* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    140    226     420
    1     0 S   NP   _N1_     1    28.94169    95.02889   -19.97140
    2     1 S   H    _HN1     2     1.02962    97.52256    39.53458
    3     1 S   H    _H1_     3     1.02839    34.90278   148.66420
    4     1 S   H    _H2_     4     1.02780    79.75085   -67.80726
    5     1 S   CT   _CA1     5     1.50101   142.82938   178.74664
    6     5 S   HC   _HA1     6     1.09567   105.29649    41.38022
    7     5 S   CO3  _C1_     7     1.53886   112.27963   -78.97478
    8     7 S   O2Z  _O11     8     1.26356   115.02383   -45.45375
    9     7 S   O2Z  _O12     9     1.26236   114.94433   133.76996
   10     5 S   CT   _CB1    10     1.53107   107.43913   159.39238
   11    10 S   HC   HB11    11     1.09814   109.60593   -49.61822
   12    10 S   HC   HB12    12     1.09830   110.30753    67.00917
   13    10 S   CT   _CG1    13     1.52983   112.55883  -170.73231
   14    13 S   HC   HG11    14     1.09527   110.24009   -57.26697
   15    13 S   HC   HG12    15     1.09610   110.25655    61.78501
   16    13 S   C    _CD1    16     1.51803   112.05163  -177.96722
   17    16 S   O    _OE1    17     1.22719   123.11516   -17.34275
   18    16 S   N    _N2_    18     1.38533   111.66667   163.30700
   19    18 S   H    _HN2    19     1.01579   118.99420     1.93077
   20    18 S   CT1  _CA2    20     1.46234   123.63729  -175.90022
   21    20 S   HC   _HA2    21     1.09723   109.43369   -16.25886
   22    20 S   C    _C2_    22     1.53423   107.92521  -131.98045
   23    22 S   O    _O2_    23     1.22987   122.44818  -144.45724
   24    20 S   CT   _CB2    32     1.53571   111.12247   105.98753
   25    24 S   HC   HB21    33     1.09538   109.59364    52.56305
   26    24 S   HC   HB22    34     1.09462   110.31348   171.36373
   27    22 S   N    _N3_    24     1.38578   113.22151    42.80738
   28    27 S   H    _HN3    25     1.01533   118.86321    -0.51889
   29    24 S   S    _SG2    35     1.83054   111.73193   -69.20248
   30    27 S   CT   _CA3    26     1.45445   123.46442   175.28241
   31    30 S   HC   HA31    27     1.09522   109.25668    23.90829
   32    30 S   HC   HA32    28     1.09497   107.10959   140.90200
   33    29 S   CT   _C17    36     1.86439   100.65990   157.35550
   34    30 S   CO3  _C3_    29     1.52921   113.13209   -99.59551
   35    34 S   O2Z  _O31    30     1.26402   115.41384   -44.46876
   36    34 S   O2Z  _O32    31     1.26358   114.98393   136.50859
   37    33 S   CO4  _C16    37     1.52821   107.56169   176.59780
   38    37 S   O    _O35    38     1.22263   127.40990   -35.85674
   39    33 S   CT   _C18    69     1.59085   112.75035    55.11104
   40    39 S   OM   _O36    70     1.32666   110.73785    56.07647
   41    39 S   HC   _H19    71     1.10209   105.27648   -72.02317
   42    39 S   HC   _H20    72     1.10035   106.35275  -177.47563
   43    37 S   OS   _O34    39     1.36611   109.81885   145.43324
   44    43 S   CT   _C9_    40     1.43699   111.15501    -4.28277
   45    44 S   HC   _H5_    41     1.09781   105.99144    95.44797
   46    33 S   CT   _C8_    42     1.57269   115.16607   -72.84061
   47    46 S   HC   _H4_    43     1.09806   108.84594    96.56510
   48    44 S   CT   _C10    60     1.54204   109.95139  -148.56263
   49    46 S   CT   _C7_    44     1.55040   116.86984   -24.19714
   50    49 S   HC   _H12    45     1.09095   109.34588    43.59487
   51    49 S   HC   _H13    46     1.09150   112.16745   -72.67072
   52    48 S   CT   _C15    61     1.54220   113.54689    27.72095
