* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    142    225     411
    1     0 S   NP   _N1_     1    29.22253    93.31987   -26.66608
    2     1 S   H    _HN1     2     1.02798   118.22030  -121.31437
    3     1 S   H    _H1_     3     1.02946    96.33494    -6.51912
    4     1 S   H    _H2_     4     1.02826    12.46579  -156.89458
    5     1 S   CT   _CA1     5     1.50142   110.13849   107.97951
    6     5 S   HC   _HA1     6     1.09573   105.15624    72.55005
    7     5 S   CO3  _C1_     7     1.53765   112.41556   -47.66509
    8     7 S   O2Z  _O11     8     1.26382   115.00106   -43.28656
    9     7 S   O2Z  _O12     9     1.26228   114.94584   135.64249
   10     5 S   CT   _CB1    10     1.53047   107.39298  -169.48494
   11    10 S   HC   HB11    11     1.09845   109.34228   -49.12331
   12    10 S   HC   HB12    12     1.09810   110.47793    67.46560
   13    10 S   CT   _CG1    13     1.53034   112.65214  -170.03007
   14    13 S   HC   HG11    14     1.09565   110.77324   -67.47073
   15    13 S   HC   HG12    15     1.09666   109.68011    51.79279
   16    13 S   C    _CD1    16     1.51815   111.85325   172.31459
   17    16 S   O    _OE1    17     1.22773   123.11640    14.34297
   18    16 S   N    _N2_    18     1.38612   111.93059  -165.68145
   19    18 S   H    _HN2    19     1.01595   119.08112     0.53668
   20    18 S   CT1  _CA2    20     1.46239   123.40449   176.76015
   21    20 S   HC   _HA2    21     1.09735   109.22101     9.76751
   22    20 S   C    _C2_    22     1.53715   109.14467  -105.89456
   23    22 S   O    _O2_    23     1.23105   122.16385  -149.95956
   24    20 S   CT   _CB2    32     1.53278   111.50595   131.70093
   25    24 S   HC   HB21    33     1.09486   109.90401    57.78372
   26    24 S   HC   HB22    34     1.09533   110.29605   176.53881
   27    22 S   N    _N3_    24     1.38297   114.00562    37.57623
   28    27 S   H    _HN3    25     1.01523   119.63252    -3.21321
   29    24 S   S    _SG2    35     1.82703   111.58223   -63.95024
   30    27 S   CT   _CA3    26     1.45273   123.28940   177.24750
   31    30 S   HC   HA31    27     1.09547   107.52140   -64.77747
   32    30 S   HC   HA32    28     1.09556   107.98764    51.67746
   33    29 S   CT   _C10    36     1.89682    99.11924   173.75245
   34    33 S   HC   _H6_    37     1.09322   104.94433    21.50453
   35    30 S   CO3  _C3_    29     1.52978   114.05211   173.69783
   36    35 S   O2Z  _O31    30     1.26384   116.10413     0.38512
   37    35 S   O2Z  _O32    31     1.26429   114.40899  -179.57433
   38    33 S   C3T  _C11    38     1.53053   101.17256   134.86971
   39    38 S   HC   _H7_    39     1.08536   113.44573    55.53603
   40    33 S   CT   _C9_    59     1.58233   114.23246  -100.03735
   41    40 S   OM   _O36    60     1.32534   110.38617    48.23480
   42    38 S   C3T  _C12    40     1.53375   128.69975  -143.75804
   43    42 S   HC   _H8_    41     1.08670   115.91446  -164.15172
   44    40 S   CT   _C17    61     1.54818   111.50478   -70.36716
   45    44 S   HC   _H16    62     1.09712   112.55371    56.05485
   46    44 S   HC   _H17    63     1.09622   111.07282   -64.57558
   47    44 S   HC   _H18    64     1.09893   112.01270   176.48464
   48    42 S   CM   _C13    42     1.45148   118.69772   -25.26288
   49    38 S   O3T  _O33    72     1.44627   110.97006   -79.88435
   50    48 S   CM   _C14    43     1.33366   130.15702    66.11856
   51    50 S   HC   _H15    44     1.08164   124.14715     5.10826
   52    50 S   CT   _C15    45     1.47977   111.44566  -163.10895
   53    52 S   HC   _H9_    46     1.09411   111.27806  -128.85706
   54    52 S   CT   _C6_    47     1.54724   114.42472   102.22458
   55    54 S   HC   _H4_    48     1.10089   109.35558  -131.55187
