* LIGAND DATABASE FILE (OPLS2005)
*
001      71    74    128    213     379
    1     0 S   NP   _N1_     1    31.48466   101.15631   -21.92763
    2     1 S   H    _HN1     2     1.02751    33.39568   -65.82857
    3     1 S   H    _H1_     3     1.02884    86.18425   163.47896
    4     1 S   H    _H2_     4     1.03494   140.39887   -83.36606
    5     1 S   CT   _CA1     5     1.50451    97.07191    53.56580
    6     5 S   HC   _HA1     6     1.09699   104.25012   152.23376
    7     5 S   CO3  _C1_     7     1.54324   111.71187    36.64742
    8     7 S   O2Z  _O11     8     1.26039   116.64632  -130.59739
    9     7 S   O2Z  _O12     9     1.26607   113.88461    48.86108
   10     5 S   CT   _CB1    10     1.53239   106.92253   -91.69081
   11    10 S   HC   HB11    11     1.09596   109.71502   -39.26078
   12    10 S   HC   HB12    12     1.09784   110.11769    76.50121
   13    10 S   CT   _CG1    13     1.53131   112.54460  -161.79900
   14    13 S   HC   HG11    14     1.09540   110.99823   -99.71305
   15    13 S   HC   HG12    15     1.09319   110.89325    19.27260
   16    13 S   C    _CD1    16     1.51454   110.37912   140.00492
   17    16 S   O    _OE1    17     1.22809   121.75636    86.47055
   18    16 S   N    _N2_    18     1.38582   112.72991   -90.90187
   19    18 S   H    _HN2    19     1.01584   119.22996    -3.09231
   20    18 S   CT1  _CA2    20     1.46141   123.33930   173.99799
   21    20 S   HC   _HA2    21     1.09702   109.22012    -5.81800
   22    20 S   C    _C2_    22     1.53813   109.22149  -121.63985
   23    22 S   O    _O2_    23     1.23103   121.92095  -157.85055
   24    20 S   CT   _CB2    32     1.53377   111.96772   116.50645
   25    24 S   HC   HB21    33     1.09381   109.99042    60.09042
   26    24 S   HC   HB22    34     1.09558   110.12804   177.24111
   27    22 S   N    _N3_    24     1.38259   114.27283    28.64520
   28    27 S   H    _HN3    25     1.01451   119.23328    -2.07273
   29    24 S   S    _SG2    35     1.82843   112.68859   -64.09874
   30    27 S   CT   _CA3    26     1.45345   123.23527   178.04415
   31    30 S   HC   HA31    27     1.09553   107.18665   -70.31184
   32    30 S   HC   HA32    28     1.09557   108.26555    46.05487
   33    29 S   CT   _C20    36     1.84830   100.16469   127.23860
   34    33 S   HC   _H3_    37     1.09540   106.49166    41.98490
   35    30 S   CO3  _C3_    29     1.52967   114.37196   168.09668
   36    35 S   O2Z  _O31    30     1.26419   116.25311    -8.08398
   37    35 S   O2Z  _O32    31     1.26395   114.49012   172.07038
   38    33 S   CA   _C11    38     1.52434   110.61218   -78.58391
   39    33 S   CT   _C21    64     1.54080   108.22602   156.39816
   40    39 S   HC   _H13    65     1.09761   110.14515   -53.52792
   41    39 S   HC   _H14    66     1.09546   111.41711    66.05923
   42    38 S   CA   _C10    39     1.40323   120.50653   -68.76810
   43    42 S   HA   _H8_    40     1.08906   119.43403     0.22117
   44    38 S   CA   _C12    61     1.40650   121.64037   111.10215
   45    39 S   CO4  _C22    67     1.51477   112.60779  -171.81487
   46    45 S   O    _O34    68     1.22438   125.37889    15.90218
   47    42 S   CA   _C9_    41     1.40119   121.73500   179.52358
   48    44 S   OH   _O33    62     1.37439   117.08882     1.68980
   49    48 S   HO   _H12    63     0.97047   109.21010   151.05457
   50    45 S   CO3  _C23    69     1.50872   119.86856  -166.28129
   51    50 S   O2Z  _O36    70     1.26659   116.44280   175.91937
   52    50 S   O2Z  _O35    71     1.26619   115.41709    -4.10627
   53    47 S   CA   _C8_    42     1.40101   120.63467  -179.93147
   54    53 S   HA   _H7_    43     1.08830   120.55941    -0.93545
   55    47 S   CR3  _C14    59     1.41364   119.70445    -1.03022
   56    53 S   CA   _C7_    44     1.39428   120.88482   178.58238
   57    56 S   HA   _H6_    45     1.08796   118.77732  -179.59074
   58    59 S   CR3  _C15    60     1.41517   119.29344     0.25944
   59    56 S   CA   _C6_    46     1.39868   120.61459    -0.19077
   60    59 S   CA   _C5_    47     1.40233   121.11465  -179.35109
   61    60 S   HA   _H5_    48     1.08786   120.59526    -0.00000
   62    60 S   CA   _C4_    49     1.39285   120.58465   179.45715
   63    62 S   HA   _H4_    50     1.08622   119.95070  -179.58082
   64    62 S   CA   _C17    51     1.39284   120.06426    -0.04423
   65    64 S   HA   _H9_    52     1.08785   118.79979  -179.61539
   66    64 S   CA   _C16    53     1.40256   120.56376     0.07913
   67    66 S   CA   _C18    54     1.39656   121.24412  -179.53312