   53    52 S   HC   _H16    62     1.08991   113.02384    52.95447
   54    52 S   HC   _H17    63     1.09779   111.09146   -66.48433
   55    52 S   HC   _H18    64     1.09561   112.00872   175.61885
   56    49 S   CT   _C6_    47     1.53572   114.48590   158.70291
   57    56 S   HC   _H10    48     1.09812   108.14472  -162.57041
   58    56 S   HC   _H11    49     1.09865   108.01576   -49.40992
   59    56 S   CT   _C5_    50     1.53606   118.15020    73.85916
   60    59 S   HC   _H3_    51     1.10135   105.23551  -164.00315
   61    59 S   CT   _C11    52     1.53609   111.94824   -49.64727
   62    61 S   HC   _H6_    53     1.10301   105.39493   -53.54900
   63    59 S   CT   _C4_    65     1.52979   111.43476    83.70519
   64    63 S   HC   _H7_    66     1.09130   112.77731   -50.21939
   65    63 S   HC   _H8_    67     1.09394   111.80429  -173.53619
   66    63 S   HC   _H9_    68     1.09658   109.72389    67.95699
   67    61 S   CM   _C12    54     1.50603   115.22022  -167.26157
   68    67 S   HC   _H14    55     1.08221   122.89297    33.55609
   69    67 S   CM   _C13    56     1.33415   113.80781  -152.90465
   70    69 S   HC   _H15    57     1.07500   129.00160  -175.08056
   71    69 S   CO4  _C14    58     1.47349   105.18118     4.72920
   72    71 S   O    _O33    59     1.22218   122.46205  -169.55622
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  16   2   1   1  12   4   8   3   2   1   9  19   7  12   5  17
   9   5   4  10   4   3   2  11   5   4  11   7  11   5   4   2
   1   1   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    46    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    44    46    47    49    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    46    47    49    50    51    56    48    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    47    49    48    39    40    41    42  
   43    44    46    39  
   40    41    42    43    44    46    47    49  
   41    42    46  
   42    46  
   46  
   44    45    46    47    49    61    71    48    52  
   45    46    47    49    50    51    56    59    61    62    67    69    71    72    48    52    53    54    55  
   46    47    49    61    71    48    52  
   47    49    50    51    56    57    58    59    61    71    48    52  
   49    50    51    56    48  
   52    53    54    55    63    49    56    59    60    61    62    67    68    69    70    71    72  
   50    51    56    57    58    59    60    61    63  
   51    56    57    58    59  
   56    57    58    59  
   53    54    55    59    61    62    67    69    71    72  
   54    55    61    71  
   55    61    71  
   61    71  
   57    58    59    60    61    62    67    63    64    65    66  
   58    59    60    61    63  
   59    60    61    63  
   60    61    62    67    68    69    71    63    64    65    66  
   61    62    67    63    64    65    66  
   62    67    68    69    70    71    72    63    64    65    66  
   67    68    69    71    63  
   64    65    66    67  
   65    66  
   66  
    0  
   68    69    70    71    72  
   69    70    71  
   70    71    72  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   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   317.000  1.522
   33    46   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   268.000  1.529
   61    62   340.000  1.090
   61    67   317.000  1.510
   61    48   268.000  1.529
   67    68   340.000  1.080
   67    69   549.000  1.340
   69    70   340.000  1.080
   69    71   320.000  1.462
   71    72   570.000  1.229
   71    48   317.000  1.522
