* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    135    211     407
    1     0 S   NP   _N1_     1    31.65747    94.12158   -14.63067
    2     1 S   H    _HN1     2     1.02980   136.75850   141.36020
    3     1 S   H    _H1_     3     1.02761    37.36686    93.82328
    4     1 S   H    _H2_     4     1.03403   107.52713    -1.75714
    5     1 S   CT   _CA1     5     1.50032    77.40139  -111.09846
    6     5 S   HC   _HA1     6     1.09562   105.26397    42.59042
    7     5 S   CO3  _C1_     7     1.53700   112.91098   -77.98170
    8     7 S   O2Z  _O11     8     1.26359   115.19267   -42.41813
    9     7 S   O2Z  _O12     9     1.26289   114.93996   137.10489
   10     5 S   CT   _CB1    10     1.52900   107.22019   160.48713
   11    10 S   HC   HB11    11     1.09846   109.24229   -50.81183
   12    10 S   HC   HB12    12     1.09772   109.97000    65.34172
   13    10 S   CT   _CG1    13     1.53113   113.44140  -172.29217
   14    13 S   HC   HG11    14     1.09556   111.22001   -71.62324
   15    13 S   HC   HG12    15     1.09590   110.69830    48.07379
   16    13 S   C    _CD1    16     1.51493   109.96922   167.43251
   17    16 S   O    _OE1    17     1.22819   121.74095  -107.51910
   18    16 S   N    _N2_    18     1.38413   112.88607    70.90385
   19    18 S   H    _HN2    19     1.01576   119.13126     6.61678
   20    18 S   CT1  _CA2    20     1.46239   123.31793  -171.10146
   21    20 S   HC   _HA2    21     1.09725   109.37592    -0.77177
   22    20 S   C    _C2_    22     1.53267   108.80095  -116.99773
   23    22 S   O    _O2_    23     1.23036   122.19661  -143.14469
   24    20 S   CT   _CB2    32     1.53599   110.98958   120.55584
   25    24 S   HC   HB21    33     1.09306   109.52005    62.89532
   26    24 S   HC   HB22    34     1.09532   110.42086  -178.97321
   27    22 S   N    _N3_    24     1.38491   113.49640    44.02239
   28    27 S   H    _HN3    25     1.01513   119.01022    -0.15066
   29    24 S   S    _SG2    35     1.82820   111.37801   -59.13176
   30    27 S   CT   _CA3    26     1.45424   123.21394   175.64693
   31    30 S   HC   HA31    27     1.09542   108.97348    29.42682
   32    30 S   HC   HA32    28     1.09492   107.18741   146.33824
   33    29 S   CT   _C12    36     1.85356   100.53429   159.22811
   34    33 S   HC   _H11    37     1.09551   107.22424    31.94614
   35    30 S   CO3  _C3_    29     1.52924   113.29230   -93.89972
   36    35 S   O2Z  _O31    30     1.26386   115.46463   -44.87349
   37    35 S   O2Z  _O32    31     1.26369   114.95850   136.12117
   38    33 S   CT   _C13    38     1.53656   109.46899   151.72850
   39    38 S   HC   _H12    39     1.10030   108.73393  -179.74359
   40    38 S   OS   _O35    40     1.43778   109.51912    62.62391
   41    38 S   CO3  _C14    72     1.54104   118.02438   -62.24902
   42    41 S   O2Z  _O37    73     1.26529   115.34363   157.84793
   43    41 S   O2Z  _O36    74     1.26373   115.54844   -24.63880
   44    40 S   CO   _C9_    41     1.42765   112.82281    66.76388
   45    44 S   HC   _H8_    42     1.09654   109.95731    59.76347
   46    44 S   CT   _C10    43     1.53686   110.14015   -61.11754
   47    46 S   HC   _H9_    44     1.09391   109.82465   -71.14943
   48    44 S   OS   _O34    51     1.43225   113.14734   179.59749
   49    33 S   CT   _C11    45     1.54342   112.33336   -89.02144
   50    49 S   HC   _H10    46     1.09840   108.52223   172.46412
   51    46 S   OH   _O39    49     1.43109   109.91748   172.90375
   52    51 S   HO   _H14    50     0.97221   108.03335   -60.16794
   53    48 S   CT   _C8_    52     1.43487   117.03583   -37.11023
   54    53 S   HC   _H7_    53     1.09609   109.00515    56.52048
   55    49 S   OH   _O38    47     1.42445   112.26591    56.07921
