* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    137    208     399
    1     0 S   NP   _N1_     1    28.85773    94.98068   -21.89433
    2     1 S   H    _HN1     2     1.02941    78.39070     9.62339
    3     1 S   H    _H1_     3     1.02827    33.86205   156.87853
    4     1 S   H    _H2_     4     1.02779   100.96094   -97.19819
    5     1 S   CT   _CA1     5     1.50188   139.56642   117.48490
    6     5 S   HC   _HA1     6     1.09567   105.07971    81.52607
    7     5 S   CO3  _C1_     7     1.53813   112.60118   -38.48487
    8     7 S   O2Z  _O11     8     1.26404   114.93952   -34.71688
    9     7 S   O2Z  _O12     9     1.26225   115.02698   144.28386
   10     5 S   CT   _CB1    10     1.53100   107.38957  -160.37150
   11    10 S   HC   HB11    11     1.09833   109.38672   -46.77984
   12    10 S   HC   HB12    12     1.09811   110.42086    69.87541
   13    10 S   CT   _CG1    13     1.52994   112.68897  -167.66640
   14    13 S   HC   HG11    14     1.09556   110.71381   -68.15160
   15    13 S   HC   HG12    15     1.09673   109.71662    51.04785
   16    13 S   C    _CD1    16     1.51867   112.15685   171.53425
   17    16 S   O    _OE1    17     1.22730   123.23260    12.15839
   18    16 S   N    _N2_    18     1.38552   111.66414  -168.34977
   19    18 S   H    _HN2    19     1.01561   118.85715     1.26393
   20    18 S   CT1  _CA2    20     1.46283   123.72191   178.22480
   21    20 S   HC   _HA2    21     1.09733   109.45693    -5.24004
   22    20 S   C    _C2_    22     1.53440   108.19136  -120.65833
   23    22 S   O    _O2_    23     1.23027   122.40529  -147.72145
   24    20 S   CT   _CB2    32     1.53341   111.23158   117.10524
   25    24 S   HC   HB21    33     1.09379   109.41459    53.62355
   26    24 S   HC   HB22    34     1.09488   110.84901   172.55336
   27    22 S   N    _N3_    24     1.38375   113.46439    39.75320
   28    27 S   H    _HN3    25     1.01625   119.46395    -3.52837
   29    24 S   S    _SG2    35     1.82557   110.94033   -68.07541
   30    27 S   CT   _CA3    26     1.45273   123.23326   177.10011
   31    30 S   HC   HA31    27     1.09549   107.52948   -64.14397
   32    30 S   HC   HA32    28     1.09556   107.95980    52.28753
   33    29 S   CT   _C14    36     1.82578   100.32182   165.23638
   34    33 S   HC   _H16    37     1.09467   107.01593   168.92671
   35    33 S   HC   _H17    38     1.09568   108.41630    54.79391
   36    30 S   CO3  _C3_    29     1.52957   114.07510   174.27560
   37    36 S   O2Z  _O31    30     1.26377   116.06602    -0.40974
   38    36 S   O2Z  _O32    31     1.26425   114.41746   179.64502
   39    33 S   CT   _C13    39     1.53955   115.17490   -68.41457
   40    39 S   HC   _H14    40     1.09810   108.19913  -171.67459
   41    39 S   HC   _H15    41     1.09506   106.84130    75.14476
   42    39 S   NT   _N4_    42     1.47477   115.34466   -47.67617
   43    42 S   CT   _C15    43     1.47631   111.85872   -69.41470
   44    43 S   HC   _H18    44     1.09632   110.95949    43.39092
   45    43 S   HC   _H19    45     1.09691   110.88011   -73.28515
   46    42 S   CT   _C5_    57     1.48393   113.56467   161.96791
   47    46 S   HC   _H3_    58     1.09733   109.18359   169.66126
   48    43 S   CA   _C16    46     1.51462   113.34857   161.59723
   49    46 S   CT   _C4_    59     1.53802   109.75086   -77.25345
   50    49 S   HC   _H4_    60     1.09415   112.45563    69.42779
   51    49 S   HC   _H5_    61     1.09514   110.64860   -51.82311
   52    49 S   HC   _H6_    62     1.09553   110.73827  -170.34048
   53    46 S   CT   _C6_    63     1.54403   115.30881    48.89709
   54    53 S   HC   _H7_    64     1.09666   110.21221   -69.38484
   55    53 S   HC   _H8_    65     1.09584   109.73554    51.76497
