* LIGAND DATABASE FILE (OPLS2005)
*
001      72    76    135    229     403
    1     0 S   NP   _N1_     1    29.64085   101.09429   -20.34726
    2     1 S   H    _HN1     2     1.02945    40.16592   -10.11538
    3     1 S   H    _H1_     3     1.02819    70.81985   143.55598
    4     1 S   H    _H2_     4     1.02798   104.06347  -112.05391
    5     1 S   CT   _CA1     5     1.50153   140.49233    43.90183
    6     5 S   HC   _HA1     6     1.09573   105.15833   143.97731
    7     5 S   CO3  _C1_     7     1.53782   112.32994    23.75076
    8     7 S   O2Z  _O11     8     1.26389   115.00005   -44.57408
    9     7 S   O2Z  _O12     9     1.26222   114.95726   134.24013
   10     5 S   CT   _CB1    10     1.53034   107.35360   -98.06580
   11    10 S   HC   HB11    11     1.09849   109.40205   -48.72724
   12    10 S   HC   HB12    12     1.09810   110.46663    67.87160
   13    10 S   CT   _CG1    13     1.53021   112.63734  -169.59794
   14    13 S   HC   HG11    14     1.09542   110.75851   -67.01639
   15    13 S   HC   HG12    15     1.09658   109.69189    52.22199
   16    13 S   C    _CD1    16     1.51809   111.70772   172.83475
   17    16 S   O    _OE1    17     1.22786   123.09930    16.44352
   18    16 S   N    _N2_    18     1.38522   112.04478  -163.63901
   19    18 S   H    _HN2    19     1.01764   119.13281    -1.34100
   20    18 S   CT1  _CA2    20     1.46210   123.61326   178.17651
   21    20 S   HC   _HA2    21     1.09735   108.98973    14.47229
   22    20 S   C    _C2_    22     1.53756   109.78401  -101.53897
   23    22 S   O    _O2_    23     1.23148   121.98361  -151.24181
   24    20 S   CT   _CB2    32     1.53402   111.39770   136.12653
   25    24 S   HC   HB21    33     1.09463   109.99872    62.12076
   26    24 S   HC   HB22    34     1.09548   110.37306   179.75691
   27    22 S   N    _N3_    24     1.38242   114.28920    36.31176
   28    27 S   H    _HN3    25     1.01493   119.72182    -3.41214
   29    24 S   S    _SG2    35     1.82787   111.61851   -61.34614
   30    27 S   CT   _CA3    26     1.45284   123.24753   177.14624
   31    30 S   HC   HA31    27     1.09550   107.54724   -63.72373
   32    30 S   HC   HA32    28     1.09558   107.94017    52.70413
   33    29 S   CT   _C20    36     1.87610   100.19773   137.25428
   34    33 S   HC   _H3_    37     1.09701   107.55350    29.22171
   35    30 S   CO3  _C3_    29     1.52976   114.11107   174.69529
   36    35 S   O2Z  _O31    30     1.26379   116.13209     0.11535
   37    35 S   O2Z  _O32    31     1.26438   114.40059  -179.85873
   38    33 S   CA   _C12    38     1.53717   107.27802   144.77484
   39    38 S   CA   _C13    39     1.42550   121.59910   -75.65495
   40    38 S   CA   _C11    59     1.41433   119.66021   102.27499
   41    39 S   CM   _C19    40     1.48413   122.82465    -3.35042
   42    41 S   HC   _H14    41     1.08222   119.82226    -0.62370
   43    40 S   CT   _C23    60     1.51669   123.54910     6.14101
   44    43 S   HC   _H6_    61     1.09773   108.44675  -135.41971
   45    39 S   CR3  _C14    71     1.42490   120.70869   176.70230
   46    41 S   CM   _C18    42     1.34116   122.05958   179.50981
   47    46 S   HC   _H13    43     1.08475   120.55539  -180.00000
   48    43 S   CT   _C22    62     1.53345   115.41152   -12.44128
   49    48 S   HC   _H5_    63     1.09914   109.03048   159.45922
   50    43 S   OH   _O33    69     1.43174   106.65231   108.78005
   51    50 S   HO   _H15    70     0.97224   107.38599   176.05956
   52    53 S   CR3  _C15    72     1.40901   118.85741     0.21306
   53    46 S   CA   _C16    44     1.46565   120.68293     0.17017
   54    33 S   CT   _C21    64     1.56852   116.50747   -89.68736
   55    54 S   OM   _O35    65     1.32530   111.39554    50.96109
   56    54 S   HC   _H4_    66     1.10330   104.43003   177.48799
   57    48 S   OH   _O34    67     1.42828   108.17061   -85.44230
   58    57 S   HO   _H16    68     0.97380   105.93399   161.66652
   59    53 S   CA   _C17    45     1.39916   120.46568  -179.92338
   60    59 S   HA   _H12    46     1.08718   120.81443     0.12820
   61    59 S   CA   _C4_    47     1.39212   120.03050  -179.84934
   62    61 S   HA   _H7_    48     1.08634   119.98802   180.00000
   63    61 S   CA   _C5_    49     1.39419   120.06653     0.01978