   56    55 S   HO   _H13    48     0.97238   107.35640    64.15100
   57    53 S   CT   _C7_    54     1.53677   106.62628   175.00017
   58    57 S   HC   _H6_    55     1.09947   109.42133   178.56619
   59    57 S   OS   _O33    56     1.43853   109.15707    59.97116
   60    57 S   CO3  _C15    69     1.54013   117.09058   -61.53914
   61    60 S   O2Z  _O41    70     1.26607   114.57869  -177.42116
   62    60 S   O2Z  _O40    71     1.26283   116.84863     2.22229
   63    59 S   CO   _C6_    57     1.42502   113.00474    64.38636
   64    63 S   HC   _H5_    58     1.09728   109.69359    64.42741
   65    63 S   CT   _C5_    59     1.53547   111.58342   -58.53025
   66    65 S   HC   _H4_    60     1.09633   110.49435   -71.00913
   67    63 S   OH   _O42    67     1.42623   109.38718  -178.16805
   68    67 S   HO   _H15    68     0.97183   106.57114   -78.19529
   69    53 S   CT   _C4_    61     1.54015   113.32474   -67.25659
   70    69 S   HC   _H3_    62     1.09762   109.05372   179.39026
   71    65 S   OH   _O43    65     1.43097   109.45739   172.35409
   72    71 S   HO   _H16    66     0.97206   108.09710   -64.96100
   73    69 S   OH   _O44    63     1.42352   112.59565    62.60397
   74    73 S   HO   _H17    64     0.97492   107.90232    48.05107
  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  10   5   4   3
  15   8   2   1   1  12   6  11   4   1   1  13   6   9   6  12
   5   3   2   1  15   8   1   1  12   6  11   4   1   1  10   6
   9   6   3   1   5   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    49    50    55    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    46    47    49    50    55    56    51    41    42    43  
   38    39    40    46    49    50    55    41  
   36    37  
   37  
    0  
   39    40    44    45    46    49    50    55    48    41    42    43  
   40    44    49    41    42    43  
   44    45    46    47    49    51    48    53    41    42    43  
   42    43    44    49  
   43  
    0  
   45    46    47    49    50    55    51    52    48    53    54    57    69  
   46    47    49    51    48    53  
   47    49    50    55    56    51    52    48    53  
   49    50    55    51    52    48  
   53    54    57    58    59    65    69    70    73    60    49    51  
   50    55    56    51    52  
   55    56    51  
   52    55  
    0  
   54    57    58    59    63    65    66    69    70    73    74    71    60    61    62  
   57    58    59    65    69    70    73    60  
   56  
    0  
   58    59    63    64    65    69    70    73    67    60    61    62  
   59    63    69    60    61    62  
   63    64    65    66    69    71    67    68    60    61    62  
   61    62    63    69  
   62  
    0  
   64    65    66    69    70    73    71    72    67    68  
   65    66    69    71    67    68  
   66    69    70    73    74    71    72    67    68  
   69    70    73    71    72    67  
   68    69    71  
    0  
   70    73    74    71    72  
   73    74    71  
   72    73  
    0  
   74  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   320.000  1.410
   38    41   317.000  1.522
   40    44   320.000  1.380
   44    45   340.000  1.090
   44    46   250.000  1.527
   44    48   320.000  1.380
   46    47   340.000  1.090
   46    49   268.000  1.529
   46    51   320.000  1.410
   49    50   340.000  1.090
   49    55   320.000  1.410
   55    56   553.000  0.945
   51    52   553.000  0.945
   48    53   320.000  1.410
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    69   268.000  1.529
   57    58   340.000  1.090
   57    59   320.000  1.410
   57    60   317.000  1.522
   59    63   320.000  1.380
   63    64   340.000  1.090
   63    65   250.000  1.527
   63    67   380.000  1.407
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   320.000  1.410