   56    48 S   CA   _C17    47     1.40290   120.47536   -62.84886
   57    56 S   HA   _H20    48     1.08658   120.42682    -0.09691
   58    53 S   OS   _O33    66     1.43164   108.50799   170.68097
   59    56 S   CA   _C18    49     1.39477   120.49505   179.57204
   60    59 S   HA   _H21    50     1.08621   119.97622  -179.58316
   61    58 S   CA   _C7_    67     1.36909   117.13891   179.92598
   62    59 S   CA   _C19    51     1.39324   120.05619     0.04846
   63    62 S   HA   _H22    52     1.08626   119.91554  -179.47474
   64    61 S   CA   _C8_    68     1.39710   125.90384     0.38664
   65    64 S   HA   _H9_    69     1.08530   122.00091     0.01978
   66    62 S   CA   _C20    53     1.39362   119.97184     0.28324
   67    66 S   HA   _H23    54     1.08619   119.94155  -179.94065
   68    64 S   CA   _C9_    70     1.39786   120.09771   179.98022
   69    68 S   HA   _H10    71     1.08659   119.83072   179.98022
   70    48 S   CA   _C21    55     1.40189   120.56332   117.19512
   71    70 S   HA   _H24    56     1.08703   120.45485    -0.05935
   72    68 S   CA   _C10    72     1.39367   120.31652    -0.00000
   73    72 S   HA   _H11    73     1.08609   120.07654   180.00000
   74    72 S   CA   _C11    74     1.39248   119.82789    -0.00000
   75    74 S   HA   _H12    75     1.08616   120.07073  -180.00000
   76    61 S   CA   _C12    76     1.39936   114.83723  -179.64502
   77    76 S   HA   _H13    77     1.08742   120.12984     0.01978
  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   7   5   4   3
   8   5   4   2   1   1  11   4   3  16  13   5   4  11   8   9
   7   3   2   1   6   3   2   8   4   7   6   3   9   5   3   8
   4   3   2   6   3   1   1   5   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    45    48    46    47    49    53  
   41    42    43    46  
   42    43    46  
   43    44    45    48    56    70    46    47    49    50    51    52    53    54    55    58  
   44    45    48    56    57    59    66    70    71    46    47    49    53  
   45    48    56    70    46  
   48    56    70    46  
   47    49    50    51    52    53    54    55    58    61    48  
   49    50    51    52    53    54    55    58  
   56    57    59    60    62    66    67    70    71  
   50    51    52    53    54    55    58  
   51    52    53  
   52    53  
   53  
   54    55    58    61    64    76  
   55    58    61  
   58    61  
   57    59    60    62    63    66    70    71  
   59    60    62    70  
   61    64    65    68    74    76    77  
   60    62    63    66    67    70  
   62    63    66  
   64    65    68    69    72    74    75    76    77  
   63    66    67    70    71  
   66    67    70  
   65    68    69    72    73    74    76    77  
   68    69    72    76  
   67    70    71  
   70    71  
   69    72    73    74    75    76  
   72    73    74  
   71  
    0  
   73    74    75    76    77  
   74    75    76  
   75    76    77  
   76    77  
   77  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   77   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   382.000  1.448
   42    43   382.000  1.448
   42    46   382.000  1.448
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.510
   48    56   469.000  1.400
   48    70   469.000  1.400
   56    57   367.000  1.080
   56    59   469.000  1.400
   59    60   367.000  1.080
   59    62   469.000  1.400
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   367.000  1.080
   46    47   340.000  1.090
   46    49   268.000  1.529
   46    53   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   320.000  1.410
   58    61   450.000  1.364
   61    64   469.000  1.400
   61    76   469.000  1.400
