* LIGAND DATABASE FILE (OPLS2005)
*
001      67    69    121    179     344
    1     0 S   NP   _N1_     1    28.99452    96.78771   -20.20145
    2     1 S   H    _HN1     2     1.02954    77.89439    27.62251
    3     1 S   H    _H1_     3     1.02830    46.40379   155.90053
    4     1 S   H    _H2_     4     1.02781    84.17760   -82.56490
    5     1 S   CT   _CA1     5     1.50093   156.58141   141.39194
    6     5 S   HC   _HA1     6     1.09573   105.24578    70.42714
    7     5 S   CO3  _C1_     7     1.53713   112.32843   -49.86250
    8     7 S   O2Z  _O11     8     1.26352   115.00824   -46.00864
    9     7 S   O2Z  _O12     9     1.26215   114.92888   133.03602
   10     5 S   CT   _CB1    10     1.53042   107.42927  -171.63243
   11    10 S   HC   HB11    11     1.09829   109.34216   -50.57923
   12    10 S   HC   HB12    12     1.09819   110.47104    65.99682
   13    10 S   CT   _CG1    13     1.52983   112.61365  -171.61386
   14    13 S   HC   HG11    14     1.09608   110.54998   -64.61058
   15    13 S   HC   HG12    15     1.09658   109.93117    54.66956
   16    13 S   C    _CD1    16     1.51781   112.14879   175.06001
   17    16 S   O    _OE1    17     1.22733   123.28858     2.77425
   18    16 S   N    _N2_    18     1.38587   111.66762  -177.49657
   19    18 S   H    _HN2    19     1.01611   119.00074     1.55683
   20    18 S   CT1  _CA2    20     1.46280   123.35526   179.73386
   21    20 S   HC   _HA2    21     1.09733   109.40275    -8.33414
   22    20 S   C    _C2_    22     1.53378   108.51751  -123.91477
   23    22 S   O    _O2_    23     1.23028   122.35633  -148.62001
   24    20 S   CT   _CB2    32     1.53315   111.19897   113.71498
   25    24 S   HC   HB21    33     1.09394   109.31682    56.03815
   26    24 S   HC   HB22    34     1.09495   110.70837   174.58130
   27    22 S   N    _N3_    24     1.38360   113.49043    38.94634
   28    27 S   H    _HN3    25     1.01637   119.50617    -3.64132
   29    24 S   S    _SG2    35     1.82996   111.07730   -66.06951
   30    27 S   CT   _CA3    26     1.45285   123.13271   176.95419
   31    30 S   HC   HA31    27     1.09551   107.54537   -63.54032
   32    30 S   HC   HA32    28     1.09558   107.92740    52.86795
   33    29 S   CT   _C14    36     1.85706   100.68790   155.69015
   34    30 S   CO3  _C3_    29     1.52935   114.12928   174.85627
   35    34 S   O2Z  _O31    30     1.26368   116.05989    -0.10835
   36    34 S   O2Z  _O32    31     1.26429   114.41252   179.94065
   37    33 S   CO4  _C11    37     1.53205   106.77369   -70.44189
   38    37 S   O    _O15    38     1.22966   122.56797   103.83213
   39    33 S   OS   _O21    63     1.43527   111.92545    44.36261
   40    37 S   CA   _C5_    39     1.49163   118.33484   -75.30381
   41    39 S   CT   _C16    64     1.42024   116.70189    74.24264
   42    41 S   HC   _H29    65     1.09373   107.87381  -170.30229
   43    41 S   HC   _H30    66     1.09287   110.84206    72.05790
   44    41 S   HC   _H31    67     1.09302   111.87861   -51.47202
   45    40 S   CA   _C4_    40     1.41539   119.92992   -15.83463
   46    45 S   CA   _C8_    41     1.40703   119.94490   178.66221
   47    45 S   CO4  _C10    54     1.48725   119.69913    -2.14767
   48    47 S   O    _O14    55     1.22826   120.62414   170.27939
   49    46 S   CA   _C6_    42     1.38067   118.54327     0.64619
   50    46 S   OH   _O18    52     1.36480   124.02125   179.90721
   51    50 S   HO   _H32    53     0.97347   109.13519     3.17552
   52    33 S   CT   _C13    56     1.53809   111.18272   171.77102
   53    52 S   HC   _H25    57     1.09764   109.87606   -59.43475
   54    49 S   CA   _C7_    43     1.37302   121.54547    -0.30710
   55    52 S   OS   _O20    58     1.43121   109.05034  -179.82529
   56    40 S   CA   _C9_    44     1.40749   120.23966   163.43525
   57    54 S   OS   _O17    47     1.36203   112.25894   179.62780
   58    55 S   CT   _C15    59     1.42208   113.39019   159.02177
   59    58 S   HC   _H26    60     1.09336   108.15029  -178.08419
   60    58 S   HC   _H27    61     1.09341   110.98554    63.19760
   61    58 S   HC   _H28    62     1.09410   110.58116   -59.47420
   62    56 S   OH   _O19    45     1.36495   124.02123     0.51396
   63    62 S   HO   _H33    46     0.97353   109.09275     4.60636
   64    57 S   CO   _C12    48     1.44022   101.14933    -0.31775
   65    64 S   HC   _H23    49     1.09616   108.59074  -120.18932
   66    64 S   HC   _H24    50     1.09526   108.95591   121.80294
   67    49 S   OS   _O16    51     1.36214   126.20155   179.19449