   56    52 S   OS   _O34    69     1.43589   102.82764   -14.22532
   57    54 S   CT   _C5_    49     1.52915   113.57851   107.53740
   58    57 S   HC   _H3_    50     1.09657   111.31882   -46.76017
   59    48 S   CO4  _C16    70     1.47805   124.33079  -107.58957
   60    59 S   O    _O35    71     1.21911   125.32643    -9.08878
   61    57 S   CO4  _C18    51     1.51063   101.33696  -161.39919
   62    61 S   O    _O38    52     1.22105   126.12167  -160.26949
   63    57 S   CT   _C4_    65     1.51975   113.11689    78.59147
   64    63 S   HC   _H10    66     1.09568   111.47881    58.81207
   65    63 S   HC   _H11    67     1.09410   111.29394   -62.14047
   66    63 S   HC   _H12    68     1.09540   110.56031   177.94805
   67    61 S   OS   _O37    53     1.36860   109.44738    20.54265
   68    54 S   CT   _C7_    54     1.53675   116.87709    -8.24269
   69    68 S   HC   _H5_    55     1.09363   110.97696    50.92861
   70    68 S   CT   _C8_    56     1.54760   115.04082   -76.90742
   71    70 S   HC   _H13    57     1.10169   107.90195   -86.36115
   72    70 S   HC   _H14    58     1.09140   110.39582    27.60209
  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
  17   8   2   1   1  11   5  14   8   9   4   7   3   2   1   9
   2  10   5  14   6  17   9   4  11   8   1   1   9   3   5   2
   1   1   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    42    70    40    41    44    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    68    70    71    72    40    41    44    45    46    47    49  
   38    39    42    70    40    41    44    49  
   36    37  
   37  
    0  
   39    42    43    48    50    70    40    41    44    59    49  
   42    43    48    40    49  
   41    44    45    46    47    49    42    54    67    68    69    70    71    72  
   44    45    46    47    68    70    71    72  
   43    48    50    51    52    56    59    60    49  
   48    50    59    49  
   45    46    47    68    70    71    72  
   46    47    70  
   47    70  
   70  
   50    51    52    53    54    56    59    60    49  
   50    59  
   51    52    53    54    55    57    68    56    59    60  
   52    53    54    56    59  
   53    54    55    57    58    61    67    68    69    70    63    56    59    60  
   54    55    57    68    56    59  
   55    57    58    61    62    67    68    69    70    71    72    63    64    65    66    56    59  
   57    58    61    67    68    69    70    63    56  
   59    60    57    68  
   58    61    62    67    68    69    70    63    64    65    66  
   61    62    67    68    63    64    65    66  
   60  
    0  
   62    67    68    69    70    63    64    65    66  
   67    68    63  
   64    65    66    67    68  
   65    66  
   66  
    0  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   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   275.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.088
   38    42   260.000  1.509
   38    49   335.000  1.432
   42    43   340.000  1.088
   42    48   305.000  1.480
   42    49   335.000  1.432
   48    50   549.000  1.340
   48    59   320.000  1.462
   50    51   340.000  1.080
   50    52   317.000  1.510
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   320.000  1.410
   54    55   340.000  1.090
   54    57   268.000  1.529
   54    68   268.000  1.529
   57    58   340.000  1.090
   57    61   317.000  1.522
   57    63   268.000  1.529
   61    62   570.000  1.229
   61    67   214.000  1.327
   67    68   320.000  1.410
   68    69   340.000  1.090
   68    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    40   268.000  1.529
   40    41   570.000  1.307
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   56    59   214.000  1.327
   59    60   570.000  1.229
