* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    127    198     375
    1     0 S   NP   _N1_     1    28.60206    95.83902   -23.11665
    2     1 S   H    _HN1     2     1.02787   100.83564   -89.22803
    3     1 S   H    _H1_     3     1.02948    75.29571    17.11220
    4     1 S   H    _H2_     4     1.02829    37.10525   165.39106
    5     1 S   CT   _CA1     5     1.50113   141.55601   121.54014
    6     5 S   HC   _HA1     6     1.09573   105.19548    85.80294
    7     5 S   CO3  _C1_     7     1.53780   112.44052   -34.43875
    8     7 S   O2Z  _O11     8     1.26371   115.00883   -43.30766
    9     7 S   O2Z  _O12     9     1.26237   114.93860   135.80483
   10     5 S   CT   _CB1    10     1.53074   107.41739  -156.22913
   11    10 S   HC   HB11    11     1.09835   109.36152   -49.80209
   12    10 S   HC   HB12    12     1.09812   110.45781    66.79840
   13    10 S   CT   _CG1    13     1.52995   112.61058  -170.77405
   14    13 S   HC   HG11    14     1.09582   110.64916   -65.79570
   15    13 S   HC   HG12    15     1.09670   109.77755    53.44298
   16    13 S   C    _CD1    16     1.51801   112.17758   173.89581
   17    16 S   O    _OE1    17     1.22736   123.26689     7.63237
   18    16 S   N    _N2_    18     1.38630   111.69938  -172.45054
   19    18 S   H    _HN2    19     1.01586   118.97274     1.42930
   20    18 S   CT1  _CA2    20     1.46246   123.43137   177.47811
   21    20 S   HC   _HA2    21     1.09734   109.36226     3.98954
   22    20 S   C    _C2_    22     1.53582   108.63537  -111.51366
   23    22 S   O    _O2_    23     1.23051   122.31200  -148.24689
   24    20 S   CT   _CB2    32     1.53396   111.46609   125.98789
   25    24 S   HC   HB21    33     1.09473   109.55696    56.88581
   26    24 S   HC   HB22    34     1.09459   109.94135   175.66505
   27    22 S   N    _N3_    24     1.38344   113.73699    39.24117
   28    27 S   H    _HN3    25     1.01569   119.58925    -3.29640
   29    24 S   S    _SG2    35     1.83377   111.03858   -64.62715
   30    27 S   CT   _CA3    26     1.45282   123.22500   177.16158
   31    30 S   HC   HA31    27     1.09548   107.51026   -64.72315
   32    30 S   HC   HA32    28     1.09557   107.99132    51.72300
   33    29 S   CT   _C15    36     1.87788   101.24742   170.71882
   34    30 S   CO3  _C3_    29     1.52964   114.06740   173.72446
   35    34 S   O2Z  _O31    30     1.26378   116.06989    -0.47437
   36    34 S   O2Z  _O32    31     1.26429   114.41220   179.58316
   37    33 S   CM   _C10    37     1.49690   107.27215    60.27171
   38    37 S   HC   _H25    38     1.09375   114.49411    49.75120
   39    33 S   CT   _C19    55     1.55981   107.65500   179.87180
   40    39 S   HC   _H35    56     1.09921   109.41697   -58.91593
   41    37 S   CMA  _C11    39     1.35114   128.82476  -129.97829
   42    41 S   OM   _O17    40     1.26660   123.88505   178.11404
   43    39 S   CT   _C18    57     1.54213   114.02273   179.30959
   44    43 S   HC   _H33    58     1.09560   110.66048    51.20010
   45    43 S   HC   _H34    59     1.09365   110.32124   -66.34311
   46    39 S   OH   _O21    71     1.43437   110.54842    58.44074
   47    46 S   HO   _H38    72     0.97330   107.13520   -50.23708
   48    41 S   CA   _C6_    41     1.52116   114.82289    -2.95837
   49    43 S   CM   _C13    60     1.50773   111.78334   169.92223
   50    49 S   HC   _H26    61     1.08955   113.95982   -73.62373
   51    48 S   CA   _C7_    42     1.41400   122.02922    10.37251
   52    49 S   CM   _C14    62     1.34676   127.92759   107.47551
   53    51 S   CA   _C9_    43     1.41299   120.76464   179.23511
   54    33 S   CO4  _C12    53     1.52305   107.36451   -60.99631
