* LIGAND DATABASE FILE (OPLS2005)
*
001      70    73    125    209     370
    1     0 S   NP   _N1_     1    30.76996    89.34598   -20.94764
    2     1 S   H    _HN1     2     1.02811   106.60177   -55.08941
    3     1 S   H    _H1_     3     1.02976   122.96047    70.35482
    4     1 S   H    _H2_     4     1.02809    17.67947    41.86330
    5     1 S   CT   _CA1     5     1.50240    96.07689  -170.41499
    6     5 S   HC   _HA1     6     1.09549   105.28398    50.23621
    7     5 S   CO3  _C1_     7     1.53727   112.51157   -70.35807
    8     7 S   O2Z  _O11     8     1.26377   115.03706   -41.73417
    9     7 S   O2Z  _O12     9     1.26232   114.95418   137.38133
   10     5 S   CT   _CB1    10     1.52834   107.21570   168.40480
   11    10 S   HC   HB11    11     1.09689   109.11408   -47.90693
   12    10 S   HC   HB12    12     1.09790   110.33494    68.45487
   13    10 S   CT   _CG1    13     1.52984   113.40676  -168.57137
   14    13 S   HC   HG11    14     1.09476   111.22993   -60.84648
   15    13 S   HC   HG12    15     1.09573   110.87924    58.60841
   16    13 S   C    _CD1    16     1.51449   108.92152   177.45786
   17    16 S   O    _OE1    17     1.22874   121.58303   -77.84693
   18    16 S   N    _N2_    18     1.38370   113.22080    99.66837
   19    18 S   H    _HN2    19     1.01528   119.32094     7.57515
   20    18 S   CT1  _CA2    20     1.46237   123.36461  -171.41968
   21    20 S   HC   _HA2    21     1.09610   108.62578    14.92564
   22    20 S   C    _C2_    22     1.53653   110.31951  -100.89413
   23    22 S   O    _O2_    23     1.23148   122.03532  -147.85337
   24    20 S   CT   _CB2    32     1.53845   111.62941   136.26301
   25    24 S   HC   HB21    33     1.09684   109.23307    74.76346
   26    24 S   HC   HB22    34     1.09542   110.75078  -168.65735
   27    22 S   N    _N3_    24     1.38261   114.31080    39.49783
   28    27 S   H    _HN3    25     1.01534   119.86805    -2.44705
   29    24 S   S    _SG2    35     1.83129   115.48417   -43.69747
   30    27 S   CT   _CA3    26     1.45315   122.85922   176.94431
   31    30 S   HC   HA31    27     1.09561   107.45751   -64.45221
   32    30 S   HC   HA32    28     1.09565   107.98024    51.89688
   33    29 S   CT   _C20    36     1.84981   101.28837   -67.04277
   34    33 S   HC   _H3_    37     1.08542   102.94763    37.52522
   35    30 S   CO3  _C3_    29     1.52887   114.34888   173.92194
   36    35 S   O2Z  _O31    30     1.26328   116.14615    -1.97001
   37    35 S   O2Z  _O32    31     1.26454   114.36968   178.12122
   38    33 S   CA   _C12    38     1.53505   111.71725   154.03630
   39    33 S   CM   _C21    64     1.50971   109.95579   -79.30020
   40    39 S   HC   _H12    65     1.08954   116.30653   -60.90224
   41    38 S   CA   _C13    39     1.42270   121.90192  -123.17720
   42    38 S   CA   _C11    59     1.41146   120.91230    55.84993
   43    39 S   CMA  _C22    66     1.34917   124.87913   118.82483
   44    43 S   OM   _O35    67     1.26051   134.53555     0.06561
   45    41 S   CM   _C19    40     1.48387   123.18741    -6.69492
   46    45 S   HC   _H11    41     1.08214   120.22165    -5.17513
   47    42 S   OH   _O36    60     1.37250   119.94421     5.08723
   48    47 S   HO   _H13    61     0.97157   109.44062   179.43317
   49    41 S   CR3  _C14    62     1.42947   120.65389   173.64664
   50    43 S   CO3  _C23    68     1.54999   111.19117  -179.78420
   51    50 S   O2Z  _O34    69     1.26773   115.36669    88.83817
   52    50 S   O2Z  _O33    70     1.26770   115.39482   -89.73147
   53    45 S   CM   _C18    42     1.34109   122.18943   176.53005
   54    53 S   HC   _H10    43     1.08490   120.41754   179.61743
   55    56 S   CR3  _C15    63     1.40853   118.83592     2.07613
   56    53 S   CA   _C16    44     1.46448   120.72035     0.86117
   57    56 S   CA   _C17    45     1.39900   120.42112  -178.87482
   58    57 S   HA   _H9_    46     1.08729   120.79405     0.83369
   59    57 S   CA   _C4_    47     1.39183   120.03198  -178.90122
   60    59 S   HA   _H4_    48     1.08643   119.98929   179.88297
   61    59 S   CA   _C5_    49     1.39392   120.04811     0.23155
   62    61 S   HA   _H5_    50     1.08817   118.75508   179.67857
   63    61 S   CA   _C6_    51     1.40363   120.66250    -0.24708
   64    63 S   CA   _C7_    52     1.39746   121.09773   180.00000
   65    64 S   HA   _H6_    53     1.08797   120.73907    -0.41164
   66    64 S   CA   _C8_    54     1.39323   120.42607   179.75371