   64    63 S   HA   _H8_    50     1.08805   118.78177   179.96574
   65    63 S   CA   _C6_    51     1.40388   120.66875    -0.02798
   66    65 S   CA   _C7_    52     1.39801   121.19750   180.00000
   67    66 S   HA   _H9_    53     1.08783   120.71685    -0.03426
   68    66 S   CA   _C8_    54     1.39379   120.43821  -180.00000
   69    68 S   HA   _H10    55     1.08828   118.61702   179.89721
   70    68 S   CA   _C9_    56     1.40202   120.85608    -0.08623
   71    70 S   CA   _C10    57     1.39739   120.70686   179.70859
   72    71 S   HA   _H11    58     1.09016   119.36695    -0.80673
  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   9   5   4   3
  14   7   2   1   1  17  14  14   8   4  13   7  12   7   3   9
   6   4   1  12   8   4   2   1   1   1   6   3   5   3   5   2
   5   5   3   4   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    54    55    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    71    40    43    48    49    54    55    56    57    45  
   38    39    40    48    54    55    56  
   36    37  
   37  
    0  
   39    41    42    46    70    71    72    40    43    44    48    54    55    56    50    45    52  
   41    42    46    47    53    65    68    70    71    40    43    54    45    52  
   43    44    48    49    54    57    50    51    45    41    68    70    71    72  
   42    46    47    53    59    70    45    52  
   46    47    53    45  
   44    48    49    54    55    56    57    58    50    51    70    71    72  
   48    49    54    57    50    51    71  
   52    46    53    59    63    65    66    68    69    70    71    72  
   47    53    59    60    61    65    52  
   53    59    52  
   49    54    55    56    57    58    50    51    71  
   54    55    56    57    58    50  
   51    54    57    71  
    0  
   53    59    60    61    63    64    65    66    67    68    70    71  
   59    60    61    62    63    65    66    70  
   55    56    57    58  
   56    57  
   57  
   58  
    0  
   60    61    62    63    64    65  
   61    62    63  
   62    63    64    65    66  
   63    64    65  
   64    65    66    67    68  
   65    66  
   66    67    68    69    70  
   67    68    69    70    71  
   68    69    70  
   69    70    71    72  
   70    71  
   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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   56   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    54   268.000  1.529
   38    39   469.000  1.400
   38    40   469.000  1.400
   39    41   320.000  1.460
   39    45   490.000  1.398
   41    42   340.000  1.080
   41    46   549.000  1.340
   46    47   340.000  1.080
   46    53   320.000  1.460
   53    59   469.000  1.400
   53    52   490.000  1.398
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   469.000  1.400
   65    52   490.000  1.398
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    45   490.000  1.398
   71    72   367.000  1.080
   71    40   469.000  1.400
   40    43   317.000  1.510
   43    44   340.000  1.090
   43    48   268.000  1.529
   43    50   320.000  1.410
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    57   320.000  1.410
   54    55   570.000  1.307
   54    56   340.000  1.090
   57    58   553.000  0.945
   50    51   553.000  0.945
   45    52   490.000  1.398
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    80.00000  109.48900
   29    33    54    75.00000  111.63000
   33    38    39    70.00000  120.00000
   33    38    40    70.00000  120.00000
   33    54    48    58.35000  112.70000
   33    54    55    50.00000  109.50000
   33    54    56    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    41    60.00000  120.93500
   38    39    45    70.00000  112.88000
   38    40    71    63.00000  120.00000
   38    40    43    70.00000  120.00000
   39    41    42    40.00000  117.26300
   39    41    46    60.00000  123.20500
   39    45    70    60.00000  130.80000
   39    45    52    60.00000  130.80000
   41    46    47    35.00000  120.00000
   41    46    53    60.00000  123.20500
   46    41    42    35.00000  120.00000
   46    53    59    60.00000  120.93500
   46    53    52    60.00000  120.93500
   53    46    47    40.00000  117.26300
   53    59    60    35.00000  120.00000
   53    59    61    63.00000  120.00000