   55    54 S   O    _O18    54     1.23052   122.19152   -44.12903
   56    52 S   CT   _C16    63     1.50562   120.43720   178.48716
   57    56 S   HC   _H27    64     1.09495   110.28473   119.17245
   58    56 S   HC   _H28    65     1.09498   110.20395  -121.01012
   59    56 S   HC   _H29    66     1.09511   112.41983    -0.96103
   60    52 S   CT   _C17    67     1.50277   125.19336    -2.19731
   61    60 S   HC   _H30    68     1.09484   110.07575   114.36345
   62    60 S   HC   _H31    69     1.09202   113.62653    -6.75830
   63    60 S   HC   _H32    70     1.09545   110.02680  -126.37573
   64    53 S   CA   _C5_    44     1.39028   121.15724     0.30326
   65    64 S   HA   _H24    45     1.08625   120.67349   179.77883
   66    53 S   OH   _O20    51     1.37103   123.81445   179.59170
   67    66 S   HO   _H37    52     0.97351   108.98296     2.82383
   68    64 S   CA   _C4_    46     1.38392   119.40201     0.03956
   69    68 S   HA   _H23    47     1.08672   119.76534   179.76427
   70    48 S   CA   _C8_    48     1.42219   121.87871  -169.95241
   71    70 S   OH   _O19    49     1.37484   123.37903     1.03665
   72    71 S   HO   _H36    50     0.97537   107.48670    -2.36877
  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  11   5   4   3
  17   2   1   1  12   5  13   7   8   3  10   5   4   3   1  11
  10   3  10   8   9   4   1   7   3   2   1   3   2   1   1   7
   4   2   1   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    51    54    55    39    40    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    48    51    53    54    55    39    40    43    44    45    49    46    47  
   35    36  
   36  
    0  
   38    41    42    48    51    70    54    55    39    40    43    46  
   41    42    48    54    39  
   40    43    44    45    49    50    52    46    47    41    51    54    55  
   43    44    45    49    46    47    54  
   42    48    51    53    68    70    71    54  
   48    51    70  
   44    45    49    50    52    56    60    46    47    54  
   45    49    50    52    46  
   49    50    52    46  
   47    49    54  
    0  
   51    53    64    68    69    70    71    72    66    54    55  
   50    52    56    57    58    59    60    61    62    63  
   52    56    60  
   53    64    65    68    70    71    66    67    54    55  
   56    57    58    59    60    61    62    63  
   64    65    68    69    70    66    67    54    55  
   55    64    66    70  
    0  
   57    58    59    60    61    62    63  
   58    59    60  
   59    60  
   60  
   61    62    63  
   62    63  
   63  
    0  
   65    68    69    70    71    66    67  
   68    69    70    66  
   67    68  
    0  
   69    70    71    72  
   70    71  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    54   317.000  1.522
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    48   320.000  1.460
   48    51   469.000  1.400
   48    70   469.000  1.400
   51    53   469.000  1.400
   51    54   310.000  1.470
   53    64   469.000  1.400
   53    66   450.000  1.364
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   66    67   553.000  0.945
   54    55   570.000  1.229
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   317.000  1.510
   49    50   340.000  1.080
   49    52   549.000  1.340
   52    56   317.000  1.510
   52    60   317.000  1.510
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    54    75.00000  110.18000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    54    51    65.00000  115.47100
   33    54    55    80.00000  120.40000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    39    46    50.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    48    60.00000  123.20500
   41    37    38    40.00000  120.50800
