* LIGAND DATABASE FILE (OPLS2005)
*
001      69    70    120    186     351
    1     0 S   NP   _N1_     1    28.79107    94.29197   -20.52357
    2     1 S   H    _HN1     2     1.02952    96.39076    27.93897
    3     1 S   H    _H1_     3     1.02846    30.82572   140.98776
    4     1 S   H    _H2_     4     1.02790    84.64639   -79.86049
    5     1 S   CT   _CA1     5     1.50091   140.34036   161.45861
    6     5 S   HC   _HA1     6     1.09584   105.26699    48.45746
    7     5 S   CO3  _C1_     7     1.53774   112.07632   -71.66357
    8     7 S   O2Z  _O11     8     1.26337   115.15975   -53.67126
    9     7 S   O2Z  _O12     9     1.26216   114.85089   125.43912
   10     5 S   CT   _CB1    10     1.53070   107.41110   166.10485
   11    10 S   HC   HB11    11     1.09824   109.34518   -51.83536
   12    10 S   HC   HB12    12     1.09823   110.46524    64.66227
   13    10 S   CT   _CG1    13     1.53030   112.64749  -172.97373
   14    13 S   HC   HG11    14     1.09549   110.36327   -60.49285
   15    13 S   HC   HG12    15     1.09625   110.16244    58.66448
   16    13 S   C    _CD1    16     1.51803   111.98975   178.78824
   17    16 S   O    _OE1    17     1.22754   123.10040   -11.17641
   18    16 S   N    _N2_    18     1.38588   111.86829   169.43284
   19    18 S   H    _HN2    19     1.01597   119.11666     0.64921
   20    18 S   CT1  _CA2    20     1.46274   123.25045  -178.39819
   21    20 S   HC   _HA2    21     1.09729   109.35293   -13.68836
   22    20 S   C    _C2_    22     1.53386   108.43804  -129.47104
   23    22 S   O    _O2_    23     1.23016   122.21887  -146.34329
   24    20 S   CT   _CB2    32     1.53425   111.35226   108.32366
   25    24 S   HC   HB21    33     1.09428   109.48711    57.60910
   26    24 S   HC   HB22    34     1.09520   110.66072   175.64427
   27    22 S   N    _N3_    24     1.38502   113.37670    41.04962
   28    27 S   H    _HN3    25     1.01528   118.90564    -0.62807
   29    24 S   S    _SG2    35     1.82932   111.64581   -65.16146
   30    27 S   CT   _CA3    26     1.45449   123.45910   175.12135
   31    30 S   HC   HA31    27     1.09522   109.24759    24.14115
   32    30 S   HC   HA32    28     1.09496   107.11825   141.14730
   33    29 S   CT   _C11    36     1.84898   100.18922   145.52040
   34    33 S   HC   _H3_    37     1.09734   106.37050    47.41010
   35    30 S   CO3  _C3_    29     1.52924   113.11142   -99.34371
   36    35 S   O2Z  _O31    30     1.26403   115.40523   -44.39180
   37    35 S   O2Z  _O32    31     1.26355   114.98255   136.54376
   38    33 S   CA   _C8_    38     1.52405   110.79492   -70.39671
   39    33 S   CT   _C12    53     1.55510   111.18003   165.08208
   40    39 S   HC   _H4_    54     1.09746   110.69245    67.09243
   41    38 S   CA   _C7_    39     1.40192   119.56730   121.47717
   42    41 S   HA   _H9_    40     1.08748   120.50696    -0.43160
   43    39 S   CA   _C13    55     1.51692   114.32381   -56.84113
   44    39 S   OH   _O36    68     1.43414   109.74539  -175.77247
   45    44 S   HO   _H16    69     0.97246   107.66559   -68.73096
   46    41 S   CA   _C6_    41     1.39642   120.69550   179.59122
   47    46 S   HA   _H8_    42     1.08747   119.23815   179.90309
   48    43 S   CA   _C14    56     1.40421   119.93375   117.16359
   49    48 S   HA   _H12    57     1.08770   120.31404     0.08156
   50    46 S   CA   _C5_    43     1.39696   120.64734    -0.05234
   51    48 S   CA   _C15    58     1.39643   120.82977  -179.57067
   52    51 S   HA   _H13    59     1.08660   118.78603   179.51221
   53    50 S   CA   _C10    44     1.39517   119.14676    -0.29475
   54    53 S   HA   _H11    45     1.08579   121.89335  -179.71333
   55    50 S   OS   _O33    48     1.36921   114.91323  -179.93744
   56    51 S   CA   _C16    60     1.39686   119.25198    -0.08393
   57    38 S   CA   _C9_    46     1.40344   122.12533   -59.50444
   58    57 S   HA   _H10    47     1.08781   120.59648     0.51358
   59    55 S   CT   _C4_    49     1.42284   116.70617  -176.54498
   60    59 S   HC   _H5_    50     1.09426   107.75182   178.92516
   61    59 S   HC   _H6_    51     1.09405   110.95590    61.27172
   62    59 S   HC   _H7_    52     1.09488   111.21053   -63.28993