  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
  16   2   1   1  13   5   9  12   4   2   1   1  13  11   8   3
  10   3   1   6   2   8   4   5   5   3   2   1   1   1   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    52    53    55    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    56    47    48    52    53    55    58    39    41    42    43    44  
   35    36  
   36  
    0  
   38    40    45    46    54    56    62    47    52    53    55    39    41  
   40    45    56    52    39  
   41    42    43    44    40    47    52    53    55  
   45    46    49    54    56    62    63    57    50    47    48    52  
   42    43    44    52  
   43    44  
   44  
    0  
   46    49    54    56    62    67    50    51    47    48    52    53    55  
   49    54    56    57    64    67    50    51    47    48    52  
   48    52    53    55    58    49    50    56  
   52    53    55  
   54    56    62    57    64    65    66    67    50    51  
   51    54    67  
    0  
   53    55    58    59    60    61  
   55    58  
   56    62    63    57    64    65    66    67  
   58    59    60    61  
   62    63    57    64    67  
   64    65    66    67    62  
   59    60    61  
   60    61  
   61  
    0  
   63  
    0  
   65    66    67  
   66    67  
   67  
    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  -0.316400   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   0.396900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   47   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    52   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    45   469.000  1.400
   40    56   469.000  1.400
   45    46   469.000  1.400
   45    47   310.000  1.470
   46    49   469.000  1.400
   46    50   450.000  1.364
   49    54   469.000  1.400
   49    67   450.000  1.364
   54    56   469.000  1.400
   54    57   450.000  1.364
   56    62   450.000  1.364
   62    63   553.000  0.945
   57    64   320.000  1.380
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   320.000  1.380
   50    51   553.000  0.945
   47    48   570.000  1.229
   47    52   317.000  1.522
   52    53   340.000  1.090
   52    55   320.000  1.410
   55    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   39    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    52    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    52    47    63.00000  111.10000
   33    52    53    37.50000  110.70000
   33    52    55    50.00000  109.50000
   33    39    41    60.00000  109.50000
   37    40    45    60.00000  119.52600
   37    40    56    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    45    46    63.00000  120.00000
   40    45    47    60.00000  119.52600
   40    56    54    63.00000  120.00000
   40    56    62    70.00000  120.00000
   45    46    49    63.00000  120.00000
   45    46    50    70.00000  120.00000
   45    47    48    75.00000  123.78400
   45    47    52    65.00000  115.47100
   46    49    54    63.00000  120.00000
   46    49    67    70.00000  120.00000
   46    50    51    35.00000  113.00000
   49    54    56    63.00000  120.00000
   49    54    57    70.00000  120.00000
   49    67    64   100.00000  112.36700
   54    56    62    70.00000  120.00000
   54    57    64   100.00000  112.36700
   56    40    45    63.00000  120.00000
   56    62    63    35.00000  113.00000
   57    54    56    70.00000  120.00000
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    67    92.60000  111.55000
   66    64    65    33.00000  109.50000
   67    49    54    70.00000  120.00000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   50    46    49    70.00000  120.00000
   47    45    46    60.00000  119.52600
   47    52    53    35.00000  109.50000
   47    52    55    90.00000  108.74100
   52    33    37    63.00000  111.10000
   52    47    48    80.00000  120.40000
   52    55    58    60.00000  109.50000
   55    52    53    35.00000  109.50000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    52    50.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    52    47   0.56750  1.0 1.0
   29    33    52    47  -0.07550 -1.0 2.0
   29    33    52    47   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    55   0.56750  1.0 1.0
   29    33    52    55  -0.07550 -1.0 2.0
   29    33    52    55   0.20000  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    37    40    45   2.26350  1.0 1.0
   33    37    40    45   0.76750 -1.0 2.0
   33    37    40    45   0.22500  1.0 3.0
   33    37    40    56   2.26350  1.0 1.0
