* LIGAND DATABASE FILE (OPLS2005)
*
001      68    67    118    171     343
    1     0 S   NP   _N1_     1    28.77580    95.46995   -24.23216
    2     1 S   H    _HN1     2     1.02790   111.86703  -114.75141
    3     1 S   H    _H1_     3     1.02949    81.06926    -8.43266
    4     1 S   H    _H2_     4     1.02828    26.66340   158.78683
    5     1 S   CT   _CA1     5     1.50117   127.29295   100.47552
    6     5 S   HC   _HA1     6     1.09574   105.18210    83.36390
    7     5 S   CO3  _C1_     7     1.53787   112.49759   -36.88321
    8     7 S   O2Z  _O11     8     1.26379   115.00033   -41.66758
    9     7 S   O2Z  _O12     9     1.26240   114.95339   137.45484
   10     5 S   CT   _CB1    10     1.53076   107.42751  -158.60940
   11    10 S   HC   HB11    11     1.09837   109.39148   -49.25546
   12    10 S   HC   HB12    12     1.09812   110.45477    67.37464
   13    10 S   CT   _CG1    13     1.52987   112.58357  -170.18474
   14    13 S   HC   HG11    14     1.09574   110.71340   -66.41790
   15    13 S   HC   HG12    15     1.09682   109.71199    52.80322
   16    13 S   C    _CD1    16     1.51804   112.13429   173.33712
   17    16 S   O    _OE1    17     1.22730   123.29071    10.88483
   18    16 S   N    _N2_    18     1.38642   111.65328  -169.16082
   19    18 S   H    _HN2    19     1.01555   118.90574     1.42354
   20    18 S   CT1  _CA2    20     1.46177   123.41587   177.12193
   21    20 S   HC   _HA2    21     1.09682   109.19629    12.49699
   22    20 S   C    _C2_    22     1.53874   110.11239  -104.08178
   23    22 S   O    _O2_    23     1.23153   121.70707  -160.65332
   24    20 S   CT   _CB2    32     1.53317   111.35997   134.61444
   25    24 S   HC   HB21    33     1.09339   108.93705    59.94830
   26    24 S   HC   HB22    34     1.09515   110.40862   178.40984
   27    22 S   N    _N3_    24     1.38046   114.64519    24.96901
   28    27 S   H    _HN3    25     1.01514   119.60741    -2.20797
   29    24 S   S    _SG2    35     1.82605   112.70305   -60.77270
   30    27 S   CT   _CA3    26     1.45270   123.36056   179.04448
   31    30 S   HC   HA31    27     1.09535   107.49499   -67.16563
   32    30 S   HC   HA32    28     1.09559   108.06985    49.36453
   33    29 S   CT   _C13    36     1.85475    99.35266   178.11654
   34    33 S   HC   _H3_    37     1.09761   106.79266    50.25103
   35    30 S   CO3  _C3_    29     1.52972   113.92342   171.42366
   36    35 S   O2Z  _O31    30     1.26397   116.04345     2.22238
   37    35 S   O2Z  _O32    31     1.26415   114.44193  -177.77323
   38    33 S   CO4  _C12    38     1.53570   106.57738   -67.01946
   39    38 S   O    _O33    39     1.23259   122.05690   -64.31262
   40    33 S   CT   _C14    61     1.55360   111.16264   171.34758
   41    40 S   OM   _O35    62     1.32680   108.54448  -175.26724
   42    40 S   HC   _H4_    63     1.10047   107.40747    53.17611
   43    38 S   CT   _C11    40     1.52212   116.42588   116.31708
   44    43 S   HC   _H16    41     1.09535   108.22558    85.29554
   45    43 S   HC   _H17    42     1.09608   108.41718   -31.67731
   46    40 S   C    _C15    64     1.54201   110.97776   -63.47089
   47    46 S   O    _O34    65     1.23015   124.37135   -28.38923
   48    43 S   CT   _C10    43     1.52681   111.48154  -152.12918
   49    48 S   HC   _H14    44     1.09729   109.86280   -68.01560
   50    48 S   HC   _H15    45     1.09532   110.36694    47.68400
   51    46 S   N    _N4_    66     1.38040   113.20668   151.51453
   52    51 S   H    _H18    67     1.01369   121.75793     2.44024
   53    51 S   H    _H19    68     1.01292   120.52668   179.91607
   54    48 S   CM   _C9_    46     1.50057   111.57223   171.67095
   55    54 S   HC   _H13    47     1.08862   115.58634    81.09049
   56    54 S   CM   _C8_    48     1.34288   126.83483   -99.93240
   57    56 S   HC   _H12    49     1.08918   117.20100  -179.03146
   58    56 S   CT   _C7_    50     1.50272   127.19474     3.12850