   69    70   340.000  1.090
   69    73   320.000  1.410
   73    74   553.000  0.945
   71    72   553.000  0.945
   67    68   553.000  0.945
   60    61   656.000  1.250
   60    62   656.000  1.250
   41    42   656.000  1.250
   41    43   656.000  1.250
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    50.00000  109.50000
   33    38    41    70.00000  109.69300
   33    49    46    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    55    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    44    60.00000  109.50000
   38    41    42    70.00000  117.00000
   38    41    43    70.00000  117.00000
   40    38    39    35.00000  109.50000
   40    44    45    35.00000  109.50000
   40    44    46    90.00000  108.56700
   40    44    48    92.60000  111.55000
   44    46    47    45.00000  108.72000
   44    46    49    75.00000  109.43000
   44    46    51    90.00000  111.58700
   44    48    53    60.00000  109.50000
   46    44    45    45.00000  112.01100
   46    49    50    37.50000  110.70000
   46    49    55    50.00000  109.50000
   46    51    52    55.00000  108.50000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    46    47    37.50000  110.70000
   49    55    56    55.00000  108.50000
   55    49    50    35.00000  109.50000
   51    46    47    35.00000  109.50000
   51    46    49    50.00000  109.50000
   48    44    45    35.00000  109.50000
   48    44    46    90.00000  108.56700
   48    53    54    35.00000  109.50000
   48    53    57    50.00000  109.50000
   48    53    69    50.00000  109.50000
   53    57    58    37.50000  110.70000
   53    57    59    50.00000  109.50000
   53    57    60    70.00000  109.69300
   53    69    65    58.35000  112.70000
   53    69    70    37.50000  110.70000
   53    69    73    50.00000  109.50000
   57    53    54    37.50000  110.70000
   57    59    63    60.00000  109.50000
   57    60    61    70.00000  117.00000
   57    60    62    70.00000  117.00000
   59    57    58    35.00000  109.50000
   59    63    64    35.00000  109.50000
   59    63    65    90.00000  108.56700
   59    63    67   110.00000  112.08000
   63    65    66    45.00000  108.72000
   63    65    69    75.00000  109.43000
   63    65    71    90.00000  111.58700
   63    67    68    70.00000  107.92000
   65    63    64    45.00000  112.01100
   65    69    70    37.50000  110.70000
   65    69    73    50.00000  109.50000
   65    71    72    55.00000  108.50000
   69    53    54    37.50000  110.70000
   69    53    57    58.35000  112.70000
   69    65    66    37.50000  110.70000
   69    73    74    55.00000  108.50000
   73    69    70    35.00000  109.50000
   71    65    66    35.00000  109.50000
   71    65    69    50.00000  109.50000
   67    63    64    60.00000  108.02500
   67    63    65    90.00000  110.19100
   60    57    58    35.00000  109.50000
   60    57    59    85.00000  109.63000
   62    60    61    80.00000  126.00000
   41    38    39    35.00000  109.50000
   41    38    40    85.00000  109.63000
   43    41    42    80.00000  126.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    49    46   0.44750  1.0 1.0
   29    33    49    46  -0.17800 -1.0 2.0
   29    33    49    46   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    55   0.56750  1.0 1.0
   29    33    49    55  -0.07550 -1.0 2.0
   29    33    49    55   0.20000  1.0 3.0
   33    38    40    44   0.06250  1.0 1.0
   33    38    40    44  -0.01100 -1.0 2.0
   33    38    40    44   0.28050  1.0 3.0
   33    38    41    42   0.41150 -1.0 2.0
   33    38    41    43   0.41150 -1.0 2.0
   33    49    55    56  -0.11600  1.0 1.0
   33    49    55    56  -0.09450 -1.0 2.0