   33    37    40    56   0.76750 -1.0 2.0
   33    37    40    56   0.22500  1.0 3.0
   33    52    55    58   0.06250  1.0 1.0
   33    52    55    58  -0.01100 -1.0 2.0
   33    52    55    58   0.28050  1.0 3.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    43   0.37050  1.0 3.0
   33    39    41    44   0.37050  1.0 3.0
   37    33    52    47   0.11950  1.0 1.0
   37    33    52    47   0.20300 -1.0 2.0
   37    33    52    47  -0.70800  1.0 3.0
   37    33    52    53  -0.11250  1.0 3.0
   37    33    52    55  -0.09450  1.0 1.0
   37    33    52    55  -1.12950 -1.0 2.0
   37    33    52    55   0.54000  1.0 3.0
   37    33    39    41  -1.11000  1.0 1.0
   37    33    39    41   0.50250 -1.0 2.0
   37    33    39    41   0.47450  1.0 3.0
   37    40    45    46   3.62500 -1.0 2.0
   37    40   -45    47   3.62500 -1.0 2.0
   37    40    56    54   3.62500 -1.0 2.0
   37    40    56    62   3.62500 -1.0 2.0
   38    37    40    45   1.05000 -1.0 2.0
   38    37    40    56   1.05000 -1.0 2.0
   40    45    46    49   3.62500 -1.0 2.0
   40    45    46    50   3.62500 -1.0 2.0
   40    45    47    48   1.05000 -1.0 2.0
   40    45    47    52   2.26350  1.0 1.0
   40    45    47    52   0.76750 -1.0 2.0
   40    45    47    52   0.22500  1.0 3.0
   40    56    62    63   0.84100 -1.0 2.0
   45    40    56    54   3.62500 -1.0 2.0
   45    40    56    62   3.62500 -1.0 2.0
   45    46   -49    54   3.62500 -1.0 2.0
   45    46    49    67   3.62500 -1.0 2.0
   45    46    50    51   0.84100 -1.0 2.0
   45    47   -52    33   0.05850 -1.0 2.0
   45    47   -52    33   0.17250  1.0 3.0
   45    47    52    53   0.00000  1.0 1.0
   45    47    52    55   0.65300  1.0 1.0
   45    47    52    55  -0.03850 -1.0 2.0
   45    47    52    55   0.33900  1.0 3.0
   46    45    47    48   1.05000 -1.0 2.0
   46    45    47    52   2.26350  1.0 1.0
   46    45    47    52   0.76750 -1.0 2.0
   46    45    47    52   0.22500  1.0 3.0
   46    49    54    56   3.62500 -1.0 2.0
   46    49    54    57   3.62500 -1.0 2.0
   46    49    67    64   1.63200 -1.0 2.0
   49    46    50    51   0.84100 -1.0 2.0
   49    54   -56    40   3.62500 -1.0 2.0
   49    54    56    62   3.62500 -1.0 2.0
   49    54   -57    64   1.63200 -1.0 2.0
   54    49   -67    64   1.63200 -1.0 2.0
   54    56    62    63   0.84100 -1.0 2.0
   54    57    64    65   0.08050  1.0 3.0
   54    57    64    66   0.08050  1.0 3.0
   54    57   -64    67  -0.25600  1.0 1.0
   54    57   -64    67  -0.40050 -1.0 2.0
   54    57   -64    67   0.34700  1.0 3.0
   56    40   -45    46   3.62500 -1.0 2.0
   56    40    45    47   3.62500 -1.0 2.0
   56    54    57    64   1.63200 -1.0 2.0
   57    54    56    40   3.62500 -1.0 2.0
   57    54    56    62   3.62500 -1.0 2.0
   57    64   -67    49  -0.25600  1.0 1.0
   57    64   -67    49  -0.40050 -1.0 2.0
   57    64   -67    49   0.34700  1.0 3.0
   65    64    67    49   0.08050  1.0 3.0
   66    64    67    49   0.08050  1.0 3.0
   67    49    54    56   3.62500 -1.0 2.0
   67    49   -54    57   3.62500 -1.0 2.0
   50    46    49    54   3.62500 -1.0 2.0
   50    46    49    67   3.62500 -1.0 2.0
   47    45    46    49   3.62500 -1.0 2.0
   47    45    46    50   3.62500 -1.0 2.0
   47    52    55    58  -1.11000  1.0 1.0
   47    52    55    58   0.50250 -1.0 2.0
   47    52    55    58   0.47450  1.0 3.0
   48    47    52    33   0.30150 -1.0 2.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    55   0.30150 -1.0 2.0
   52    33    37    38   0.30150 -1.0 2.0
   52    33   -37    40   0.05850 -1.0 2.0
   52    33   -37    40   0.17250  1.0 3.0
   52    33    39    41   0.06250  1.0 1.0
   52    33    39    41  -0.01100 -1.0 2.0
   52    33    39    41   0.28050  1.0 3.0
   52    55    58    59   0.37050  1.0 3.0
   52    55    58    60   0.37050  1.0 3.0
   52    55    58    61   0.37050  1.0 3.0
   53    52    55    58   0.37050  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    52    47  -0.09450  1.0 1.0
   39    33    52    47  -1.12950 -1.0 2.0
   39    33    52    47   0.54000  1.0 3.0
   39    33    52    53   0.23400  1.0 3.0
   39    33    52    55   1.11900  1.0 1.0
   39    33    52    55  -1.16350 -1.0 2.0
   39    33    52    55  -0.34150  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   45    56    40    37   4.00000 -1.0 2.0
   46    47    45    40   4.00000 -1.0 2.0
   49    50    46    45   4.00000 -1.0 2.0
   54    67    49    46   4.00000 -1.0 2.0
   56    57    54    49   4.00000 -1.0 2.0
   54    62    56    40   4.00000 -1.0 2.0
   45    52    47    48  10.50000 -1.0 2.0
END