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    46    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    81.00000  111.40000
   33    46    44    58.35000  112.70000
   33    46    47    37.50000  110.70000
   33    46    49    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    83.00000  116.90000
   43    37    38    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    49    58.35000  112.70000
   44    48    61    58.35000  112.70000
   44    48    71    63.00000  111.10000
   44    48    52    58.35000  112.70000
   46    33    37    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    56    58.35000  112.70000
   49    46    47    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    58.35000  112.70000
   51    49    50    33.00000  107.80000
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    63    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    67    70.00000  112.02700
   59    61    48    58.35000  112.70000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    66    37.50000  110.70000
   61    59    60    37.50000  110.70000
   61    67    68    35.00000  117.00000
   61    67    69    70.00000  124.00000
   61    48    71    63.00000  111.10000
   61    48    52    58.35000  112.70000
   67    61    62    35.00000  109.50000
   67    69    70    35.00000  120.00000
   67    69    71    65.00000  118.96000
   69    67    68    35.00000  120.00000
   69    71    72    80.00000  123.72100
   69    71    48    65.00000  118.62400
   71    69    70    40.00000  117.72500
   71    48    52    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    61    62    37.50000  110.70000
   48    61    67    70.00000  112.02700
   48    71    72    80.00000  120.40000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    55    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   63    59    60    37.50000  110.70000
   63    59    61    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    46    58.35000  112.70000
   41    39    40    45.00000  125.66300
   42    39    40    45.00000  125.66300
   42    39    41    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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.40000  1.0 3.0
   29    33    46    44   0.44750  1.0 1.0
   29    33    46    44  -0.17800 -1.0 2.0
   29    33    46    44   0.20200  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    49   0.44750  1.0 1.0
   29    33    46    49  -0.17800 -1.0 2.0
   29    33    46    49   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37   -43    44   1.63150  1.0 1.0
   33    37   -43    44   2.92000 -1.0 2.0
   33    46    49    50   0.15000  1.0 3.0
   33    46    49    51   0.15000  1.0 3.0
   33    46    49    56   0.56750  1.0 1.0
   33    46    49    56  -0.07550 -1.0 2.0
   33    46    49    56   0.20000  1.0 3.0
   37    33   -46    44  -0.95700  1.0 1.0
   37    33   -46    44  -0.18200 -1.0 2.0
   37    33   -46    44   0.29450  1.0 3.0
   37    33    46    47  -0.11250  1.0 3.0
   37    33    46    49  -0.95700  1.0 1.0
   37    33    46    49  -0.18200 -1.0 2.0
   37    33    46    49   0.29450  1.0 3.0
   37    33    39    40  -0.09450  1.0 1.0
   37    33    39    40  -1.12950 -1.0 2.0
   37    33    39    40   0.54000  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    42  -0.11250  1.0 3.0
   37    43    44    45   0.08050  1.0 3.0
   37    43   -44    46  -0.25900  1.0 1.0
   37    43   -44    46  -0.47000 -1.0 2.0
   37    43   -44    46   0.11750  1.0 3.0
   37    43    44    48  -0.25900  1.0 1.0
   37    43    44    48  -0.47000 -1.0 2.0
   37    43    44    48   0.11750  1.0 3.0