   41    48    51    60.00000  120.93500
   41    48    70    60.00000  120.93500
   48    41    42    85.00000  114.86500
   48    51    53    63.00000  120.00000
   48    51    54    60.00000  119.52600
   48    70    68    63.00000  120.00000
   48    70    71    70.00000  120.00000
   51    53    64    63.00000  120.00000
   51    53    66    70.00000  120.00000
   51    54    55    75.00000  123.78400
   53    64    65    35.00000  120.00000
   53    64    68    63.00000  120.00000
   53    66    67    35.00000  113.00000
   64    68    69    35.00000  120.00000
   64    68    70    63.00000  120.00000
   68    64    65    35.00000  120.00000
   68    70    71    70.00000  120.00000
   70    48    51    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  113.00000
   66    53    64    70.00000  120.00000
   54    33    37    70.00000  109.06800
   54    51    53    60.00000  119.52600
   39    33    37    70.00000  112.02700
   39    33    54    63.00000  111.10000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    49    70.00000  112.02700
   39    46    47    55.00000  108.50000
   43    39    40    37.50000  110.70000
   43    49    50    35.00000  117.00000
   43    49    52    70.00000  124.00000
   45    43    44    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
   49    52    56    70.00000  124.00000
   49    52    60    70.00000  124.00000
   52    49    50    35.00000  120.00000
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   52    60    61    35.00000  109.50000
   52    60    62    35.00000  109.50000
   52    60    63    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    52    56    65.00000  117.92700
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   46    39    40    35.00000  109.50000
   46    39    43    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    54    51   0.65300  1.0 1.0
   29    33    54    51  -0.03850 -1.0 2.0
   29    33    54    51   0.33900  1.0 3.0
   29    33    54    55   0.30150 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    48   7.00000 -1.0 2.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    49   0.34400  1.0 1.0
   33    39    43    49   0.09450 -1.0 2.0
   33    39    43    49   0.11100  1.0 3.0
   33    39    46    47  -0.11600  1.0 1.0
   33    39    46    47  -0.09450 -1.0 2.0
   33    39    46    47   0.21250  1.0 3.0
   37    33    54    51   0.65300  1.0 1.0
   37    33    54    51  -0.03850 -1.0 2.0
   37    33    54    51   0.33900  1.0 3.0
   37    33    54    55   0.30150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.34400  1.0 1.0
   37    33    39    43   0.09450 -1.0 2.0
   37    33    39    43   0.11100  1.0 3.0
   37    33    39    46   1.05650  1.0 1.0
   37    33    39    46   0.15600 -1.0 2.0
   37    33    39    46   0.53150  1.0 3.0
   37    41   -48    51   0.15800  1.0 1.0
   37    41   -48    51   1.85350 -1.0 2.0
   37    41   -48    51  -0.48700  1.0 3.0
   37    41    48    70   0.15800  1.0 1.0
   37    41    48    70   1.85350 -1.0 2.0
   37    41    48    70  -0.48700  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    48   7.00000 -1.0 2.0
   41    48    51    53   3.62500 -1.0 2.0
   41    48    51    54   3.62500 -1.0 2.0
   41    48    70    68   3.62500 -1.0 2.0
   41    48    70    71   3.62500 -1.0 2.0
   42    41    48    51  -0.01750  1.0 1.0
   42    41    48    51  -0.32000 -1.0 2.0
   42    41    48    51   0.00600  1.0 3.0
   42    41    48    70  -0.01750  1.0 1.0
   42    41    48    70  -0.32000 -1.0 2.0
   42    41    48    70   0.00600  1.0 3.0
   48    51    53    64   3.62500 -1.0 2.0
   48    51    53    66   3.62500 -1.0 2.0
   48    51   -54    33   2.26350  1.0 1.0
   48    51   -54    33   0.76750 -1.0 2.0