   59    58 S   HC   _H10    51     1.09128   111.49849    13.79872
   60    58 S   HC   _H11    52     1.09733   108.01858   128.74347
   61    58 S   CM   _C6_    53     1.50064   111.71921  -112.51098
   62    61 S   HC   _H9_    54     1.08959   115.31907   -64.65105
   63    61 S   CM   _C5_    55     1.34213   127.81695   116.42655
   64    63 S   HC   _H8_    56     1.08884   117.15575   179.25928
   65    63 S   CT   _C4_    57     1.49275   127.97787    -0.93545
   66    65 S   HC   _H5_    58     1.09446   109.64654  -120.30708
   67    65 S   HC   _H6_    59     1.09093   113.54016     0.28871
   68    65 S   HC   _H7_    60     1.09423   109.75187   121.18195
  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
  13   7   2   1   1  12   5   8   4   3   8   5   4   4   3   7
   4   3   2   1   1   7   3   7   4   7   4   3   7   3   5   4
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    45    48    40    41    42    46    47    51  
   38    39    43    40    41    42    46  
   36    37  
   37  
    0  
   39    43    44    45    48    49    50    54    40    41    42    46  
   43    44    45    48    40  
   41    42    46    47    51    52    53    43  
   42    46    47    51  
   46    47    51  
   44    45    48    49    50    54    55    56  
   45    48    49    50    54  
   48    49    50    54  
   47    51    52    53  
   51    52    53  
   49    50    54    55    56    57    58  
   50    54    55    56  
   54    55    56  
   52    53  
   53  
    0  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58    59    60    61    62    63  
   58    59    60    61  
   59    60    61    62    63    64    65  
   60    61    62    63  
   61    62    63  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68  
   67    68  
   68  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   317.000  1.510
   54    55   340.000  1.080
   54    56   549.000  1.340
   56    57   340.000  1.080
   56    58   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   317.000  1.510
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   340.000  1.080
   63    65   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   40    41   570.000  1.307
   40    42   340.000  1.090
   40    46   317.000  1.522
   46    47   570.000  1.229
   46    51   490.000  1.335
   51    52   434.000  1.010
   51    53   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    70.00000  116.00000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    40    46    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  109.50000
   38    43    45    35.00000  109.50000
   38    43    48    63.00000  111.10000
   43    38    39    80.00000  120.40000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    54    70.00000  112.02700
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    54    55    35.00000  117.00000
   48    54    56    70.00000  124.00000
   50    48    49    33.00000  107.80000
   54    48    49    35.00000  109.50000
   54    48    50    35.00000  109.50000
   54    56    57    35.00000  120.00000
   54    56    58    70.00000  124.00000
   56    54    55    35.00000  120.00000
   56    58    59    35.00000  109.50000
   56    58    60    35.00000  109.50000
   56    58    61    70.00000  110.12100
   58    56    57    35.00000  117.00000
   58    61    62    35.00000  117.00000
   58    61    63    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   61    63    64    35.00000  120.00000
   61    63    65    70.00000  124.00000
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    68    35.00000  109.50000
   65    63    64    35.00000  117.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    46    47    80.00000  120.40000
   40    46    51    70.00000  116.60000
   42    40    41    45.00000  125.66300
   46    40    41    90.00000  108.55600
   46    40    42    35.00000  109.50000
   46    51    52    35.00000  119.80000
   46    51    53    35.00000  119.80000