   38    37    43    44   3.00000 -1.0 2.0
   43    44   -46    33   0.62750  1.0 1.0
   43    44   -46    33  -0.30950 -1.0 2.0
   43    44   -46    33   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    49   0.62750  1.0 1.0
   43    44    46    49  -0.30950 -1.0 2.0
   43    44    46    49   0.27300  1.0 3.0
   43    44    48    61   0.62750  1.0 1.0
   43    44    48    61  -0.30950 -1.0 2.0
   43    44    48    61   0.27300  1.0 3.0
   43    44    48    71  -0.09450  1.0 1.0
   43    44    48    71  -1.12950 -1.0 2.0
   43    44    48    71   0.54000  1.0 3.0
   43    44    48    52   0.62750  1.0 1.0
   43    44    48    52  -0.30950 -1.0 2.0
   43    44    48    52   0.27300  1.0 3.0
   44    46    49    50   0.15000  1.0 3.0
   44    46    49    51   0.15000  1.0 3.0
   44    46    49    56   0.56750  1.0 1.0
   44    46    49    56  -0.07550 -1.0 2.0
   44    46    49    56   0.20000  1.0 3.0
   44    48    52    53   0.15000  1.0 3.0
   44    48    52    54   0.15000  1.0 3.0
   44    48    52    55   0.15000  1.0 3.0
   45    44    46    33   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    48    61   0.15000  1.0 3.0
   45    44    48    71  -0.11250  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   46    33    37    38   0.30150 -1.0 2.0
   46    33   -37    43   0.36750  1.0 3.0
   46    33    39    40   0.62750  1.0 1.0
   46    33    39    40  -0.30950 -1.0 2.0
   46    33    39    40   0.27300  1.0 3.0
   46    33    39    41   0.15000  1.0 3.0
   46    33    39    42   0.15000  1.0 3.0
   46    44    48    61   0.56750  1.0 1.0
   46    44    48    61  -0.07550 -1.0 2.0
   46    44    48    61   0.20000  1.0 3.0
   46    44    48    71  -0.95700  1.0 1.0
   46    44    48    71  -0.18200 -1.0 2.0
   46    44    48    71   0.29450  1.0 3.0
   46    44    48    52   0.56750  1.0 1.0
   46    44    48    52  -0.07550 -1.0 2.0
   46    44    48    52   0.20000  1.0 3.0
   46    49    56    57   0.15000  1.0 3.0
   46    49    56    58   0.15000  1.0 3.0
   46    49    56    59   0.56750  1.0 1.0
   46    49    56    59  -0.07550 -1.0 2.0
   46    49    56    59   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    56   0.15000  1.0 3.0
   49    56    59    60   0.15000  1.0 3.0
   49    56    59    61   0.56750  1.0 1.0
   49    56    59    61  -0.07550 -1.0 2.0
   49    56    59    61   0.20000  1.0 3.0
   49    56    59    63   0.56750  1.0 1.0
   49    56    59    63  -0.07550 -1.0 2.0
   49    56    59    63   0.20000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    59   0.15000  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    58   0.15000  1.0 3.0
   51    49    56    59   0.15000  1.0 3.0
   56    59    61    62   0.15000  1.0 3.0
   56    59    61    67   0.34400  1.0 1.0
   56    59    61    67   0.09450 -1.0 2.0
   56    59    61    67   0.11100  1.0 3.0
   56    59    61    48   0.56750  1.0 1.0
   56    59    61    48  -0.07550 -1.0 2.0
   56    59    61    48   0.20000  1.0 3.0
   56    59    63    64   0.15000  1.0 3.0
   56    59    63    65   0.15000  1.0 3.0
   56    59    63    66   0.15000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    63   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    63   0.15000  1.0 3.0
   59    61    67    68   0.00000  1.0 1.0
   59    61    67    69   0.09850  1.0 1.0
   59    61    67    69   0.15250 -1.0 2.0
   59    61    67    69  -0.50650  1.0 3.0
   59    61    48    44   0.56750  1.0 1.0
   59    61    48    44  -0.07550 -1.0 2.0
   59    61    48    44   0.20000  1.0 3.0
   59    61    48    71  -0.95700  1.0 1.0
   59    61    48    71  -0.18200 -1.0 2.0