   53    52    65    60.00000  130.80000
   53    52    45    60.00000  130.80000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    63.00000  120.00000
   63    65    52    70.00000  112.88000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    68    63.00000  120.00000
   65    52    45    60.00000  130.80000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    63.00000  120.00000
   68    70    45    70.00000  112.88000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    40    63.00000  120.00000
   70    45    52    60.00000  130.80000
   71    40    43    70.00000  120.00000
   40    38    39    63.00000  120.00000
   40    71    72    35.00000  120.00000
   40    43    44    35.00000  109.50000
   40    43    48    70.00000  112.17500
   40    43    50    90.00000  112.51600
   43    48    49    37.50000  110.70000
   43    48    54    58.35000  112.70000
   43    48    57    50.00000  109.50000
   43    50    51    55.00000  108.50000
   48    43    44    37.50000  110.70000
   48    54    55    50.00000  109.50000
   48    54    56    37.50000  110.70000
   48    57    58    55.00000  108.50000
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.17500
   54    48    49    37.50000  110.70000
   56    54    55    45.00000  125.66300
   57    48    49    35.00000  109.50000
   57    48    54    50.00000  109.50000
   50    43    44    35.00000  109.50000
   50    43    48    50.00000  109.50000
   45    39    41    60.00000  120.93500
   45    70    71    70.00000  112.88000
   52    53    59    70.00000  112.88000
   52    65    66    70.00000  112.88000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    54    48   0.44750  1.0 1.0
   29    33    54    48  -0.17800 -1.0 2.0
   29    33    54    48   0.20200  1.0 3.0
   29    33    54    55   0.56750  1.0 1.0
   29    33    54    55  -0.07550 -1.0 2.0
   29    33    54    55   0.20000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   33    38    39    41   3.62500 -1.0 2.0
   33    38    39    45   3.62500 -1.0 2.0
   33    38    40    71   3.62500 -1.0 2.0
   33    38    40    43   3.62500 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    54    48   0.15000  1.0 3.0
   34    33    54    55   0.23400  1.0 3.0
   34    33    54    56   0.15000  1.0 3.0
   38    33    54    48  -0.03700  1.0 1.0
   38    33    54    48   0.37200 -1.0 2.0
   38    33    54    48  -0.47300  1.0 3.0
   38    33    54    55  -0.64350  1.0 1.0
   38    33    54    55  -0.04200 -1.0 2.0
   38    33    54    55   0.19800  1.0 3.0
   38    33    54    56   0.43200  1.0 3.0
   38    39    41    42   0.56550  1.0 3.0
   38    39    41    46   0.15800  1.0 1.0
   38    39    41    46   1.85350 -1.0 2.0
   38    39    41    46  -0.48700  1.0 3.0
   38    39    45    70   3.62500 -1.0 2.0
   38    39    45    52   3.62500 -1.0 2.0
   38    40    43    44   0.00000  1.0 1.0
   38    40   -43    48   0.04150 -1.0 2.0
   38    40    43    50   0.14300 -1.0 2.0
   38    40    43    50   0.00300  1.0 3.0
   39    38    40    71   3.62500 -1.0 2.0
   39    38    40    43   3.62500 -1.0 2.0
   39    41    46    47   7.00000 -1.0 2.0
   39    41    46    53   7.00000 -1.0 2.0
   39    45   -52    53   3.62500 -1.0 2.0
   39    45    52    65   3.62500 -1.0 2.0
   41    39    45    70   3.62500 -1.0 2.0
   41    39    45    52   3.62500 -1.0 2.0
   41    46    53    59   0.15800  1.0 1.0
   41    46    53    59   1.85350 -1.0 2.0
   41    46    53    59  -0.48700  1.0 3.0
   41    46   -53    52   0.15800  1.0 1.0
   41    46   -53    52   1.85350 -1.0 2.0
   41    46   -53    52  -0.48700  1.0 3.0
   42    41    46    47   7.00000 -1.0 2.0
   42    41    46    53   7.00000 -1.0 2.0
   46    53    59    60   3.62500 -1.0 2.0
   46    53    59    61   3.62500 -1.0 2.0
   46    53    52    65   3.62500 -1.0 2.0
   46    53    52    45   3.62500 -1.0 2.0
   47    46    53    59   0.56550  1.0 3.0
   47    46    53    52   0.56550  1.0 3.0
   53    59    61    62   3.62500 -1.0 2.0
   53    59    61    63   3.62500 -1.0 2.0
   59    53    52    65   3.62500 -1.0 2.0
   59    53    52    45   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   59    61   -63    65   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   61    63    65    52   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    66    67   3.62500 -1.0 2.0