   67    66 S   HA   _H7_    55     1.08844   118.58085   179.79064
   68    66 S   CA   _C9_    56     1.40161   120.84193    -0.50668
   69    68 S   CA   _C10    57     1.39475   120.47440  -179.70591
   70    69 S   HA   _H8_    58     1.08837   119.83852    -1.38098
  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   8   5   4   3
  13   6   2   1   1  15   8   3  13   8   4   3   8   4   4   1
  12   2   1   1   7   3  12   8   6   3   5   3   5   2   5   5
   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    42    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    45    69    42    47    49    39    40    43    44    50  
   38    41    42    39    40    43  
   36    37  
   37  
    0  
   41    45    46    53    68    69    70    42    47    48    49    55    39    40    43  
   40    43    44    50    51    52    41    42  
   43    44    50  
   45    46    53    54    56    63    66    68    69    42    47    49    55  
   47    48    49    45    66    68    69    70  
   44    50    51    52  
   50    51    52  
   46    53    54    56    57    68    49    55  
   53    54    56    49  
   48    68    69    70  
   69  
   55    53    56    57    61    63    64    66    67    68    69    70  
   51    52  
   52  
    0  
   54    56    57    58    59    63    55  
   56    57    55  
   56    57    58    59    61    62    63    64    65    66    68    69  
   57    58    59    60    61    63    64    68  
   58    59    60    61    62    63  
   59    60    61  
   60    61    62    63    64  
   61    62    63  
   62    63    64    65    66  
   63    64  
   64    65    66    67    68  
   65    66    67    68    69  
   66    67    68  
   67    68    69    70  
   68    69  
   69    70  
   70  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    42   469.000  1.400
   41    45   320.000  1.460
   41    49   490.000  1.398
   45    46   340.000  1.080
   45    53   549.000  1.340
   53    54   340.000  1.080
   53    56   320.000  1.460
   56    57   469.000  1.400
   56    55   490.000  1.398
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   469.000  1.400
   63    55   490.000  1.398
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   469.000  1.400
   68    49   490.000  1.398
   69    70   367.000  1.080
   69    42   469.000  1.400
   42    47   450.000  1.364
   47    48   553.000  0.945
   49    55   490.000  1.398
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    50   230.000  1.545
   50    51   656.000  1.250
   50    52   656.000  1.250
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    42    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    45    60.00000  120.93500
   38    41    49    70.00000  112.88000
   38    42    69    63.00000  120.00000
   38    42    47    70.00000  120.00000
   41    45    46    40.00000  117.26300
   41    45    53    60.00000  123.20500
   41    49    68    60.00000  130.80000
   41    49    55    60.00000  130.80000
   45    53    54    35.00000  120.00000
   45    53    56    60.00000  123.20500
   53    45    46    35.00000  120.00000
   53    56    57    60.00000  120.93500
   53    56    55    60.00000  120.93500
   56    53    54    40.00000  117.26300
   56    57    58    35.00000  120.00000
   56    57    59    63.00000  120.00000
   56    55    63    60.00000  130.80000
   56    55    49    60.00000  130.80000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    63.00000  120.00000
   61    63    55    70.00000  112.88000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    66    63.00000  120.00000
   63    55    49    60.00000  130.80000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    63.00000  120.00000
   66    68    49    70.00000  112.88000
   68    66    67    35.00000  120.00000
   68    69    70    35.00000  120.00000
   68    69    42    63.00000  120.00000
   68    49    55    60.00000  130.80000
   69    42    47    70.00000  120.00000
   42    38    41    63.00000  120.00000
   42    69    70    35.00000  120.00000
   42    47    48    35.00000  113.00000
   49    41    45    60.00000  120.93500
   49    68    69    70.00000  112.88000
   55    56    57    70.00000  112.88000
   55    63    64    70.00000  112.88000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    50    55.00000  124.75400
   43    39    40    40.00000  120.50800
   43    50    51    85.00000  113.83300
   43    50    52    85.00000  113.83300
   50    43    44    65.00000  121.00000
   52    50    51    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    41    49   3.62500 -1.0 2.0