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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    40.00000  115.04500
   33    38    42    60.00000  120.94000
   33    38    49    80.00000  116.47100
   33    40    70    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    44    58.35000  112.70000
   38    33    34    45.00000  109.38400
   38    42    43    37.50000  117.20000
   38    42    48    60.00000  120.58800
   38    42    49    15.00000   60.43100
   38    49    42    15.00000   59.14900
   42    38    39    37.50000  117.20000
   42    48    50    55.00000  125.06700
   42    48    59    65.00000  114.68000
   48    42    43    40.00000  112.45000
   48    50    51    35.00000  120.00000
   48    50    52    70.00000  124.00000
   48    59    56    90.00000  111.29400
   48    59    60    80.00000  123.72100
   50    52    53    35.00000  109.50000
   50    52    54    70.00000  112.02700
   50    52    56    85.00000  110.90400
   52    50    51    35.00000  117.00000
   52    54    55    37.50000  110.70000
   52    54    57    58.35000  112.70000
   52    54    68    58.35000  112.70000
   52    56    59    83.00000  116.90000
   54    52    53    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    61    63.00000  111.10000
   54    57    63    58.35000  112.70000
   54    68    67    50.00000  109.50000
   54    68    69    37.50000  110.70000
   54    68    70    58.35000  112.70000
   57    54    55    37.50000  110.70000
   57    61    62    80.00000  120.40000
   57    61    67    81.00000  111.40000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    66    37.50000  110.70000
   61    57    58    35.00000  109.50000
   61    67    68    83.00000  116.90000
   67    61    62    83.00000  123.40000
   67    68    69    35.00000  109.50000
   67    68    70    50.00000  109.50000
   68    54    55    37.50000  110.70000
   68    54    57    58.35000  112.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    40    58.35000  112.70000
   70    68    69    37.50000  110.70000
   70    40    41    50.00000  109.50000
   70    40    44    58.35000  112.70000
   72    70    71    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.37300
   40    70    71    37.50000  110.70000
   40    70    72    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    61    63.00000  111.10000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    54    50.00000  109.50000
   56    59    60    83.00000  123.40000
   59    48    50    65.00000  118.96000
   49    38    39    50.00000  114.27700
   49    38    42    15.00000   60.43100
   49    42    43    50.00000  114.27700
   49    42    48    85.00000  114.23300
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   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    49   0.56750  1.0 1.0
   29    33    38    49  -0.07550 -1.0 2.0
   29    33    38    49   0.20000  1.0 3.0
   29    33    40    70   0.44750  1.0 1.0
   29    33    40    70  -0.17800 -1.0 2.0
   29    33    40    70   0.20200  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    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    48   0.34400  1.0 1.0
   33    38    42    48   0.09450 -1.0 2.0
   33    38    42    48   0.11100  1.0 3.0
   33    38   -42    49   0.02550  1.0 1.0
   33    38   -42    49  -0.02600 -1.0 2.0
   33    38   -42    49   1.20400  1.0 3.0
   33    38   -49    42   0.06250  1.0 1.0
   33    38   -49    42  -0.01100 -1.0 2.0
   33    38   -49    42   0.28050  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    49   0.23400  1.0 3.0
   34    33    40    70   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    70   0.47050  1.0 1.0
   38    33    40    70   0.03900 -1.0 2.0
   38    33    40    70   0.20100  1.0 3.0
   38    33    40    41  -0.26800  1.0 1.0
   38    33    40    41   0.69150 -1.0 2.0