   68    67 S   HA   _H10    55     1.08814   120.59933     0.12033
   69    67 S   CA   _C19    56     1.39674   120.67486   179.77794
   70    69 S   HA   _H11    57     1.08728   117.12668  -178.89323
   71    69 S   CA   _C13    58     1.41152   121.71046     0.24469
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  14   9   4   3  10   4   9   4   3  10   4
   1   2   1   1   8   4  10   7   3  11   8   6   3   5   3   5
   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    44    39    40    41    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    71    44    48    39    40    41    45    46    50  
   38    42    44    39    40    41    45  
   36    37  
   37  
    0  
   42    43    47    53    69    71    55    44    48    49    39    40    41    45  
   40    41    45    46    50    51    52    42    44  
   41    45    46    50  
   45    46    50  
   43    47    53    54    56    71    55    58    44    48  
   47    53    55    44  
   48    49    47    55    58    67    69    70    71  
   46    50    51    52  
   50    51    52  
   53    54    56    57    59    66    69    71    55    58  
   49    55    69    71  
   71  
   51    52  
   52  
    0  
   54    56    57    59    60    71    55    58  
   56    57    59    55  
   58    56    59    60    64    66    67    69    70    71  
   57    59    60    61    62    66    58  
   59    60    58  
   59    60    61    62    64    65    66    67    68    69    71  
   60    61    62    63    64    66    67    71  
   61    62    63    64    65    66  
   62    63    64  
   63    64    65    66    67  
   64    65    66  
   65    66    67    68    69  
   66    67  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   38    42   469.000  1.400
   38    44   469.000  1.400
   42    43   367.000  1.080
   42    47   469.000  1.400
   47    53   469.000  1.400
   47    55   490.000  1.398
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   367.000  1.080
   56    59   469.000  1.400
   59    60   469.000  1.400
   59    58   490.000  1.398
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.400
   66    58   490.000  1.398
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    55   490.000  1.398
   71    44   469.000  1.400
   55    58   490.000  1.398
   44    48   450.000  1.364
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   317.000  1.522
   45    46   570.000  1.229
   45    50   250.000  1.524
   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  111.63000
   33    38    42    70.00000  120.00000
   33    38    44    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    47    63.00000  120.00000
   38    44    71    63.00000  120.00000
   38    44    48    70.00000  120.00000
   42    47    53    63.00000  120.00000
   42    47    55    70.00000  112.88000
   47    42    43    35.00000  120.00000
   47    53    54    35.00000  120.00000
   47    53    56    63.00000  120.00000
   47    55    71    60.00000  130.80000
   47    55    58    60.00000  130.80000
   53    56    57    35.00000  120.00000
   53    56    59    63.00000  120.00000
   56    53    54    35.00000  120.00000
   56    59    60    63.00000  120.00000
   56    59    58    70.00000  112.88000
   59    56    57    35.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    62    63.00000  120.00000
   59    58    66    60.00000  130.80000
   59    58    55    60.00000  130.80000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    58    70.00000  112.88000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    69    63.00000  120.00000
   66    58    55    60.00000  130.80000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    55    70.00000  112.88000
   69    71    44    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    55    58    60.00000  130.80000
   71    44    48    70.00000  120.00000
   55    47    53    70.00000  112.88000
   58    59    60    70.00000  112.88000
   58    66    67    70.00000  112.88000
   44    38    42    63.00000  120.00000
   44    71    55    70.00000  112.88000
   44    48    49    35.00000  113.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    45    46    80.00000  120.40000
   39    45    50    65.00000  114.64000
   41    39    40    33.00000  107.80000
   45    39    40    35.00000  109.50000
   45    39    41    35.00000  109.50000
   45    50    51    85.00000  112.82000
   45    50    52    85.00000  112.82000
   50    45    46    80.00000  120.92000
   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   0.01700  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    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    38    44  -0.16000  1.0 1.0