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    56.20000  109.47000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    51.80000  107.20000
   39    42    46    51.80000  107.20000
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    48    75.00000  112.33000
   42    46    47    35.00000  109.50000
   42    46    49    56.20000  109.47000
   42    46    53    56.20000  109.47000
   43    48    56    70.00000  120.00000
   43    48    70    70.00000  120.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    56    57    35.00000  120.00000
   48    56    59    63.00000  120.00000
   48    70    66    63.00000  120.00000
   48    70    71    35.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    62    63.00000  120.00000
   59    56    57    35.00000  120.00000
   59    62    63    35.00000  120.00000
   59    62    66    63.00000  120.00000
   62    59    60    35.00000  120.00000
   62    66    67    35.00000  120.00000
   62    66    70    63.00000  120.00000
   66    62    63    35.00000  120.00000
   66    70    71    35.00000  120.00000
   70    48    56    63.00000  120.00000
   70    66    67    35.00000  120.00000
   46    42    43    51.80000  107.20000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    37.50000  110.70000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    58    50.00000  109.50000
   49    46    47    37.50000  110.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    46    47    37.50000  110.70000
   53    46    49    58.35000  112.70000
   53    58    61    75.00000  111.00000
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    61    64    70.00000  120.00000
   58    61    76    70.00000  120.00000
   61    64    65    35.00000  120.00000
   61    64    68    63.00000  120.00000
   61    76    74    63.00000  120.00000
   61    76    77    35.00000  120.00000
   64    68    69    35.00000  120.00000
   64    68    72    63.00000  120.00000
   68    64    65    35.00000  120.00000
   68    72    73    35.00000  120.00000
   68    72    74    63.00000  120.00000
   72    68    69    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  120.00000
   76    61    64    63.00000  120.00000
   76    74    75    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43   0.23450  1.0 1.0
   33    39    42    43   0.02050 -1.0 2.0
   33    39    42    43   0.25250  1.0 3.0
   33    39    42    46   0.23450  1.0 1.0
   33    39    42    46   0.02050 -1.0 2.0
   33    39    42    46   0.25250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.15000  1.0 3.0
   39    42    43    44   0.28000  1.0 3.0
   39    42    43    45   0.28000  1.0 3.0
   39    42    43    48   0.82600  1.0 1.0
   39    42    43    48  -0.32100 -1.0 2.0
   39    42    43    48   1.02000  1.0 3.0
   39    42    46    47   0.28000  1.0 3.0
   39    42    46    49   0.23450  1.0 1.0
   39    42    46    49   0.02050 -1.0 2.0
   39    42    46    49   0.25250  1.0 3.0
   39    42    46    53   0.23450  1.0 1.0
   39    42    46    53   0.02050 -1.0 2.0
   39    42    46    53   0.25250  1.0 3.0
   40    39    42    43   0.28000  1.0 3.0
   40    39    42    46   0.28000  1.0 3.0
   41    39    42    43   0.28000  1.0 3.0
   41    39    42    46   0.28000  1.0 3.0
   42    43    48    56   0.18550 -1.0 2.0
   42    43    48    56   0.14000  1.0 3.0
   42    43    48    70   0.18550 -1.0 2.0
   42    43    48    70   0.14000  1.0 3.0
   42    46    49    50   0.15000  1.0 3.0
   42    46    49    51   0.15000  1.0 3.0
   42    46    49    52   0.15000  1.0 3.0
   42    46    53    54   0.15000  1.0 3.0
   42    46    53    55   0.15000  1.0 3.0
   42    46    53    58   1.74050  1.0 1.0
   43    42    46    47   0.28000  1.0 3.0
   43    42    46    49   0.23450  1.0 1.0
   43    42    46    49   0.02050 -1.0 2.0
