59    39   -43    52  -0.09950 -1.0 2.0
   59    39   -43    52   0.05700  1.0 3.0
   59    55    57    58   0.15000  1.0 3.0
   59    55    57    60   1.53400  1.0 1.0
   59    55    57    60  -0.09950 -1.0 2.0
   59    55    57    60   0.05700  1.0 3.0
   59    55    57    72   0.56750  1.0 1.0
   59    55    57    72  -0.07550 -1.0 2.0
   59    55    57    72   0.20000  1.0 3.0
   41    37    39    40   0.15000  1.0 3.0
   41    37    39    43   0.56750  1.0 1.0
   41    37    39    43  -0.07550 -1.0 2.0
   41    37    39    43   0.20000  1.0 3.0
   41    37    39    59   1.53400  1.0 1.0
   41    37    39    59  -0.09950 -1.0 2.0
   41    37    39    59   0.05700  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    49   0.15000  1.0 3.0
   42    41    50    51   0.19450  1.0 3.0
   46    41    50    51  -0.11600  1.0 1.0
   46    41    50    51  -0.09450 -1.0 2.0
   46    41    50    51   0.21250  1.0 3.0
   50    41    46    47   0.56750  1.0 1.0
   50    41    46    47  -0.07550 -1.0 2.0
   50    41    46    47   0.20000  1.0 3.0
   50    41    46    48   0.23400  1.0 3.0
   50    41    46    49   0.23400  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
END