   38    33    40    41  -0.48750  1.0 3.0
   38    33    40    44   0.47050  1.0 1.0
   38    33    40    44   0.03900 -1.0 2.0
   38    33    40    44   0.20100  1.0 3.0
   38    42    48    50   0.09850  1.0 1.0
   38    42    48    50   0.15250 -1.0 2.0
   38    42    48    50  -0.50650  1.0 3.0
   38    42    48    59   0.09700  1.0 1.0
   38    42    48    59   0.15600 -1.0 2.0
   38    42    48    59  -0.50800  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   39    38   -42    49   0.23400  1.0 3.0
   39    38   -49    42   0.36800  1.0 3.0
   42    48    50    51   7.00000 -1.0 2.0
   42    48    50    52   7.00000 -1.0 2.0
   42    48    59    56  -0.15000  1.0 1.0
   42    48    59    56   0.89550 -1.0 2.0
   42    48    59    56  -0.06900  1.0 3.0
   42    48    59    60  -0.64400  1.0 1.0
   42    48    59    60   0.26850 -1.0 2.0
   43    42    48    50   0.00000  1.0 1.0
   43    42    48    59   0.15000  1.0 3.0
   43    42   -49    38   0.36800  1.0 3.0
   48    42   -49    38  -0.77900  1.0 1.0
   48    42   -49    38  -0.36900 -1.0 2.0
   48    42   -49    38   0.40400  1.0 3.0
   48    50    52    53   0.00000  1.0 1.0
   48    50    52    54   0.09850  1.0 1.0
   48    50    52    54   0.15250 -1.0 2.0
   48    50    52    54  -0.50650  1.0 3.0
   48    50   -52    56   0.39000  1.0 1.0
   48    50   -52    56  -0.05800 -1.0 2.0
   48    50   -52    56  -0.55150  1.0 3.0
   50    48   -59    56  -0.56150  1.0 1.0
   50    48   -59    56   2.19150 -1.0 2.0
   50    48    59    60   1.00000 -1.0 2.0
   50    52    54    55   0.15000  1.0 3.0
   50    52    54    57   0.34400  1.0 1.0
   50    52    54    57   0.09450 -1.0 2.0
   50    52    54    57   0.11100  1.0 3.0
   50    52    54    68   0.34400  1.0 1.0
   50    52    54    68   0.09450 -1.0 2.0
   50    52    54    68   0.11100  1.0 3.0
   50    52   -56    59  -0.82050  1.0 1.0
   50    52   -56    59   0.00600 -1.0 2.0
   50    52   -56    59   0.04400  1.0 3.0
   51    50    52    53   0.33100  1.0 3.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    56   0.00000  1.0 1.0
   52    54    57    58   0.15000  1.0 3.0
   52    54    57    61  -0.95700  1.0 1.0
   52    54    57    61  -0.18200 -1.0 2.0
   52    54    57    61   0.29450  1.0 3.0
   52    54    57    63   0.56750  1.0 1.0
   52    54    57    63  -0.07550 -1.0 2.0
   52    54    57    63   0.20000  1.0 3.0
   52    54    68    67   0.62750  1.0 1.0
   52    54    68    67  -0.30950 -1.0 2.0
   52    54    68    67   0.27300  1.0 3.0
   52    54    68    69   0.15000  1.0 3.0
   52    54    68    70   0.56750  1.0 1.0
   52    54    68    70  -0.07550 -1.0 2.0
   52    54    68    70   0.20000  1.0 3.0
   52    56   -59    48   2.00000 -1.0 2.0
   52    56    59    60   3.00000 -1.0 2.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    57   0.15000  1.0 3.0
   53    52    54    68   0.15000  1.0 3.0
   53    52    56    59   0.08050  1.0 3.0
   54    52    56    59  -0.25900  1.0 1.0
   54    52    56    59  -0.47000 -1.0 2.0
   54    52    56    59   0.11750  1.0 3.0
   54    57    61    62   0.30150 -1.0 2.0
   54    57   -61    67   0.36750  1.0 3.0
   54    57    63    64   0.15000  1.0 3.0
   54    57    63    65   0.15000  1.0 3.0
   54    57    63    66   0.15000  1.0 3.0
   54    68    70    71   0.15000  1.0 3.0
   54    68    70    72   0.15000  1.0 3.0
   54    68    70    40   0.56750  1.0 1.0
   54    68    70    40  -0.07550 -1.0 2.0
   54    68    70    40   0.20000  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    61  -0.11250  1.0 3.0
   55    54    57    63   0.15000  1.0 3.0
   55    54    68    67   0.23400  1.0 3.0
   55    54    68    69   0.15000  1.0 3.0
   55    54    68    70   0.15000  1.0 3.0
   57    54   -68    67   0.62750  1.0 1.0
   57    54   -68    67  -0.30950 -1.0 2.0