   33    38    42    69   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    50   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   0.56550  1.0 3.0
   38    41    45    53   0.15800  1.0 1.0
   38    41    45    53   1.85350 -1.0 2.0
   38    41    45    53  -0.48700  1.0 3.0
   38    41    49    68   3.62500 -1.0 2.0
   38    41    49    55   3.62500 -1.0 2.0
   38    42    47    48   0.84100 -1.0 2.0
   41    38    42    69   3.62500 -1.0 2.0
   41    38    42    47   3.62500 -1.0 2.0
   41    45    53    54   7.00000 -1.0 2.0
   41    45    53    56   7.00000 -1.0 2.0
   41    49   -55    56   3.62500 -1.0 2.0
   41    49    55    63   3.62500 -1.0 2.0
   45    41    49    68   3.62500 -1.0 2.0
   45    41    49    55   3.62500 -1.0 2.0
   45    53    56    57   0.15800  1.0 1.0
   45    53    56    57   1.85350 -1.0 2.0
   45    53    56    57  -0.48700  1.0 3.0
   45    53   -56    55   0.15800  1.0 1.0
   45    53   -56    55   1.85350 -1.0 2.0
   45    53   -56    55  -0.48700  1.0 3.0
   46    45    53    54   7.00000 -1.0 2.0
   46    45    53    56   7.00000 -1.0 2.0
   53    56    57    58   3.62500 -1.0 2.0
   53    56    57    59   3.62500 -1.0 2.0
   53    56    55    63   3.62500 -1.0 2.0
   53    56    55    49   3.62500 -1.0 2.0
   54    53    56    57   0.56550  1.0 3.0
   54    53    56    55   0.56550  1.0 3.0
   56    57    59    60   3.62500 -1.0 2.0
   56    57    59    61   3.62500 -1.0 2.0
   57    56    55    63   3.62500 -1.0 2.0
   57    56    55    49   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   57    59   -61    63   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   59    61    63    55   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63    64    65   3.62500 -1.0 2.0
   61    63    64    66   3.62500 -1.0 2.0
   61    63   -55    56   3.62500 -1.0 2.0
   61    63    55    49   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    55   3.62500 -1.0 2.0
   63    64    66    67   3.62500 -1.0 2.0
   63    64    66    68   3.62500 -1.0 2.0
   64    63    55    56   3.62500 -1.0 2.0
   64    63    55    49   3.62500 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66   -68    49   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    69    70   3.62500 -1.0 2.0
   66    68    69    42   3.62500 -1.0 2.0
   66    68    49    41   3.62500 -1.0 2.0
   66    68    49    55   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    49   3.62500 -1.0 2.0
   68    69   -42    38   3.62500 -1.0 2.0
   68    69    42    47   3.62500 -1.0 2.0
   68    49    55    56   3.62500 -1.0 2.0
   68    49   -55    63   3.62500 -1.0 2.0
   69    68   -49    41   3.62500 -1.0 2.0
   69    68    49    55   3.62500 -1.0 2.0
   69    42    47    48   0.84100 -1.0 2.0
   70    69    42    38   3.62500 -1.0 2.0
   70    69    42    47   3.62500 -1.0 2.0
   42    38    41    45   3.62500 -1.0 2.0
   42    38    41    49   3.62500 -1.0 2.0
   49    41    45    46   0.56550  1.0 3.0
   49    41   -45    53   0.15800  1.0 1.0
   49    41   -45    53   1.85350 -1.0 2.0
   49    41   -45    53  -0.48700  1.0 3.0
   49    68    69    70   3.62500 -1.0 2.0
   49    68   -69    42   3.62500 -1.0 2.0
   55    56    57    58   3.62500 -1.0 2.0
   55    56   -57    59   3.62500 -1.0 2.0
   55    63    64    65   3.62500 -1.0 2.0
   55    63   -64    66   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    42   0.18050 -1.0 2.0
   39    43    50    51  -0.04000 -1.0 2.0
   39    43    50    51  -0.29050  1.0 3.0
   39    43    50    52  -0.04000 -1.0 2.0
   39    43    50    52  -0.29050  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    50   7.00000 -1.0 2.0
   44    43    50    51   1.68800 -1.0 2.0
   44    43    50    52   1.68800 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    42    38    33   4.00000 -1.0 2.0
   45    49    41    38   4.00000 -1.0 2.0
   41    46    45    53   1.10000 -1.0 2.0
   56    54    53    45   1.10000 -1.0 2.0
   57    55    56    53   4.00000 -1.0 2.0
   59    58    57    56   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   64    55    63    61   4.00000 -1.0 2.0
   66    65    64    63   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   69    49    68    66   4.00000 -1.0 2.0
   42    70    69    68   1.10000 -1.0 2.0
   69    47    42    38   4.00000 -1.0 2.0
   68    55    49    41   4.00000 -1.0 2.0
   63    49    55    56   4.00000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   50    44    43    39  15.00000 -1.0 2.0
   51    43    50    52  10.50000 -1.0 2.0
END