   59    61    48    71   0.29450  1.0 3.0
   59    61    48    52   0.56750  1.0 1.0
   59    61    48    52  -0.07550 -1.0 2.0
   59    61    48    52   0.20000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    67   0.15000  1.0 3.0
   60    59    61    48   0.15000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    65   0.15000  1.0 3.0
   61    59    63    66   0.15000  1.0 3.0
   61    67    69    70   7.00000 -1.0 2.0
   61    67   -69    71   7.00000 -1.0 2.0
   61    48    52    53   0.15000  1.0 3.0
   61    48    52    54   0.15000  1.0 3.0
   61    48    52    55   0.15000  1.0 3.0
   62    61    67    68   0.33100  1.0 3.0
   62    61    67    69   0.00000  1.0 1.0
   62    61    48    44   0.15000  1.0 3.0
   62    61    48    71  -0.11250  1.0 3.0
   62    61    48    52   0.15000  1.0 3.0
   67    61    48    44   0.34400  1.0 1.0
   67    61    48    44   0.09450 -1.0 2.0
   67    61    48    44   0.11100  1.0 3.0
   67    61   -48    71  -0.98800  1.0 1.0
   67    61   -48    71   0.48800 -1.0 2.0
   67    61   -48    71   0.76800  1.0 3.0
   67    61    48    52   0.34400  1.0 1.0
   67    61    48    52   0.09450 -1.0 2.0
   67    61    48    52   0.11100  1.0 3.0
   67    69    71    72   1.00000 -1.0 2.0
   67    69   -71    48  -0.33500  1.0 1.0
   67    69   -71    48   1.06600 -1.0 2.0
   67    69   -71    48  -0.14000  1.0 3.0
   68    67    69    70   7.00000 -1.0 2.0
   68    67    69    71   7.00000 -1.0 2.0
   69    71    48    44   0.65300  1.0 1.0
   69    71    48    44  -0.03850 -1.0 2.0
   69    71    48    44   0.33900  1.0 3.0
   69    71   -48    61   0.65300  1.0 1.0
   69    71   -48    61  -0.03850 -1.0 2.0
   69    71   -48    61   0.33900  1.0 3.0
   69    71    48    52   0.65300  1.0 1.0
   69    71    48    52  -0.03850 -1.0 2.0
   69    71    48    52   0.33900  1.0 3.0
   70    69    71    72   0.00000  1.0 1.0
   70    69    71    48   0.04550  1.0 1.0
   70    69    71    48   0.83000 -1.0 2.0
   70    69    71    48  -0.04000  1.0 3.0
   71    48    52    53  -0.11250  1.0 3.0
   71    48    52    54  -0.11250  1.0 3.0
   71    48    52    55  -0.11250  1.0 3.0
   72    71    48    44   0.30150 -1.0 2.0
   72    71    48    61   0.30150 -1.0 2.0
   72    71    48    52   0.30150 -1.0 2.0
   48    44    46    33   0.56750  1.0 1.0
   48    44    46    33  -0.07550 -1.0 2.0
   48    44    46    33   0.20000  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    49   0.56750  1.0 1.0
   48    44    46    49  -0.07550 -1.0 2.0
   48    44    46    49   0.20000  1.0 3.0
   48    61    67    68   0.00000  1.0 1.0
   48    61   -67    69   0.09850  1.0 1.0
   48    61   -67    69   0.15250 -1.0 2.0
   48    61   -67    69  -0.50650  1.0 3.0
   63    59    61    62   0.15000  1.0 3.0
   63    59    61    67   0.34400  1.0 1.0
   63    59    61    67   0.09450 -1.0 2.0
   63    59    61    67   0.11100  1.0 3.0
   63    59    61    48   0.56750  1.0 1.0
   63    59    61    48  -0.07550 -1.0 2.0
   63    59    61    48   0.20000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    43   0.36750  1.0 3.0
   39    33    46    44   0.56750  1.0 1.0
   39    33    46    44  -0.07550 -1.0 2.0
   39    33    46    44   0.20000  1.0 3.0
   39    33    46    47   0.15000  1.0 3.0
   39    33    46    49   0.56750  1.0 1.0
   39    33    46    49  -0.07550 -1.0 2.0
   39    33    46    49   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
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   61    68    67    69   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   69    48    71    72  10.50000 -1.0 2.0
END