   33    49    55    56   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    49    46   0.15000  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    55   0.23400  1.0 3.0
   38    33    49    46   0.56750  1.0 1.0
   38    33    49    46  -0.07550 -1.0 2.0
   38    33    49    46   0.20000  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    55   0.86500  1.0 1.0
   38    33    49    55  -0.17500 -1.0 2.0
   38    33    49    55   0.20800  1.0 3.0
   38    40    44    45   0.37050  1.0 3.0
   38    40   -44    46   0.06250  1.0 1.0
   38    40   -44    46  -0.01100 -1.0 2.0
   38    40   -44    46   0.28050  1.0 3.0
   38    40    44    48  -0.81800  1.0 1.0
   39    38    40    44   0.37050  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.30150 -1.0 2.0
   40    38    41    43   0.30150 -1.0 2.0
   40    44    46    47   0.23400  1.0 3.0
   40    44    46    49   0.62750  1.0 1.0
   40    44    46    49  -0.30950 -1.0 2.0
   40    44    46    49   0.27300  1.0 3.0
   40    44    46    51   3.69350  1.0 1.0
   40    44    46    51  -1.82950 -1.0 2.0
   40    44    48    53  -0.53350  1.0 1.0
   40    44    48    53  -0.78350 -1.0 2.0
   40    44    48    53   0.33750  1.0 3.0
   44    46   -49    33   3.97050  1.0 1.0
   44    46    49    50   0.15000  1.0 3.0
   44    46    49    55   0.86500  1.0 1.0
   44    46    49    55  -0.17500 -1.0 2.0
   44    46    49    55   0.20800  1.0 3.0
   44    46    51    52  -0.11600  1.0 1.0
   44    46    51    52  -0.09450 -1.0 2.0
   44    46    51    52   0.21250  1.0 3.0
   44    48    53    54   0.37050  1.0 3.0
   44    48    53    57   0.06250  1.0 1.0
   44    48    53    57  -0.01100 -1.0 2.0
   44    48    53    57   0.28050  1.0 3.0
   44    48    53    69   0.06250  1.0 1.0
   44    48    53    69  -0.01100 -1.0 2.0
   44    48    53    69   0.28050  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    46    51   0.23400  1.0 3.0
   45    44    48    53   0.37050  1.0 3.0
   46    44    48    53   0.06250  1.0 1.0
   46    44    48    53  -0.01100 -1.0 2.0
   46    44    48    53   0.28050  1.0 3.0
   46    49    55    56  -0.11600  1.0 1.0
   46    49    55    56  -0.09450 -1.0 2.0
   46    49    55    56   0.21250  1.0 3.0
   47    46    49    33   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    55   0.23400  1.0 3.0
   47    46    51    52   0.19450  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33   -38    40   0.62750  1.0 1.0
   49    33   -38    40  -0.30950 -1.0 2.0
   49    33   -38    40   0.27300  1.0 3.0
   49    33    38    41  -1.63150  1.0 1.0
   49    33    38    41  -0.43550 -1.0 2.0
   49    33    38    41   0.24500  1.0 3.0
   49    46    51    52  -0.11600  1.0 1.0
   49    46    51    52  -0.09450 -1.0 2.0
   49    46    51    52   0.21250  1.0 3.0
   50    49    55    56   0.19450  1.0 3.0
   51    46    49    33   0.86500  1.0 1.0
   51    46    49    33  -0.17500 -1.0 2.0
   51    46    49    33   0.20800  1.0 3.0
   51    46    49    50   0.23400  1.0 3.0
   51    46    49    55   3.75450  1.0 1.0
   48    44    46    47   0.23400  1.0 3.0
   48    44    46    49   0.62750  1.0 1.0
   48    44    46    49  -0.30950 -1.0 2.0
   48    44    46    49   0.27300  1.0 3.0
   48    44    46    51   3.69350  1.0 1.0
   48    44    46    51  -1.82950 -1.0 2.0
   48    53    57    58   0.23400  1.0 3.0
   48    53    57    59   1.11900  1.0 1.0
   48    53    57    59  -1.16350 -1.0 2.0
   48    53    57    59  -0.34150  1.0 3.0
   48    53    57    60  -3.35100  1.0 1.0
   48    53    57    60  -0.37050 -1.0 2.0
   48    53    57    60   0.22400  1.0 3.0
   48    53    69    65   0.62750  1.0 1.0
   48    53    69    65  -0.30950 -1.0 2.0
   48    53    69    65   0.27300  1.0 3.0
   48    53    69    70   0.23400  1.0 3.0
   48    53    69    73   3.69350  1.0 1.0
   48    53    69    73  -1.82950 -1.0 2.0