   63    65    66    68   3.62500 -1.0 2.0
   63    65   -52    53   3.62500 -1.0 2.0
   63    65    52    45   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    52   3.62500 -1.0 2.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66    68    70   3.62500 -1.0 2.0
   66    65    52    53   3.62500 -1.0 2.0
   66    65    52    45   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68   -70    45   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   68    70    71    40   3.62500 -1.0 2.0
   68    70    45    39   3.62500 -1.0 2.0
   68    70    45    52   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    45   3.62500 -1.0 2.0
   70    71   -40    38   3.62500 -1.0 2.0
   70    71    40    43   3.62500 -1.0 2.0
   70    45    52    53   3.62500 -1.0 2.0
   70    45   -52    65   3.62500 -1.0 2.0
   71    70   -45    39   3.62500 -1.0 2.0
   71    70    45    52   3.62500 -1.0 2.0
   71    40    43    44   0.00000  1.0 1.0
   71    40    43    48   0.04150 -1.0 2.0
   71    40    43    50   0.14300 -1.0 2.0
   71    40    43    50   0.00300  1.0 3.0
   72    71    40    38   3.62500 -1.0 2.0
   72    71    40    43   3.62500 -1.0 2.0
   40    38    39    41   3.62500 -1.0 2.0
   40    38    39    45   3.62500 -1.0 2.0
   40    43    48    49   0.43200  1.0 3.0
   40    43    48    54  -0.03700  1.0 1.0
   40    43    48    54   0.37200 -1.0 2.0
   40    43    48    54  -0.47300  1.0 3.0
   40    43    48    57   1.13150  1.0 1.0
   40    43    48    57  -1.01400 -1.0 2.0
   40    43    50    51   0.31900  1.0 1.0
   40    43    50    51  -0.11800 -1.0 2.0
   40    43    50    51   0.38750  1.0 3.0
   43    48   -54    33   0.56750  1.0 1.0
   43    48   -54    33  -0.07550 -1.0 2.0
   43    48   -54    33   0.20000  1.0 3.0
   43    48    54    55   0.62750  1.0 1.0
   43    48    54    55  -0.30950 -1.0 2.0
   43    48    54    55   0.27300  1.0 3.0
   43    48    54    56   0.15000  1.0 3.0
   43    48    57    58  -0.11600  1.0 1.0
   43    48    57    58  -0.09450 -1.0 2.0
   43    48    57    58   0.21250  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    54   0.15000  1.0 3.0
   44    43    48    57   0.23400  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   48    43    50    51  -0.11600  1.0 1.0
   48    43    50    51  -0.09450 -1.0 2.0
   48    43    50    51   0.21250  1.0 3.0
   49    48    54    33   0.15000  1.0 3.0
   49    48    54    55   0.23400  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   49    48    57    58   0.19450  1.0 3.0
   54    33    38    39   0.04150 -1.0 2.0
   54    33   -38    40   0.04150 -1.0 2.0
   54    48    57    58  -0.11600  1.0 1.0
   54    48    57    58  -0.09450 -1.0 2.0
   54    48    57    58   0.21250  1.0 3.0
   57    48    54    33   0.86500  1.0 1.0
   57    48    54    33  -0.17500 -1.0 2.0
   57    48    54    33   0.20800  1.0 3.0
   57    48    54    55   3.69350  1.0 1.0
   57    48    54    55  -1.82950 -1.0 2.0
   57    48    54    56   0.23400  1.0 3.0
   50    43    48    49   0.23400  1.0 3.0
   50    43    48    54   0.86500  1.0 1.0
   50    43    48    54  -0.17500 -1.0 2.0
   50    43    48    54   0.20800  1.0 3.0
   50    43    48    57   3.75450  1.0 1.0
   45    39    41    42   0.56550  1.0 3.0
   45    39   -41    46   0.15800  1.0 1.0
   45    39   -41    46   1.85350 -1.0 2.0
   45    39   -41    46  -0.48700  1.0 3.0
   45    70    71    72   3.62500 -1.0 2.0
   45    70   -71    40   3.62500 -1.0 2.0
   52    53    59    60   3.62500 -1.0 2.0
   52    53   -59    61   3.62500 -1.0 2.0
   52    65    66    67   3.62500 -1.0 2.0
   52    65   -66    68   3.62500 -1.0 2.0
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
   39    40    38    33   4.00000 -1.0 2.0
   41    45    39    38   4.00000 -1.0 2.0
   39    42    41    46   1.10000 -1.0 2.0
   53    47    46    41   1.10000 -1.0 2.0
   59    52    53    46   4.00000 -1.0 2.0
   61    60    59    53   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   66    52    65    63   4.00000 -1.0 2.0
   68    67    66    65   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   71    45    70    68   4.00000 -1.0 2.0
   40    72    71    70   1.10000 -1.0 2.0
   71    43    40    38   4.00000 -1.0 2.0
   70    52    45    39   4.00000 -1.0 2.0
   65    45    52    53   4.00000 -1.0 2.0
END