   43    42    46    49   0.25250  1.0 3.0
   43    42    46    53   0.23450  1.0 1.0
   43    42    46    53   0.02050 -1.0 2.0
   43    42    46    53   0.25250  1.0 3.0
   43    48    56    57   3.62500 -1.0 2.0
   43    48    56    59   3.62500 -1.0 2.0
   43    48    70    66   3.62500 -1.0 2.0
   43    48    70    71   3.62500 -1.0 2.0
   44    43    48    56   0.00000  1.0 1.0
   44    43    48    70   0.00000  1.0 1.0
   45    43    48    56   0.00000  1.0 1.0
   45    43    48    70   0.00000  1.0 1.0
   48    56    59    60   3.62500 -1.0 2.0
   48    56    59    62   3.62500 -1.0 2.0
   56    48    70    66   3.62500 -1.0 2.0
   56    48    70    71   3.62500 -1.0 2.0
   56    59    62    63   3.62500 -1.0 2.0
   56    59   -62    66   3.62500 -1.0 2.0
   57    56    59    60   3.62500 -1.0 2.0
   57    56    59    62   3.62500 -1.0 2.0
   59    62    66    67   3.62500 -1.0 2.0
   59    62    66    70   3.62500 -1.0 2.0
   60    59    62    63   3.62500 -1.0 2.0
   60    59    62    66   3.62500 -1.0 2.0
   62    66   -70    48   3.62500 -1.0 2.0
   62    66    70    71   3.62500 -1.0 2.0
   63    62    66    67   3.62500 -1.0 2.0
   63    62    66    70   3.62500 -1.0 2.0
   67    66    70    48   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   70    48    56    57   3.62500 -1.0 2.0
   70    48   -56    59   3.62500 -1.0 2.0
   46    42    43    44   0.28000  1.0 3.0
   46    42    43    45   0.28000  1.0 3.0
   46    42    43    48   0.82600  1.0 1.0
   46    42    43    48  -0.32100 -1.0 2.0
   46    42    43    48   1.02000  1.0 3.0
   46    53    58    61  -0.32850  1.0 1.0
   46    53    58    61  -0.35800 -1.0 2.0
   46    53    58    61   0.33950  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    58   0.23400  1.0 3.0
   49    46    53    54   0.15000  1.0 3.0
   49    46    53    55   0.15000  1.0 3.0
   49    46    53    58   0.62750  1.0 1.0
   49    46    53    58  -0.30950 -1.0 2.0
   49    46    53    58   0.27300  1.0 3.0
   53    46    49    50   0.15000  1.0 3.0
   53    46    49    51   0.15000  1.0 3.0
   53    46    49    52   0.15000  1.0 3.0
   53    58    61    64   1.63200 -1.0 2.0
   53    58    61    76   1.63200 -1.0 2.0
   54    53    58    61   0.08050  1.0 3.0
   55    53    58    61   0.08050  1.0 3.0
   58    61    64    65   3.62500 -1.0 2.0
   58    61    64    68   3.62500 -1.0 2.0
   58    61    76    74   3.62500 -1.0 2.0
   58    61    76    77   3.62500 -1.0 2.0
   61    64    68    69   3.62500 -1.0 2.0
   61    64    68    72   3.62500 -1.0 2.0
   64    61    76    74   3.62500 -1.0 2.0
   64    61    76    77   3.62500 -1.0 2.0
   64    68    72    73   3.62500 -1.0 2.0
   64    68   -72    74   3.62500 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    72   3.62500 -1.0 2.0
   68    72    74    75   3.62500 -1.0 2.0
   68    72    74    76   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   69    68    72    74   3.62500 -1.0 2.0
   72    74   -76    61   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   75    74    76    61   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    61    64    65   3.62500 -1.0 2.0
   76    61   -64    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
   37    30    36    38  10.50000 -1.0 2.0
   56    70    48    43   4.00000 -1.0 2.0
   59    57    56    48   1.10000 -1.0 2.0
   62    60    59    56   1.10000 -1.0 2.0
   66    63    62    59   1.10000 -1.0 2.0
   70    67    66    62   1.10000 -1.0 2.0
   66    71    70    48   1.10000 -1.0 2.0
   64    76    61    58   4.00000 -1.0 2.0
   68    65    64    61   1.10000 -1.0 2.0
   72    69    68    64   1.10000 -1.0 2.0
   74    73    72    68   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   74    77    76    61   1.10000 -1.0 2.0
END