   51    46    47    80.00000  122.90000
   53    51    52    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.30150 -1.0 2.0
   29    33    38    43   0.65300  1.0 1.0
   29    33    38    43  -0.03850 -1.0 2.0
   29    33    38    43   0.33900  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   33    38    43    44   0.00000  1.0 1.0
   33    38    43    45   0.00000  1.0 1.0
   33    38    43    48   0.60050  1.0 1.0
   33    38    43    48   0.05600 -1.0 2.0
   33    38    43    48   0.26150  1.0 3.0
   33    40    46    47   0.30150 -1.0 2.0
   33    40    46    51   1.39750  1.0 1.0
   33    40    46    51  -0.07950 -1.0 2.0
   33    40    46    51  -0.18750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    46  -0.11250  1.0 3.0
   38    33    40    41  -0.09450  1.0 1.0
   38    33    40    41  -1.12950 -1.0 2.0
   38    33    40    41   0.54000  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    33    40    46   0.11950  1.0 1.0
   38    33    40    46   0.20300 -1.0 2.0
   38    33    40    46  -0.70800  1.0 3.0
   38    43    48    49  -0.11250  1.0 3.0
   38    43    48    50  -0.11250  1.0 3.0
   38    43    48    54  -0.98800  1.0 1.0
   38    43    48    54   0.48800 -1.0 2.0
   38    43    48    54   0.76800  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    45   0.00000  1.0 1.0
   39    38    43    48   0.30150 -1.0 2.0
   43    48    54    55   0.00000  1.0 1.0
   43    48    54    56   0.09850  1.0 1.0
   43    48    54    56   0.15250 -1.0 2.0
   43    48    54    56  -0.50650  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    54   0.15000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   45    43    48    54   0.15000  1.0 3.0
   48    54    56    57   7.00000 -1.0 2.0
   48    54    56    58   7.00000 -1.0 2.0
   49    48    54    55   0.33100  1.0 3.0
   49    48    54    56   0.00000  1.0 1.0
   50    48    54    55   0.33100  1.0 3.0
   50    48    54    56   0.00000  1.0 1.0
   54    56    58    59   0.00000  1.0 1.0
   54    56    58    60   0.00000  1.0 1.0
   54    56    58    61  -0.28300  1.0 1.0
   54    56    58    61   0.26700 -1.0 2.0
   54    56    58    61  -0.63300  1.0 3.0
   55    54    56    57   7.00000 -1.0 2.0
   55    54    56    58   7.00000 -1.0 2.0
   56    58    61    62   0.00000  1.0 1.0
   56    58    61    63  -0.28300  1.0 1.0
   56    58    61    63   0.26700 -1.0 2.0
   56    58    61    63  -0.63300  1.0 3.0
   57    56    58    59   0.33100  1.0 3.0
   57    56    58    60   0.33100  1.0 3.0
   57    56    58    61   0.00000  1.0 1.0
   58    61    63    64   7.00000 -1.0 2.0
   58    61    63    65   7.00000 -1.0 2.0
   59    58    61    62   0.33100  1.0 3.0
   59    58    61    63   0.00000  1.0 1.0
   60    58    61    62   0.33100  1.0 3.0
   60    58    61    63   0.00000  1.0 1.0
   61    63    65    66   0.00000  1.0 1.0
   61    63    65    67   0.00000  1.0 1.0
   61    63    65    68   0.00000  1.0 1.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    65   7.00000 -1.0 2.0
   64    63    65    66   0.33100  1.0 3.0
   64    63    65    67   0.33100  1.0 3.0
   64    63    65    68   0.33100  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    43   0.60050  1.0 1.0
   40    33    38    43   0.05600 -1.0 2.0
   40    33    38    43   0.26150  1.0 3.0
   40    46    51    52   2.45000 -1.0 2.0
   40    46    51    53   2.45000 -1.0 2.0
   41    40    46    47   0.30150 -1.0 2.0
   41    40    46    51   0.00000  1.0 1.0
   42    40    46    47   0.00000  1.0 1.0
   42    40    46    51   0.00000  1.0 1.0
   47    46    51    52   2.45000 -1.0 2.0
   47    46    51    53   2.45000 -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
   33    43    38    39  10.50000 -1.0 2.0
   48    55    54    56  15.00000 -1.0 2.0
   58    57    56    54  15.00000 -1.0 2.0
   58    62    61    63  15.00000 -1.0 2.0
   65    64    63    61  15.00000 -1.0 2.0
   40    51    46    47  10.50000 -1.0 2.0
   53    46    51    52   1.00000 -1.0 2.0
END