   29    33    38    44  -0.03200 -1.0 2.0
   29    33    38    44   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    38    44    71   3.62500 -1.0 2.0
   33    38    44    48   3.62500 -1.0 2.0
   33    39    45    46   0.30150 -1.0 2.0
   33    39    45    50   0.65300  1.0 1.0
   33    39    45    50  -0.03850 -1.0 2.0
   33    39    45    50   0.33900  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    45  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    45   0.56750  1.0 1.0
   38    33    39    45  -0.07550 -1.0 2.0
   38    33    39    45   0.20000  1.0 3.0
   38    42    47    53   3.62500 -1.0 2.0
   38    42    47    55   3.62500 -1.0 2.0
   38    44    48    49   0.84100 -1.0 2.0
   42    38    44    71   3.62500 -1.0 2.0
   42    38    44    48   3.62500 -1.0 2.0
   42    47    53    54   3.62500 -1.0 2.0
   42    47    53    56   3.62500 -1.0 2.0
   42    47   -55    71   3.62500 -1.0 2.0
   42    47    55    58   3.62500 -1.0 2.0
   43    42    47    53   3.62500 -1.0 2.0
   43    42    47    55   3.62500 -1.0 2.0
   47    53    56    57   3.62500 -1.0 2.0
   47    53    56    59   3.62500 -1.0 2.0
   47    55   -58    59   3.62500 -1.0 2.0
   47    55    58    66   3.62500 -1.0 2.0
   53    47    55    71   3.62500 -1.0 2.0
   53    47    55    58   3.62500 -1.0 2.0
   53    56    59    60   3.62500 -1.0 2.0
   53    56   -59    58   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   54    53    56    59   3.62500 -1.0 2.0
   56    59    60    61   3.62500 -1.0 2.0
   56    59    60    62   3.62500 -1.0 2.0
   56    59    58    66   3.62500 -1.0 2.0
   56    59    58    55   3.62500 -1.0 2.0
   57    56    59    60   3.62500 -1.0 2.0
   57    56    59    58   3.62500 -1.0 2.0
   59    60    62    63   3.62500 -1.0 2.0
   59    60    62    64   3.62500 -1.0 2.0
   60    59    58    66   3.62500 -1.0 2.0
   60    59    58    55   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   60    62   -64    66   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   62    64    66    58   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    67    68   3.62500 -1.0 2.0
   64    66    67    69   3.62500 -1.0 2.0
   64    66   -58    59   3.62500 -1.0 2.0
   64    66    58    55   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    58   3.62500 -1.0 2.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67    69    71   3.62500 -1.0 2.0
   67    66    58    59   3.62500 -1.0 2.0
   67    66    58    55   3.62500 -1.0 2.0
   67    69   -71    55   3.62500 -1.0 2.0
   67    69    71    44   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    55    47   3.62500 -1.0 2.0
   69    71    55    58   3.62500 -1.0 2.0
   69    71    44    38   3.62500 -1.0 2.0
   69    71    44    48   3.62500 -1.0 2.0
   70    69    71    55   3.62500 -1.0 2.0
   70    69    71    44   3.62500 -1.0 2.0
   71    55    58    59   3.62500 -1.0 2.0
   71    55   -58    66   3.62500 -1.0 2.0
   71    44    48    49   0.84100 -1.0 2.0
   55    47    53    54   3.62500 -1.0 2.0
   55    47   -53    56   3.62500 -1.0 2.0
   55    71   -44    38   3.62500 -1.0 2.0
   55    71    44    48   3.62500 -1.0 2.0
   58    59    60    61   3.62500 -1.0 2.0
   58    59   -60    62   3.62500 -1.0 2.0
   58    66    67    68   3.62500 -1.0 2.0
   58    66   -67    69   3.62500 -1.0 2.0
   44    38    42    43   3.62500 -1.0 2.0
   44    38    42    47   3.62500 -1.0 2.0
   44    71   -55    47   3.62500 -1.0 2.0
   44    71    55    58   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    44   0.04150 -1.0 2.0
   39    45    50    51   0.49600 -1.0 2.0
   39    45    50    52   0.49600 -1.0 2.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    50   0.00000  1.0 1.0
   41    39    45    46   0.00000  1.0 1.0
   41    39    45    50   0.00000  1.0 1.0
   46    45    50    51   0.06100 -1.0 2.0
   46    45    50    52   0.06100 -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
   42    44    38    33   4.00000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   53    55    47    42   4.00000 -1.0 2.0
   56    54    53    47   1.10000 -1.0 2.0
   59    57    56    53   1.10000 -1.0 2.0
   60    58    59    56   4.00000 -1.0 2.0
   62    61    60    59   1.10000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   67    58    66    64   4.00000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   55    44    71    69   4.00000 -1.0 2.0
   71    58    55    47   4.00000 -1.0 2.0
   66    55    58    59   4.00000 -1.0 2.0
   71    48    44    38   4.00000 -1.0 2.0
   39    50    45    46  10.50000 -1.0 2.0
   51    45    50    52  10.50000 -1.0 2.0
END