   63    56 S   CA   _C17    61     1.39677   120.99520    -0.09487
   64    63 S   HA   _H14    62     1.08656   121.97347  -179.50584
   65    56 S   NO2  _N4_    65     1.45849   119.50456   179.94065
   66    65 S   ON   _O35    66     1.23867   117.69896    20.37446
   67    65 S   ON   _O34    67     1.23867   117.69187  -159.61717
   68    43 S   CA   _C18    63     1.40495   121.22000   -62.66593
   69    68 S   HA   _H15    64     1.08760   120.24382    -0.70471
  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
  15   7   2   1   1  13  12   5   8   4  11   3   1   7   3   8
   4   9   8   3   5   3   5   7   1   1   3   2   1   1   6   3
   3   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    57    39    40    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    53    57    58    39    40    43    48    68    44    45  
   38    41    57    39    40    43    44  
   36    37  
   37  
    0  
   41    42    46    47    50    53    54    57    58    39    40    43    44  
   40    43    48    49    51    63    68    69    44    45    41    57  
   43    48    68    44    45  
   42    46    47    50    53    57    58    55  
   46    47    50    57  
   48    49    51    52    56    63    64    68    69    44    45  
   45    48    68  
    0  
   47    50    53    54    57    55    59  
   50    53    55  
   49    51    52    56    63    68    69    65  
   51    52    56    68  
   53    54    57    58    55    59    60    61    62  
   52    56    63    64    68    65    66    67  
   56    63    65  
   54    57    58    55    59  
   57    58    55  
   59    60    61    62    57  
   63    64    68    69    65    66    67  
   58  
    0  
   60    61    62  
   61    62  
   62  
    0  
   64    68    69    65    66    67  
   68    69    65  
   66    67    68  
   67  
    0  
   69  
    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   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   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   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   66   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   67   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   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
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    39   268.000  1.529
   38    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    53   469.000  1.400
   50    55   450.000  1.364
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   55    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   39    40   340.000  1.090
   39    43   317.000  1.510
   39    44   320.000  1.410
   43    48   469.000  1.400
   43    68   469.000  1.400
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    63   469.000  1.400
   56    65   400.000  1.460
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    69   367.000  1.080
   65    66   550.000  1.225
   65    67   550.000  1.225
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    70.00000  112.17500
   33    39    44    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    63.00000  120.00000
   38    57    53    63.00000  120.00000
   38    57    58    35.00000  120.00000
   41    46    47    35.00000  120.00000
   41    46    50    63.00000  120.00000
   46    41    42    35.00000  120.00000
   46    50    53    63.00000  120.00000
   46    50    55    70.00000  120.00000
   50    46    47    35.00000  120.00000
   50    53    54    35.00000  120.00000
   50    53    57    63.00000  120.00000
   50    55    59    75.00000  111.00000
   53    57    58    35.00000  120.00000
   57    38    41    63.00000  120.00000
   57    53    54    35.00000  120.00000
   55    50    53    70.00000  120.00000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    48    70.00000  120.00000
   39    43    68    70.00000  120.00000
   39    44    45    55.00000  108.50000
   43    39    40    35.00000  109.50000
   43    48    49    35.00000  120.00000
   43    48    51    63.00000  120.00000
   43    68    63    63.00000  120.00000
   43    68    69    35.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    56    63.00000  120.00000
   51    48    49    35.00000  120.00000
   51    56    63    63.00000  120.00000
   51    56    65    85.00000  120.00000
   56    51    52    35.00000  120.00000