   53    57    59    63   0.06250  1.0 1.0
   53    57    59    63  -0.01100 -1.0 2.0
   53    57    59    63   0.28050  1.0 3.0
   53    57    60    61   0.41150 -1.0 2.0
   53    57    60    62   0.41150 -1.0 2.0
   53    69    73    74  -0.11600  1.0 1.0
   53    69    73    74  -0.09450 -1.0 2.0
   53    69    73    74   0.21250  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.23400  1.0 3.0
   54    53    57    60  -0.11250  1.0 3.0
   54    53    69    65   0.15000  1.0 3.0
   54    53    69    70   0.15000  1.0 3.0
   54    53    69    73   0.23400  1.0 3.0
   57    53    69    65   0.56750  1.0 1.0
   57    53    69    65  -0.07550 -1.0 2.0
   57    53    69    65   0.20000  1.0 3.0
   57    53    69    70   0.15000  1.0 3.0
   57    53    69    73   0.86500  1.0 1.0
   57    53    69    73  -0.17500 -1.0 2.0
   57    53    69    73   0.20800  1.0 3.0
   57    59    63    64   0.37050  1.0 3.0
   57    59   -63    65   0.06250  1.0 1.0
   57    59   -63    65  -0.01100 -1.0 2.0
   57    59   -63    65   0.28050  1.0 3.0
   57    59    63    67  -0.81800  1.0 1.0
   58    57    59    63   0.37050  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   59    57    60    61   0.30150 -1.0 2.0
   59    57    60    62   0.30150 -1.0 2.0
   59    63    65    66   0.23400  1.0 3.0
   59    63    65    69   0.62750  1.0 1.0
   59    63    65    69  -0.30950 -1.0 2.0
   59    63    65    69   0.27300  1.0 3.0
   59    63    65    71   3.69350  1.0 1.0
   59    63    65    71  -1.82950 -1.0 2.0
   59    63    67    68  -0.50000  1.0 1.0
   59    63    67    68  -0.73950 -1.0 2.0
   59    63    67    68   0.17150  1.0 3.0
   63    65   -69    53   3.97050  1.0 1.0
   63    65    69    70   0.15000  1.0 3.0
   63    65    69    73   0.86500  1.0 1.0
   63    65    69    73  -0.17500 -1.0 2.0
   63    65    69    73   0.20800  1.0 3.0
   63    65    71    72  -0.11600  1.0 1.0
   63    65    71    72  -0.09450 -1.0 2.0
   63    65    71    72   0.21250  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    71   0.23400  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    63    67    68  -0.11600  1.0 1.0
   65    63    67    68  -0.09450 -1.0 2.0
   65    63    67    68   0.21250  1.0 3.0
   65    69    73    74  -0.11600  1.0 1.0
   65    69    73    74  -0.09450 -1.0 2.0
   65    69    73    74   0.21250  1.0 3.0
   66    65    69    53   0.15000  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.23400  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    53    57    58   0.15000  1.0 3.0
   69    53   -57    59   0.62750  1.0 1.0
   69    53   -57    59  -0.30950 -1.0 2.0
   69    53   -57    59   0.27300  1.0 3.0
   69    53    57    60  -1.63150  1.0 1.0
   69    53    57    60  -0.43550 -1.0 2.0
   69    53    57    60   0.24500  1.0 3.0
   69    65    71    72  -0.11600  1.0 1.0
   69    65    71    72  -0.09450 -1.0 2.0
   69    65    71    72   0.21250  1.0 3.0
   70    69    73    74   0.19450  1.0 3.0
   71    65    69    53   0.86500  1.0 1.0
   71    65    69    53  -0.17500 -1.0 2.0
   71    65    69    53   0.20800  1.0 3.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73   3.75450  1.0 1.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    69   0.86500  1.0 1.0
   67    63    65    69  -0.17500 -1.0 2.0
   67    63    65    69   0.20800  1.0 3.0
   67    63    65    71   3.75450  1.0 1.0
   60    57    59    63  -1.11000  1.0 1.0
   60    57    59    63   0.50250 -1.0 2.0
   60    57    59    63   0.47450  1.0 3.0
   41    38    40    44  -1.11000  1.0 1.0
   41    38    40    44   0.50250 -1.0 2.0
   41    38    40    44   0.47450  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
   36    30    35    37  10.50000 -1.0 2.0
   61    57    60    62  10.50000 -1.0 2.0
   42    38    41    43  10.50000 -1.0 2.0
END