   48    51   -54    33   0.22500  1.0 3.0
   48    51    54    55   1.05000 -1.0 2.0
   48    70    71    72   0.84100 -1.0 2.0
   51    48    70    68   3.62500 -1.0 2.0
   51    48    70    71   3.62500 -1.0 2.0
   51    53    64    65   3.62500 -1.0 2.0
   51    53   -64    68   3.62500 -1.0 2.0
   51    53    66    67   0.84100 -1.0 2.0
   53    51    54    33   2.26350  1.0 1.0
   53    51    54    33   0.76750 -1.0 2.0
   53    51    54    33   0.22500  1.0 3.0
   53    51    54    55   1.05000 -1.0 2.0
   53    64    68    69   3.62500 -1.0 2.0
   53    64    68    70   3.62500 -1.0 2.0
   64    53    66    67   0.84100 -1.0 2.0
   64    68   -70    48   3.62500 -1.0 2.0
   64    68    70    71   3.62500 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    70   3.62500 -1.0 2.0
   68    70    71    72   0.84100 -1.0 2.0
   69    68    70    48   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   70    48   -51    53   3.62500 -1.0 2.0
   70    48    51    54   3.62500 -1.0 2.0
   66    53    64    65   3.62500 -1.0 2.0
   66    53    64    68   3.62500 -1.0 2.0
   54    33    37    38   0.00000  1.0 1.0
   54    33   -37    41  -0.51250  1.0 1.0
   54    33   -37    41  -0.88800 -1.0 2.0
   54    33   -37    41   0.08850  1.0 3.0
   54    33    39    40  -0.11250  1.0 3.0
   54    33    39    43  -0.95700  1.0 1.0
   54    33    39    43  -0.18200 -1.0 2.0
   54    33    39    43   0.29450  1.0 3.0
   54    33    39    46  -0.09450  1.0 1.0
   54    33    39    46  -1.12950 -1.0 2.0
   54    33    39    46   0.54000  1.0 3.0
   54    51    53    64   3.62500 -1.0 2.0
   54    51    53    66   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    54    51   0.05850 -1.0 2.0
   39    33    54    51   0.17250  1.0 3.0
   39    33    54    55   0.30150 -1.0 2.0
   39    43    49    50   0.00000  1.0 1.0
   39    43    49    52   0.09850  1.0 1.0
   39    43    49    52   0.15250 -1.0 2.0
   39    43    49    52  -0.50650  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    49   0.15000  1.0 3.0
   40    39    46    47   0.19450  1.0 3.0
   43    39    46    47  -0.11600  1.0 1.0
   43    39    46    47  -0.09450 -1.0 2.0
   43    39    46    47   0.21250  1.0 3.0
   43    49    52    56   7.00000 -1.0 2.0
   43    49    52    60   7.00000 -1.0 2.0
   44    43    49    50   0.33100  1.0 3.0
   44    43    49    52   0.00000  1.0 1.0
   45    43    49    50   0.33100  1.0 3.0
   45    43    49    52   0.00000  1.0 1.0
   49    52    56    57   0.00000  1.0 1.0
   49    52    56    58   0.00000  1.0 1.0
   49    52    56    59   0.00000  1.0 1.0
   49    52    60    61   0.00000  1.0 1.0
   49    52    60    62   0.00000  1.0 1.0
   49    52    60    63   0.00000  1.0 1.0
   50    49    52    56   7.00000 -1.0 2.0
   50    49    52    60   7.00000 -1.0 2.0
   56    52    60    61   0.34800  1.0 3.0
   56    52    60    62   0.34800  1.0 3.0
   56    52    60    63   0.34800  1.0 3.0
   60    52    56    57   0.34800  1.0 3.0
   60    52    56    58   0.34800  1.0 3.0
   60    52    56    59   0.34800  1.0 3.0
   46    39    43    44   0.23400  1.0 3.0
   46    39    43    45   0.23400  1.0 3.0
   46    39    43    49   1.05650  1.0 1.0
   46    39    43    49   0.15600 -1.0 2.0
   46    39    43    49   0.53150  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   48    42    41    37   1.10000 -1.0 2.0
   51    70    48    41   4.00000 -1.0 2.0
   53    54    51    48   4.00000 -1.0 2.0
   64    66    53    51   4.00000 -1.0 2.0
   68    65    64    53   1.10000 -1.0 2.0
   70    69    68    64   1.10000 -1.0 2.0
   68    71    70    48   4.00000 -1.0 2.0
   33    51    54    55  10.50000 -1.0 2.0
   43    50    49    52  15.00000 -1.0 2.0
   56    60    52    49  15.00000 -1.0 2.0
END