   56    63    64    35.00000  120.00000
   56    63    68    63.00000  120.00000
   56    65    66    80.00000  117.50000
   56    65    67    80.00000  117.50000
   63    68    69    35.00000  120.00000
   68    43    48    63.00000  120.00000
   68    63    64    35.00000  120.00000
   65    56    63    85.00000  120.00000
   67    65    66    80.00000  125.30000
   44    39    40    35.00000  109.50000
   44    39    43    90.00000  112.51600
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    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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    57    53   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    48   0.04150 -1.0 2.0
   33    39    43    68   0.04150 -1.0 2.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.43200  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43  -0.94300  1.0 1.0
   38    33    39    43   1.32550 -1.0 2.0
   38    33    39    43  -0.07100  1.0 3.0
   38    33    39    44   1.13150  1.0 1.0
   38    33    39    44  -1.01400 -1.0 2.0
   38    41    46    47   3.62500 -1.0 2.0
   38    41    46    50   3.62500 -1.0 2.0
   41    38    57    53   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    46   -50    53   3.62500 -1.0 2.0
   41    46    50    55   3.62500 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    50   3.62500 -1.0 2.0
   46    50    53    54   3.62500 -1.0 2.0
   46    50    53    57   3.62500 -1.0 2.0
   46    50    55    59   1.63200 -1.0 2.0
   47    46    50    53   3.62500 -1.0 2.0
   47    46    50    55   3.62500 -1.0 2.0
   50    53   -57    38   3.62500 -1.0 2.0
   50    53    57    58   3.62500 -1.0 2.0
   50    55    59    60   0.08050  1.0 3.0
   50    55    59    61   0.08050  1.0 3.0
   50    55    59    62   0.08050  1.0 3.0
   53    50    55    59   1.63200 -1.0 2.0
   54    53    57    38   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    46   3.62500 -1.0 2.0
   55    50    53    54   3.62500 -1.0 2.0
   55    50    53    57   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    57   0.04150 -1.0 2.0
   39    43    48    49   3.62500 -1.0 2.0
   39    43    48    51   3.62500 -1.0 2.0
   39    43    68    63   3.62500 -1.0 2.0
   39    43    68    69   3.62500 -1.0 2.0
   40    39    43    48   0.00000  1.0 1.0
   40    39    43    68   0.00000  1.0 1.0
   40    39    44    45   0.19450  1.0 3.0
   43    39    44    45   0.31900  1.0 1.0
   43    39    44    45  -0.11800 -1.0 2.0
   43    39    44    45   0.38750  1.0 3.0
   43    48    51    52   3.62500 -1.0 2.0
   43    48    51    56   3.62500 -1.0 2.0
   48    43    68    63   3.62500 -1.0 2.0
   48    43    68    69   3.62500 -1.0 2.0
   48    51   -56    63   3.62500 -1.0 2.0
   48    51    56    65   3.62500 -1.0 2.0
   49    48    51    52   3.62500 -1.0 2.0
   49    48    51    56   3.62500 -1.0 2.0
   51    56    63    64   3.62500 -1.0 2.0
   51    56    63    68   3.62500 -1.0 2.0
   51    56    65    66   0.69950 -1.0 2.0
   51    56    65    67   0.69950 -1.0 2.0
   52    51    56    63   3.62500 -1.0 2.0
   52    51    56    65   3.62500 -1.0 2.0
   56    63   -68    43   3.62500 -1.0 2.0
   56    63    68    69   3.62500 -1.0 2.0
   63    56    65    66   0.69950 -1.0 2.0
   63    56    65    67   0.69950 -1.0 2.0
   64    63    68    43   3.62500 -1.0 2.0
   64    63    68    69   3.62500 -1.0 2.0
   68    43    48    49   3.62500 -1.0 2.0
   68    43   -48    51   3.62500 -1.0 2.0
   65    56    63    64   3.62500 -1.0 2.0
   65    56    63    68   3.62500 -1.0 2.0
   44    39    43    48   0.14300 -1.0 2.0
   44    39    43    48   0.00300  1.0 3.0
   44    39    43    68   0.14300 -1.0 2.0
   44    39    43    68   0.00300  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
   41    57    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   50    47    46    41   1.10000 -1.0 2.0
   53    55    50    46   4.00000 -1.0 2.0
   57    54    53    50   1.10000 -1.0 2.0
   53    58    57    38   1.10000 -1.0 2.0
   48    68    43    39   4.00000 -1.0 2.0
   51    49    48    43   1.10000 -1.0 2.0
   56    52    51    48   1.10000 -1.0 2.0
   63    65    56    51   4.00000 -1.0 2.0
   68    64    63    56   1.10000 -1.0 2.0
   63    69    68    43   1.10000 -1.0 2.0
   66    56    65    67  10.50000 -1.0 2.0
END