   57    54   -68    67   0.27300  1.0 3.0
   57    54    68    69   0.15000  1.0 3.0
   57    54    68    70   0.56750  1.0 1.0
   57    54    68    70  -0.07550 -1.0 2.0
   57    54    68    70   0.20000  1.0 3.0
   57    61   -67    68   1.63150  1.0 1.0
   57    61   -67    68   2.92000 -1.0 2.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    67   0.00000  1.0 1.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    65   0.15000  1.0 3.0
   58    57    63    66   0.15000  1.0 3.0
   61    57    63    64  -0.11250  1.0 3.0
   61    57    63    65  -0.11250  1.0 3.0
   61    57    63    66  -0.11250  1.0 3.0
   61    67   -68    54  -0.25900  1.0 1.0
   61    67   -68    54  -0.47000 -1.0 2.0
   61    67   -68    54   0.11750  1.0 3.0
   61    67    68    69   0.08050  1.0 3.0
   61    67    68    70  -0.25900  1.0 1.0
   61    67    68    70  -0.47000 -1.0 2.0
   61    67    68    70   0.11750  1.0 3.0
   62    61    67    68   3.00000 -1.0 2.0
   67    68    70    71   0.23400  1.0 3.0
   67    68    70    72   0.23400  1.0 3.0
   67    68    70    40   0.62750  1.0 1.0
   67    68    70    40  -0.30950 -1.0 2.0
   67    68    70    40   0.27300  1.0 3.0
   68    54    57    58   0.15000  1.0 3.0
   68    54   -57    61  -0.95700  1.0 1.0
   68    54   -57    61  -0.18200 -1.0 2.0
   68    54   -57    61   0.29450  1.0 3.0
   68    54    57    63   0.56750  1.0 1.0
   68    54    57    63  -0.07550 -1.0 2.0
   68    54    57    63   0.20000  1.0 3.0
   68    70    40    33   0.56750  1.0 1.0
   68    70    40    33  -0.07550 -1.0 2.0
   68    70    40    33   0.20000  1.0 3.0
   68    70    40    41   0.62750  1.0 1.0
   68    70    40    41  -0.30950 -1.0 2.0
   68    70    40    41   0.27300  1.0 3.0
   68    70    40    44   0.56750  1.0 1.0
   68    70    40    44  -0.07550 -1.0 2.0
   68    70    40    44   0.20000  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    40   0.15000  1.0 3.0
   70    40    44    45   0.15000  1.0 3.0
   70    40    44    46   0.15000  1.0 3.0
   70    40    44    47   0.15000  1.0 3.0
   71    70    40    33   0.15000  1.0 3.0
   71    70    40    41   0.23400  1.0 3.0
   71    70    40    44   0.15000  1.0 3.0
   72    70    40    33   0.15000  1.0 3.0
   72    70    40    41   0.23400  1.0 3.0
   72    70    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.07850  1.0 1.0
   40    33    38    42  -0.03950 -1.0 2.0
   40    33    38    42   0.67350  1.0 3.0
   40    33    38    49   0.02550  1.0 1.0
   40    33    38    49  -0.02600 -1.0 2.0
   40    33    38    49   1.20400  1.0 3.0
   41    40    44    45   0.23400  1.0 3.0
   41    40    44    46   0.23400  1.0 3.0
   41    40    44    47   0.23400  1.0 3.0
   63    57    61    62   0.30150 -1.0 2.0
   63    57    61    67   0.36750  1.0 3.0
   56    52    54    55   0.23400  1.0 3.0
   56    52    54    57   0.62750  1.0 1.0
   56    52    54    57  -0.30950 -1.0 2.0
   56    52    54    57   0.27300  1.0 3.0
   56    52    54    68   0.62750  1.0 1.0
   56    52    54    68  -0.30950 -1.0 2.0
   56    52    54    68   0.27300  1.0 3.0
   59    48    50    51   7.00000 -1.0 2.0
   59    48   -50    52   7.00000 -1.0 2.0
   49    38   -42    43   0.23400  1.0 3.0
   49    38   -42    48   0.61850  1.0 1.0
   49    38   -42    48  -0.22750 -1.0 2.0
   49    38   -42    48   0.15300  1.0 3.0
   49    42    48    50   0.39000  1.0 1.0
   49    42    48    50  -0.05800 -1.0 2.0
   49    42    48    50  -0.55150  1.0 3.0
   49    42    48    59   0.09700  1.0 1.0
   49    42    48    59   0.15600 -1.0 2.0
   49    42    48    59  -0.50800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    59    48    50   1.10000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   57    67    61    62  10.50000 -1.0 2.0
   48    56    59    60  10.50000 -1.0 2.0
END
